nanoscience, nanotechnology & beyond - M.MOAM.INFO (2024)

2018

NANOSCIENCE, NANOTECHNOLOGY & BEYOND AMERICAN CHEMICAL SOCIETY National Meeting & Exposition

Aug. 19–23

Boston I MA

PROGRAM BOOK

#ACSBoston

WELCOME

Welcome Letter from ACS President..........................................................4 Presidential Symposia and Events...............................................................5 Welcome Letter from Thematic Chair........................................................6 Opening Session & Welcome Reception................................................... 7 Welcome Letter from Mayor..........................................................................8 Welcome Letter from GBCVB........................................................................9 GENERAL MEETING INFORMATION ACS Operations Offices............................................................................................... 13

ACS Specialty Offices..................................................................................... 14 Attendee Resources........................................................................................ 14 Meeting Policies.................................................................................................15 Registration Information................................................................................ 16 Conduct Policy...................................................................................................17

ACCOMMODATIONS & TRAVELING TO MEETING LOCATIONS

Accommodations............................................................................................. 19 Traveling to Meeting Venues........................................................................ 19 Campus Map...................................................................................................... 20

STUDENT & EDUCATOR ACTIVITIES

Student Program..............................................................................................23

CAREER NAVIGATOR

ACS Career Pathways™ Workshops.......................................................... 25 ACS Professional Education Short Courses.......................................... 25 2018 ACS Leadership Development System Course Offerings..... 25

EXPO & CAREER FAIR HIGHLIGHTS

Exhibitor Workshops...................................................................................... 27

GOVERNANCE & BUSINESS MEETINGS

ACS Board of Directors 2018...................................................................... 29 Board & Council Meetings............................................................................ 30 Committee Meetings....................................................................................... 31

DIVISION MEETINGS & SOCIAL EVENTS......................................................................... 34 TICKETED SOCIAL & SPECIAL EVENTS............................................................................ 41 ACKNOWLEDGEMENTS & APPRECIATION..................................................................... 42 WORKSHOPS............................................................................................................................... 45 EXHIBITOR LIST.......................................................................................................................... 46 TECHNICAL PROGRAM SUMMARY.....................................................................................52 TECHNICAL PROGRAM........................................................................................................... 70 AUTHORS INDEX..................................................................................................................... 254

WELCOME

Table of Contents

VISIT THE ACS EXPOSITION & CAREER FAIR! HALL A, BOSTON CONVENTION & EXHIBITION CENTER

THE NEWLY DESIGNED ACS EXPO FLOOR HAS SOMETHING FOR EVERYONE. • Visit over 250 companies • Attend exhibitor workshops and demonstrations • Network, charge devices, and get social in the Recharge & Social Media Lounge • Visit with recruiters from top companies and hear exciting, lightning-fast presentations at the Career Fair Welcome Reception & Poster Sessions Sunday, August 19 I 5:30 PM – 7:30 PM Expo & Career Fair Hours Visit over 250 companies and learn Monday, August 20 I 9:00 AM – 5:00 PM Tuesday, August 21 I 9:00 AM – 5:00 PM Caffeinate & Communicate! Coffee Breaks Monday, August 20 I 1:00 PM – 3:00 PM Tuesday, August 21 I 3:00 PM – 5:00 PM Meet the ACS President-Elect Candidates Monday, August 20 I 1:00 PM – 4:00 PM

PETER K. DORHOUT I President BONNIE A. CHARPENTIER I President Elect ALLISON A. CAMPBELL I Immediate Past President JOHN E. ADAMS I Chair, Board of Directors THOMAS M. CONNELLY I Executive Director & CEO FLINT H. LEWIS I Secretary & General Counsel BRIAN A. BERNSTEIN I Treasurer & CFO

WELCOME

ACS OFFICERS

American Chemical Society 1155 16th Street, NW, Washington, DC 20036 TEL I 800-227-5558 (US only) 04 202-872-4600 FAX I 202-872-4615 EMAIL I [emailprotected] WEBSITE I www.acs.org The American Chemical Society is a self-governed individual membership organization of members at all degree levels and in all fields of chemistry. The Society provides a broad range of opportunities for peer interaction and career development, regardless of professional or scientific interests. The programs and activities conducted by ACS today are the products of a tradition of excellence in meeting member needs that dates from the Society’s founding in 1876. The American Chemical Society publishes this meeting program as a service to its attendees. Information contained herein is subject to change without notice. While every effort is made to ensure accuracy, ACS makes no warranties, expressed or implied, related to the information. For the official technical program for the 256th National Meeting & Exposition, refer to the ACS Meetings & Events Mobile App.

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WELCOME

Welcome Message from Peter K. Dorhout ACS PRESIDENT Welcome to Boston, and the site of the 256th ACS National Meeting. It is my pleasure to welcome all of you to this beautiful and historic city. Coming here, you join thousands of presenters and attendees to network, learn, and share your science with colleagues as well as welcome new members to your professional community. With the meeting theme of “Nanoscience, Nanotechnology & Beyond,” there are bound to be symposia that pique your interests. On Sunday, I hope you are able to attend the Presidential symposium Moving the Safety Values of the ACS Forward. As many of you know, the safe practice of chemistry is a passion of mine, and I welcome the opportunity to bring even greater focus to this core value of ACS. On Monday, there are several Presidential symposia: Growing with Project SEED, Ion Transport at the Nanoscale, and a symposium organized by the Environmental Division — Synthetic Biology: The State of the Science. Join your colleagues later that evening at the Graduate Education Advisory Postdoctoral Reception, featuring science cartoonist Jorge Cham. On Monday at noon, join your colleagues at the ACS Board of Directors Regular Session featuring Nobel Laureate Sir Fraser Stoddart. Later that afternoon, Jill Millstone from the University of Pittsburgh will present the Kavli Foundation Emerging Leader in Chemistry Lecture on Metal-Ligand Chemistry in Nanoparticle Synthesis and Performance. Following her presentation, Harry Atwater of the California Institute of Technology will give the Fred Kavli Innovations in Chemistry Lecture on Light as Fuel. On Monday afternoon, we will honor and recognize the outstanding accomplishments of our 2018 class of ACS Fellows. Along with the rich technical program, there are a myriad of career development programs for undergraduate and graduate students, postdocs, and chemical professionals. The career fair will provide opportunities for on-site interviews, one-on-one career assistance, and career-related workshops. Don’t forget to stop by the exposition hall featuring several hundred companies showcasing services, instruments, books, and lab equipment. In closing, I’d like to ensure everyone has safety on their mind as they travel and participate in this enormous gathering. Each of us has the responsibility to continue to instill a culture of safety — for ourselves and our colleagues. If you notice an unsafe situation, please take the time to bring it to the attention of someone in the Convention Center or your hotel. I know this will be a tremendously successful meeting, and I thank you all for your contributions. My personal thanks go to our hosts at the Northeastern Section, and the divisional program chairs and symposium chairs responsible for organizing the technical sessions.

PETER K. DORHOUT ACS President

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2018

NANOSCIENCE, NANOTECHNOLOGY & BEYOND

PRESIDENTIAL SYMPOSIA AND EVENTS

AMERICAN CHEMICAL SOCIETY National Meeting & Exposition

Aug. A ug.. 19–23 ug

Boston I MA

acs.org/NationalMeeting

Sponsored and Recommended by the ACS President

Photo: Peter Cutts Photography

256th ACS National Meeting • Boston, MA • August 19-23, 2018

Peter K. Dorhout, Ph.D. ACS President

SATURDAY, AUGUST 18, 2018 11:00 am - 2:00 pm Presidential Outreach Event: ACS Kids Zone – Exploring Our World Through Chemistry [Cosponsored by CCA] (Boston Children’s Museum - 308 Congress Street, Boston, MA)

MONDAY, AUGUST 20, 2018 8:00 am - 4:35 pm Ion Transport at the Nanoscale: Research and Capabilities at the DOE’s Nano Centers [Cosponsored by ANYL, CHAS, COLL, COMSCI, ENFL, ENVR, GEOC & SCHB] Boston Convention & Exhibition Center - Room 103 (Meeting Level 1)

8:30 am - 11:30 am Growing with Project SEED: 50 Years and 10,000+ Students [Cosponsored by SEED, AGFD, AGRO, ANYL, BIOL, BMGT, CARB, CHAS, CINF, COLL, ENFL, ENVR, HIST, I&EC, ORGN, PROF, SCHB, SOCED, WCC & YCC] Sheraton Boston Hotel - Back Bay D (2nd Floor)

8:30 am - 5:00 pm Synthetic Biology: The State of the Science [Sponsored by ENVR and Cosponsored by PRES]

SUNDAY, AUGUST 19, 2018

Boston Convention & Exhibition Center - Room 257 B (Meeting Level 2)

8:30 am - 3:30 pm Moving the Safety Values of the ACS Forward [Cosponsored by

7:00 pm - 8:30 pm Graduate and Postdoctoral Scholars Lecture & Reception – Featuring Cartoonist Jorge Cham

AGFD, ANYL, BIOL, BMGT, CA, CARB, CHAS, CCS, CINF, CPT, COLL, ENFL, ENVR, I&EC, ORGN, PROF, SCHB, WCC & YCC]

Boston Convention & Exhibition Center - Ballroom West (Ballroom Level 3)

Boston Convention & Exhibition Center - Room 103 (Meeting Level 1)

OTHER SYMPOSIA RECOMMENDED BY THE ACS PRESIDENT SUNDAY, AUGUST 19, 2018

TUESDAY, AUGUST 21, 2018

1:00 pm - 3:35 pm Chemistry as a Second Language: Strategies for Global Scientific Communication [Sponsored by YCC and Cosponsored by PRES and IAC]

8:30 a.m. - 6:00 p.m. Advances in Human Space Exploration: Second ACS NASA Symposium [Sponsored by POLY and Cosponsored by PRES]

Westin Boston Waterfront - Marina Ballroom II (Lobby Level)

Westin Boston Waterfront - Grand Ballroom D (Concourse Level); Grand Ballroom A (4:00 pm - 6:00 pm)

1:30 pm - 3:15 pm Importance of LGBTQ+ Role Models & Mentors in Chemical Sciences: A Symposium in Honor of Barbara Belmont [Sponsored by PROF and Cosponsored by PRES, CMA & WCC] Aloft Boston Seaport - Mann 1/2 (First Floor)

MONDAY, AUGUST 20, 2018 9:00 am - 12:05 pm Artificial Intelligence and Its Impact on the Chemical Enterprise [Sponsored by YCC and Cosponsored by PRES] Westin Boston Waterfront - Marina Ballroom II (Lobby Level)

1:30 pm - 4:30 pm Celebrating the Success of an Exchange Program for German & American Chemistry Students [Sponsored by CHED and Cosponsored by PRES, IAC, YCC, ACS Northeastern Local Section, and the German Chemical Society] Seaport Hotel & World Trade Center - Waterfront Ballroom 1A/1B (Ground Floor - Harbor Level)

1:30 pm - 4:45 pm The Role of the Chemical Sciences in Brain Research and the BRAIN Initiative [Sponsored by MPPG and the Kavli Foundation, and Cosponsored by PRES] Boston Convention & Exhibition Center - Room 103 (Meeting Level 1)

5:30 pm - 7:30 pm LGBTQ+ Presidential Reception Sheraton Boston Hotel - Back Bay B (2nd Floor)

WELCOME

Welcome Message from Paul S. Weiss BOSTON THEMATIC CHAIR The 256th ACS National Meeting (Boston, August 19–23) will showcase topics on Nanoscience, Nanotechnology & Beyond. The opening session on Sunday, August 19, will inaugurate the theme “Nanoscience, Nanotechnology & Beyond” with a lecture presented by Dr. Leroy Hood, founding director of the Institute for Systems Biology, Seattle, Washington, and chief science officer of Providence St. Joseph Health, entitled “Opportunities for Nanoscience, Nanotechnology, & Chemistry in the Future of Medicine.” On Monday, August 20, the Fred Kavli Innovations in Chemistry Lecture will be delivered by Dr. Harry Atwater, California Institute of Technology, founding editor-in-chief of ACS Photonics. His lecture, entitled “Light as Fuel,” will address challenges in using light to generate chemical fuels. It will be coupled with the Kavli Foundation Emerging Leader in Chemistry Lecture, delivered by ACS Nano associate editor Prof. Jill Millstone, University of Pittsburgh, on her fascinating work on metal-ligand chemistry in nanoparticle synthesis and performance. You won’t want to miss it! ACS divisions worked to create an amazing program that highlights nanoscience. Twenty divisions are offering more than 90 symposia related to the theme. In addition, our Multidisciplinary Planning Group MPPG, partner divisions, and ACS journal editors added 12 symposia on the theme. Some of the highlights of those symposia include the following: Synthesis & Characterization of Nanomaterials for Sustainable Energy: Stanislaus Wong (SUNY Stony Brook), Hongjin Fan (Nanyang Technological University), and Mato Knez (NanoGUNE Cooperative Research Center). Nanostructured Materials for Energy Harvesting & Storage: Jinsong Huang (UNC), Marina Leite (University of Maryland), and Matthew McDowell (Georgia Tech). Nano in Tissue Engineering: Molly Stevens (Imperial College London) and Ali Khademhosseini (UCLA). The Role of the Chemical Sciences in Brain Research & the BRAIN Initiative: Jonathan Sweedler (University of Illinois) Nanophotonics: Jason Hafner (Rice), Naomi Halas (Rice), and Peter Nordlander (Rice). New Advances in 3D Nanoprinting: Alireza Khademhosseini (MIT) and Gang yu Liu (UC Davis). We look forward to seeing you there!

PAUL S. WEISS, UCLA and ACS Nano Thematic Program Chair

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2018

NANOSCIENCE, NANOTECHNOLOGY & BEYOND

AMERICAN CHEMICAL SOCIETY National Meeting & Exposition

Aug. 19–23

Boston I MA

OPENING SESSION MODERATED BY PAUL WEISS Boston 2018 Thematic Organizer Sunday, August 19, 2018 I 4:00 PM Boston Convention & Exhibition Center — Ballroom West 21st Century Medicine Will Transform Healthcare: Opportunities for Nanoscience and Chemistry LEROY HOOD — Institute for Systems Biology

WELCOME RECEPTION IN THE EXPO & CAREER FAIR Sunday, August 19, 2018 I 5:30 – 7:30 PM Boston Convention & Exhibition Center — Hall A

MPPG SPONSORED THEMATIC PROGRAMMING Synthesis & Characterization of Nanomaterials for Sustainable Energy* Sunday, August 19, and Monday, August 20 Organizers: Hongjin Fan, Mato Knez Presider: Stanislaus Wong Nanostructured Materials for Energy Harvesting & Storage Sunday, August 19 Organizers: Jinsong Huang, Marina Leite, Matthew McDowell Nano in Tissue Engineering Tuesday, August 21 Organizers: Alireza Khademhosseini, Molly Stevens The Role of the Chemical Sciences in Brain Research & the BRAIN Initiative** Tuesday, August 21 Organizer: Jonathan Sweedler Nanophotonics Tuesday, August 21, and Wednesday, August 22 Organizers: Jason Hafner, Naomi Halas, Peter Nordlander New Advances in 3D Nanoprinting Thursday, August 23 Organizers: Alireza Khademhosseini, Gang-Yu Liu *Co-sponsored by the Division of Inorganic Chemistry (INOR) I ** Sponsored by the Kavli Foundation

WELCOME

CITY OF BOSTON • MASSACHUSETTS OFFICE OF THE MAYOR MARTIN J. WALSH

August 19, 2018 Dear Friends, On behalf of the City of Boston, it is my honor to welcome you to the American Chemical Society's national meeting. Thank you for choosing the City of Boston for this important occasion to network among leading professionals in your field and learn the best practices in your industry. While you are here, take some time to relax and explore the city. Dine in our incomparable restaurants; enjoy some of the great history our city has to offer. Please tour our historic neighborhoods like Beacon Hill and our national landmarks such as Faneuil Hall, and the Old State House. From shopping on Newbury Street, to kayaking on the Charles River, I am sure you will enjoy your stay in the City of Boston. Best wishes for an enjoyable event and many more successes in the years to come.

Sincerely, Martin J. Walsh Mayor of Boston

BOSTON CITY HALL • ONE CITY HALL SQUARE • BOSTON • MASSACHUSETTS • 02201 617-635-4500 • www.boston.gov PRINTED ON RECYCLED PAPER •

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WELCOME

GREATER BOSTON CONVENTION & VISITORS BUREAU

August 17, 2018 Dear Attendees August 17, 2018of the American Chemical Society, On behalf of the Greater BostonChemical Convention & Visitor Bureau (GBCVB), it is my pleasure to Dear Attendees of the American Society, welcome the American Chemical Society (ACS) to Boston for the ACS National Meeting & Expo. We Ondelighted behalf of the Greater are to have youBoston here.Convention & Visitor Bureau (GBCVB), it is my pleasure to welcome the American Chemical Society (ACS) to Boston for the ACS National Meeting & Expo. We are delighted to have you Boston is ahere. cosmopolitan city, bustling with innovators and entrepreneurs,global financial and

business leaders, alongside students and tourists from every corner of the globe. Our culinary Boston is a cosmopolitan city, bustling with innovators and entrepreneurs, global financial and business scene is diverse and distinguished, where regionally sourced seafood and farm-to-table offerings leaders, alongside students and tourists from every corner of the globe. Our culinary scene is diverse blend seamlessly eclectic ethnic cuisines. Boston's rich tableau of public art,seamlessly immersivewith and distinguished,with where regionally sourced seafood and farm-to-table offerings blend festivals, iconic cuisines. museums and award-winning companies provide iconic entertainment eclectic ethnic Boston’s rich tableau of theater public art, immersive festivals, museums, and and cultural opportunities meet provide every preference. Please take advantage of your award-winning theater that companies entertainment and cultural opportunities that time meet with every us preference. takeinadvantage your timepremier with us and immerse yourself in one of theconventions. region’s destinations for meetings and and immersePlease yourself one of theofregion's premier destinations for meetings and conventions.

The South BostonWaterfront -also known as the Seaport District -will be your center of The South Boston Waterfront - also known as the Seaport - will be your of activity. The activity . The Seaport is an evolving neighborhood andDistrict its transformati oncenter over the last decade Seaport is an evolving neighborhood and its transformation over the last decade continues. Anchored by continues. Anchored by the Boston Convention and Exhibition Center development continues the Boston projects Convention and Exhibition Center development continues at a blistering pace - with atmore a blistering pace - with more than $4.5 billion in projects inthe pipeline. than $4.5 billion in in the pipeline. The ACS National Meeting & Expo will make its own mark on our city, and we welcome you to join andMeeting contribute to itwill as make well. its Again, the Bureau is here withyou all to your Theour ACSstory National & Expo own mark on our city, andto weassist welcome joinneeds our and please enjoy your in Boston. story and contribute totime it as well. Again, the Bureau is here to assist with all your needs and please enjoy your time in Boston. Pat Moscaritolo

Pat Moscaritolo

PaPat t MoscarIMoscaritolo tolo President President&&CEO CEO GBCVB GBCVB

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The Northeastern Section of the American Chemical Society

GAC, WCC, and NYSCC at the January 2017 monthly meeting

German Exchange Group in Frankfurt

NESACS Education Night Avery Ashdown High School Chemistry Examination Contest Awardees

warmly welcomes you to Boston!

2016 Richards Medal winner Dr. Gabor Somorjai, Mrs. Somorjai and committee

At Museum of Science for 2017 National Chemistry Week

December 2017 Medicinal Chemistry Symposium Speakers and Organizers

Penn’s Master of Chemical Sciences Designed for your success • Practical research experiences and industry connections • Six specialized concentrations for theoretical and technical expertise • Access to state-of-the-art Singh Center for Nanotechnology Visit our booth and discover how Penn’s Master of Chemical Sciences can activate your future.

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Nano Futures and Electronic Structure TM

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IOP Publishing’s home for nanoscale research across all disciplines. nano-futures.org iopscience.org/est

DOWNLOAD THE ACS MEETINGS & EVENTS

MOBILE APP

DOWNLOAD THE OFFICIAL MEETING PROGRAM FOR THE 2018 BOSTON NATIONAL MEETING •

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Build a personalized schedule and bookmark exhibitors

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VISIT I http://app.core-apps.com/acsboston18 SEARCH I Search in Apple or Play stores: ACS Meetings & Events

Welcome to Boston and the 256th National Meeting of the American Chemical Society. During the next five days, you will be among thousands of chemical professionals from around the globe who will share ideas and examine emerging scientific and technical knowledge on Nanoscience, Nanotechnology & Beyond. The meeting organizers have planned an agenda that includes thought-provoking technical sessions and career advancement workshops complemented by a number of social events and networking opportunities. Your meeting registration gives you entry to a range of programming activities, including: • • • • •

Award Presentations Exposition Hall and Career Fair Invited Symposia Scientific and Poster Sessions Special Lectures, Workshops, and Events

Mobile App The South Boston Waterfront area will be the primary meeting location, with technical sessions taking place in the Boston Convention & Exhibition Center(BCEC) and nearby hotels. A few select events will occur in hotels in the city’s Back Bay neighborhood. Be sure to download the ACS Meetings & Events Mobile App and select the 256th ACS National Meeting & Exposition to have the most up-to-date meeting information. Using the app is the best way to stay informed of last-minute program changes. You can also access up-to-date program information and sync your schedule using the Online Planner. Access and download information is available at www.acs.org/ nationalmeeting.

ACS Operations Offices BOSTON CONVENTION & EXHIBITION CENTER

Location: Room 151A/B Beverly Johnson-Hampton, 617-954-3950 ALOFT BOSTON SEAPORT

Location: Tactic 3 Paulette Nowden, 857-444-8323 x8323 BOSTON PARK PLAZA

Location: Hanco*ck Starleetah Gaddis-Parker, 617-457-2339 HILTON BACK BAY

Location: Mariner Nikki Fisher, 617-867-6425 RENAISSANCE BOSTON WATERFRONT HOTEL

Location: Aegean Dianne Ruddy, 617-342-5440 SEAPORT BOSTON

Location: Liberty A Brianna Ortiz, 617-385-4059 & 617-385-4060 SEAPORT WORLD TRADE CENTER

Location: South End Starleetah Gaddis-Parker, 617-385-4920 & 617-385-4922 SHERATON BOSTON

Location: Meeting Planner Office 3rd Floor Nikki Fisher, 617-351-6824 WESTIN WATERFRONT

Location: Revere Sydney Vranna, 617-502-2274

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GENERAL MEETING INFORMATION

General Meeting Information

GENERAL MEETING INFORMATION

General Meeting Information

ACS Specialty Offices ACS JOURNALS OFFICE

Boston Park Plaza Location: Stuart Suite

MOBILE APP HELP DESK

Location: North Lobby NORTHEASTERN LOCAL SECTION

Location: North Lobby 617-954-3413

GOVERNANCE OFFICE

Sheraton Boston Location: Gardner A/B 617-351-6855

PRESS CENTER

HEROES OF CHEMISTRY

SPEAKER READY ROOM

Westin Copley Plaza Location: Empire Suite SOCIETY PROGRAMS OFFICE

Sheraton Boston Location: Fairfax A/B 617-351-6868

ACS Resource Offices All located in the Boston Convention & Exhibition Center ATTENDEE REGISTRATION

Location: North Lobby 617-954-3956 BUS SHUTTLE DESK

Location: North Lobby TMS, 617-954-3414 CAREER FAIR INFORMATION CENTER

Location: Hall A EXHIBITOR REGISTRATION

Location: North Lobby 617-954-3958 HOUSING HELP DESK

Location: North Lobby ConferenceDirect, 617-954-3413 MEMBER LOUNGE

Location: North Lobby 617-954-3412 14

Location: Room 156A Katie Cottingham, 617-954-3960

Location: Room 158

Attendee Resources CAMP ACS

Camp ACS is available to all meeting attendees free of charge from 7:00 AM to 6:00 PM, Sunday, August 19, through Thursday, August 23. If you wish for your child to participate in Camp ACS and you did not complete the registration in advance, go to the BCEC ACS Operations Office to speak with a staff person. Note: There is no guarantee that space is still available. At Camp ACS, children two (and potty trained) to sixteen years of age will participate in ageappropriate activities, including arts and crafts and active games, while you enjoy the meeting. For safety reasons, the location of Camp ACS is communicated only to attendees with enrolled children. EMERGENCIES

ACS has placed detailed instructions inside each meeting room to be used if an emergency occurs during an ACS meeting event. These instructions revolve around following the established

emergency guidelines of the facility where the emergency occurs. Report all emergencies to the nearest security guard or to any ACS Operations Office during the meeting. If an emergency occurs outside an ACS event, contact the police or emergency assistance by dialing 911 or seeking assistance from the facility where the emergency occurs. Should a catastrophic event occur while the meeting is underway, follow safety and security instructions issued by the facility where you are located at the time of the event. LOST & FOUND

Found items delivered to an ACS Operations Office can be retrieved, with acceptable identification, during office operating hours. Items not retrieved by the close of the meeting will be turned over to the venue’s security office. LUGGAGE & COAT CHECK

The luggage and coat check station is in the ACS Resource Hub located in the BCEC. Hours of Operation Saturday, August 18 3:00 PM–7:00 PM

Sunday, August 19 7:30 AM–8:00 PM

Monday, August 20 7:30 AM–9:00 PM

Tuesday, August 21 7:30 AM–9:00 PM

Wednesday, August 22 7:30 AM–6:00 PM

Thursday, August 23 7:30 AM –6:00 PM

Items left beyond the published hours of operation will be turned over to building security at the end of each day. PARENT/INFANT ROOM

For convenience and privacy, ACS has designated a room for parents in the BCEC for nursing, feeding, and changing infants. Please see the staff at the Information Booth in the North Lobby for further information. SALES TAX IN BOSTON

The sales tax rate in Boston is 6.25%. GENERAL TIPPING GUIDELINES

Airport Porters & Bell Staff: $1/bag Bartenders: 15–20%

to as “the Society”), royalty-free permission, including the exclusive worldwide, irrevocable rights in all languages, to reproduce in all formats, including but not limited to print, microfilm, electronic, and/or CD-ROM, likeness as shown in the photograph(s) or recordings taken by official meeting photographers at the American Chemical Society National Meeting & Exposition. Attendees waive the right to inspect or approve any copy that is used in connection with the photographs and release and discharge the Society from any and all claims arising out of use by the Society of the photographs for the purposes described above, including any claims for libel and invasion of privacy.

Restaurant Wait Staff: 18–20%

ADA COMPLIANCE

Housekeeping Staff: $1–2/night

ACS is dedicated to ensuring that no individual with a disability is excluded, denied services, segregated, or otherwise treated differently because of the absence of auxiliary aids and services identified in the Americans with Disabilities Act. If you have an emergency or need immediate assistance during the meeting, please contact any ACS Operations Office.

WI-FI SERVICE

Enjoy free Wi-Fi service in the common areas of the BCEC.

Meeting Policies RECORDING & PHOTO RELEASE POLICIES

The use of any device to capture images (e.g., cameras and camera phones) or sound (e.g., tape and digital recorders) or stream, upload or rebroadcast speakers or presentations is strictly prohibited at all official ACS meetings and events without the express written consent from the ACS. By registering for this public event, attendees grant to the American Chemical Society, its affiliates and licensees (collectively referred

The BCECis ADA compliant. It is equipped with service ramps to entrances and elevated areas, an array of passenger elevators, restroom facilities for the disabled, braille instructions/directions at strategic locations throughout the building, and pay phones located at each level of the facility with (TDD) hearing-impaired functions.

ELECTRONIC DEVICES

As a courtesy to other meeting attendees, electronic devices must be operated in silent/vibrate mode within technical or educational sessions. Cell phone conversations are not permitted in meeting rooms. LITERATURE & PRODUCT DISTRIBUTION

Promotions, posters, and literature distribution by attendees, exhibitors, or other groups during the meeting must be done within their own contracted meeting space or exhibit booth and not in public meeting space, with the exception of designated marketing opportunities. Only ACS Operations Office staff is authorized to place any promotional items in public meeting space. Items left in violation of this policy will be removed and discarded. Literature distribution at specific division tables is under the control of that division, and permission must be secured from the division before placing any items on its table. SMOKING

ACS policy prohibits smoking in all official meeting venue rooms during ACS functions. Additionally, as a reminder, the Convention Center and hotels are self-determined smoke-free environments at all times.

15

GENERAL MEETING INFORMATION

General Meeting Information

GENERAL MEETING INFORMATION

General Meeting Information

Be Mindful & Aware EVERYDAY SAFETY TIPS

• Be aware of your surroundings at all times. • If someone or something looks suspicious, report it and/or avoid it. • Walk in open and well-lit areas at night. • Travel in groups; do not be a loner, particularly in the evening. HOTEL SAFETY & SECURITY

• Use the hotel safe deposit service or the in-room safe for valuables. • If you leave items in your luggage, lock it when you leave the room. • In crowded areas where you can be overheard, do not reveal your room number or discuss plans for leaving the hotel. TO & FROM YOUR ROOM

• If, for any reason, you are uncomfortable going to your room alone, ask a bellman or security officer to escort you and to check the room before you enter. • Do not automatically open your door when someone knocks; use the door peephole to identify visitors before opening the door. • Look into the elevator carefully before you enter. If you are uncertain about an occupant, wait for the next elevator. • Look down the corridor carefully for suspicious activity before leaving the elevator. TO & FROM EVENTS

• Remain alert at all times, and be aware of your surroundings and the people you encounter. • Remove your name badge when you are outside meeting venues.

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Attendee Registration BOSTON CONVENTION & EXHIBITION CENTER, NORTH LOBBY

Hours of Operation

Saturday, August 18 3:00 PM–6:00 PM

Sunday, August 19 7:30 AM–8:00 PM

Monday, August 20 7:30 AM–9:00 PM

Tuesday, August 21 7:30 AM–7:00 PM

Wednesday, August 22 7:30 AM–7:00 PM

Thursday, August 23 7:30 AM–1:00 PM SATELLITE REGISTRATION: SHERATON BOSTON, 2ND FLOOR REGISTRATION DESK

Hours of Operation

Saturday, August 18 3:00 PM–6:00 PM

Sunday, August 19 7:30 AM–8:00 PM

Monday, August 20 7:30 AM–9:00 PM

Tuesday, August 21 7:30 AM–7:00 PM WHAT YOU CAN DO AT THE REGISTRATION DESK

Register for the meeting Register on site or pick up your badge and registration credentials — all who registered after July 9 and all international attendees. Get a replacement badge Make changes to your registration. Bring your badge and/or registration credentials with you for faster processing.

Pick up your advance purchased Program Book. A limited quantity are available for purchase on site, only in the BCEC. Request a scooter Purchase special & social event tickets All attendees, including speakers and poster presenters, MUST register for the meeting to attend or present in technical sessions. BADGE & BADGE REPLACEMENT

Remember to wear your badge at all times for admission to all official ACS events in meeting properties. Meeting badge holders are recyclable and biodegradable. Please discard in the Badge Recycle bins positioned throughout the meeting venues. If you misplace your badge and need a replacement, please go to Attendee Registration at BCEC. The badge replacement fees are: • 1st replacement: free • 2nd: $25 (cash/credit card) • 3rd: $50 (cash/credit card) • 4th & beyond: $100 each occurrence (cash/credit card) CANCELLATION/REFUND

Cancellation/refund requests received by July 30, 2018, will receive a refund, minus a $50 administrative fee. Requests received after July 30, 2018, are not eligible for a refund. Please direct questions regarding refunds to CDS at 508-743-0192 or 800251-8629. Abstract USB drives and Program Books do not qualify for a refund.

®

AMERICAN CHEMICAL SOCIETY Volunteer/National Meeting Attendee Conduct Policy

One of the key strengths of the ACS has been the enduring and varied contributions made by its thousands of dedicated volunteers. Another unassailable strength of the ACS is its outstanding national meetings program. ACS national meetings are among the most respected scientific meetings in the world. ACS national meetings offer scientific professionals a legitimate platform to present, publish, discuss, and exhibit the most exciting research discoveries and technologies in chemistry and its related disciplines. Furthermore, ACS national meetings facilitate networking opportunities, career development and placement, and provide organizations with opportunities to exhibit products and services to targeted audiences. The Society’s Congressional Charter explicitly lists among its objectives “the improvement of the qualifications and usefulness of chemists through high standards of professional ethics, education and attainments....” The ACS expects its volunteers and national meeting attendees to display the highest qualities of personal and professional integrity in all aspects of their ACS- related activities. Indeed, every chemical professional has obligations to the public, to volunteer and staff colleagues, and to science. Accordingly, and to foster a positive environment built upon a foundation of trust, respect, open communications, and ethical behavior, the ACS Board of Directors has issued this Conduct Policy. It applies to ACS Volunteers, i.e., it applies to individuals conducting the business and affairs of the ACS without compensation for that conduct. It also applies to attendees at ACS national meetings. Volunteers and national meeting attendees should at all times abide by this Conduct Policy. Specifically: 1. Volunteers should understand and support ACS’s vision and mission. 2. Volunteers and national meeting attendees should contribute to a collegial, inclusive, positive, and respectful environment for their fellow volunteers and attendees, as well as for other stakeholders, including national meeting vendors and ACS staff. 3. Volunteers and national meeting attendees must avoid taking any inappropriate actions based on race, gender, age, religion, ethnicity, nationality, sexual orientation, gender expression, gender identity, marital status, political affiliation, presence of disabilities, or educational background. They should show consistent respect to colleagues, regardless of the level of their formal education and whether they are from industry,

government, academia, or other scientific and engineering disciplines. 4. Volunteers and national meeting attendees should interact with others in a cooperative and respectful manner. Volunteers and national meeting attendees should refrain from using insulting, harassing, or otherwise offensive language in their ACS interactions. Disruptive, harassing, or inappropriate behavior toward other volunteers, stakeholders, or staff is unacceptable. Personal boundaries set by others must be observed. Harassment of any kind, including but not limited to unwelcome sexual advances, requests for sexual favors, and other verbal or physical harassment will not be tolerated. 5. Volunteers must obey all applicable laws and regulations of the relevant government authorities while acting on behalf of the ACS. Likewise, national meeting attendees must obey all applicable laws and regulations of the relevant government authorities while attending ACS national meetings. Volunteers and national meeting attendees alike should also ensure that they comply with all applicable safety guidelines relating to public chemistry demonstrations. 6. Volunteers and national meeting attendees should only use ACS’s trademarks, insignia, name, logos, and other intellectual property in compliance with ACS regulations and directives as may be issued from time to time. 7. Violations of this Conduct Policy should be reported promptly to the ACS Secretary and General Counsel or to the Chair of the ACS Board of Directors. In cases of alleged persistent and/or serious violations of this Conduct Policy, the Board shall review the evidence and shall take such actions as may be appropriate, including but not limited to requiring volunteers to leave their volunteer position(s), precluding volunteers from serving in Society volunteer roles in the future, requiring national meeting attendees to leave the meeting, and precluding meeting attendees from attending future ACS national meetings. ACS, through its Board of Directors, reserves the right to pursue additional measures as it may determine are appropriate. Adopted by the Board of Directors 12/6/13

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GENERAL MEETING INFORMATION

Conduct Policy

ACS RESOURCE HUB NORTH LOBBY, BOSTON CONVENTION & EXHIBITION CENTER SATURDAY, August 18...........................3:00 PM – 6:00 PM SUNDAY, August 19............................... 8:00 AM – 5:00 PM MONDAY, August 20............................ 8:00 AM – 5:00 PM TUESDAY, August 21............................. 8:00 AM – 5:00 PM WEDNESDAY, August 22.................... 8:00 AM – 5:00 PM THURSDAY, August 23.......................... 8:00 AM – 1:00 PM ACS MEMBER LOUNGE Join, renew, or chat about ACS membership and the great benefits. MOBILE APP HELP DESK Have questions about the ACS Meetings & Events Mobile App? Stop by for all the answers. NORTHEASTERN LOCAL SECTION Learn more about the ACS Local Section host! LOUNGE AREA WITH CHARGING SPOTS Meet up with colleagues and recharge your devices. HOUSING HELP DESK Have a question about hotel reservations? ConferenceDirect is here to help.

Accommodations For attendees in need of housing, some official National Meeting hotels may still have rooms available. Visit www.acs.org/ nationalmeeting for the list of official hotels. ConferenceDirect is the official housing bureau for the National Meeting, and ACS does not endorse booking hotel reservations through any other source. All attendees who make reservations through ConferenceDirect will receive complimentary internet access in their rooms. ConferenceDirect will be located in the ACS Resource Hub in the BCEC North Lobby throughout the National Meeting to assist you with last-minute housing changes or needs.

Traveling to Meeting Venues ACS SHUTTLE BUS

Many of the official hotels are in walking distance to the BCEC. ACS will provide complimentary shuttle bus service between the BCEC and official hotels that are not in walking distance. For more information, refer to the Shuttle Map located on Page 20.

PUBLIC TRANSPORTATION

Boston’s public transportation system, the MBTA, connects all of Boston and its suburbs by subway, rail, bus, and even boat. Visit www. mbta.com for more information. TAXI SERVICE

The city of Boston has an extensive taxi service. Your hotel concierge can assist you with arranging taxi service. RIDESHARE SERVICES

DAILY PARKING AT THE BCEC

Valet Parking: Valet parking ($30) is available during most events. Cash and all major credit cards are accepted. BCEC South Parking Lot: Space is limited and is available on a first come, first served basis. Rates are $18 for regular-sized vehicles and $36 for oversized vehicles. Alternate Parking: Additional parking may be available at the Boston Marine Industrial Park (BMIP) Garage, which is within walking distance of the BCEC. Space is available on a first come, first served basis.

Lyft and Uber operate in Boston. Download the respective apps in your mobile app store for pricing and availability.

JOIN

ACS Before August 23 and

SAVE! Get a refund for up to $400 on registration fees by becoming an ACS Member. Visit the Member Lounge in the BCEC North Lobby to join!

19

ACCOMMODATIONS & TRAVEL

Accommodations & Travel Accommodations/TavelAP

2018

ACCOMMODATIONS & TRAVEL

NANOSCIENCE, NANOTECHNOLOGY & BEYOND

AMERICAN CHEMICAL SOCIETY National Meeting & Exposition

Aug. 19–23

Boston I MA

SHUTTLE HOURS OF OPERATION Sunday, August 19, 2018 7:00 AM – 10:00 AM. . . . every 15 minutes 10:00 AM – 4:00 PM. . every 30 minutes* 4:00 PM – 7:00 PM. . . . . every 15 minutes 7:00 PM – 11:00 PM. . . every 30 minutes* Monday, August 20, 2018 7:00 AM – 10:00 AM. . . . every 15 minutes 10:00 AM – 4:00 PM. . every 30 minutes* 4:00 PM – 11:00 PM. . . . . every 15 minutes

Tuesday, August 21, 2018 7:00 AM – 10:00 AM. . . . every 15 minutes 10:00 AM – 4:00 PM. . every 30 minutes* 4:00 PM – 11:00 PM. . . . . every 15 minutes Wednesday, August 22, 2018 7:00 AM – 11:00 PM. . . every 30 minutes* Thursday, August 23, 2018 7:00 AM – 6:00 PM. . . . every 60 minutes

*Departs BCEC on the hour and half hour. Please note: Shuttle interval times can be affected by weather and traffic conditions. Map Number

1 2 3

Boston Convention & Exhibition Center (BCEC) AGFD, AGRO, ANYL, BIOL, CHAL, COLL, COMSCI, ENVR, GEOC, INOR, MEDI, MPPG, ORGN, PHYS, PRES

Aloft Boston Seaport BMGT, CARB, CELL, PROF, SCHB

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For all shuttle inquiries and wheelchair assistance, please call TMS: 1.866.439.8564

ACCOMMODATIONS & TRAVEL

D S13 t

CAMPUS MAP

K S treet

EXHIBITOR WORKSHOPS Exhibiting companies will host FREE educational sessions for attendees that will introduce new products and services, highlight innovative applications for existing instrumentation, and build skills with specific tools and techniques. Sessions will take place Sunday–Tuesday on the Expo Floor and Room 155 at the BCEC.

INNOVATION FAIR Visit the Innovation Fair exhibitors to see the most cutting-edge products and services provided by brandnew companies just starting out in the chemical industry! Located on the Expo Floor, booths #2608–2713

STUDENT & EDUCATOR ACTIVITIES

Student & Educator Activities

HONORING OUR VOLUNTEERS

Tuesday, August 21, 2018 Boston Park Plaza 8PM Poster Session & Reception Statler Room

9PM Ceremony Grand Ballroom A/B

10PM After Party Grand Ballroom A/B

www.acs.org/chemluminary

Undergraduate students, graduate students, high school teachers, and chemical professionals will have the opportunity to participate in a number of education-focused programs and specialty activities developed specifically for each group. Explore these opportunities in depth at www.acs.org/nationalmeeting.

Undergraduate Program Program Chair: Amy Keirstead, University of New England, [emailprotected] The Society Committee on Education’s Undergraduate Programs Advisory Board has planned a vibrant program designed especially for undergraduate students. The technical symposia and workshops will focus on essential skills for employment in chemistry and success in graduate school.

23

2018

NANOSCIENCE, NANOTECHNOLOGY & BEYOND

AMERICAN CHEMICAL SOCIETY National Meeting & Exposition

Boston I MA

Aug. 19–23

CORE STUDENT PROGRAM SATURDAY, AUGUST 18, 2018 10:00 AM – 2:00 PM

ACS Kids Zone I Boston Children’s Museum Sponsored by the ACS Committee on Community Activities

SUNDAY, AUGUST 19, 2018 8:30 AM – 5:00 PM

Student Hospitality Center • Seaport World Trade Center, Cityview Ballroom 1

8:30 AM – 5:00 PM

Undergraduate Research Papers (Oral) • Seaport World Trade Center, Cambridge 1/2

9:00 – 10:00 AM

The Road Not Taken • Seaport World Trade Center, Cityview Ballroom 2

10:00 – 11:15 AM

Graduate School: The Ins and Outs of Getting In • Seaport Boston Hotel,

11:15 AM – 12:30 PM

The Graduate School Experience: What to Expect • Seaport Boston Hotel, Plaza Ballroom C

12:30 – 2:00 PM 2:00 – 5:00 PM 5:00 – 7:00 PM

Plaza Ballroom A/B

Networking 101 • Seaport Boston Hotel, Plaza Ballroom A/B Sponsored by the ACS Younger Chemists Committee

Graduate School Fair • Seaport World Trade Center, HarborView Science Communication: Speaking to the Public • Harpoon Brewery and Beer Hall, 306 Northern Ave Cosponsored by the ACS on Campus

MONDAY, AUGUST 20, 2018 8:30 – 10:30 AM 9:00 – 10:30 AM 10:30 – 11:55 AM

Student Hospitality Center • Seaport World Trade Center, Cityview Ballroom 1 It is Easy Being Green! • Seaport World Trade Center, Waterfront Ballroom 2 Cosponsored by the ACS Green Chemistry Institute

The Boston Tea Party • Seaport World Trade Center, Cityview Ballroom 2 Eminent Scientist Lecture and Luncheon • Seaport World Trade Center, Cityview Ballroom 1/2

12:00 – 1:30 PM

The Road Less Traveled: Exploring Career Possibilities in Chemistry JoAnne Stubbe, Novartis Professor Emeritus, Massachusetts Institute of Technology Cosponsored by the ACS Division on Professional Relations

Undergraduate Research Poster Session • Boston Convention & Exhibition Center, Exhibit Hall B2/C 2:00 – 4:00 PM

Cosponsored by the ACS Divisions of Agricultural & Food Chemistry, Analytical, Biological, Environmental, Inorganic, Medicinal, Physical, Polymer Chemistry, and Geochemistry, and the Society Committee on Education

5:15 – 6:30 PM

The Fred Kavli Foundation Innovation in Chemistry Lecture •

8:00 – 10:00 PM

Sci-Mix/Successful Student Chapters Poster Session • Boston Convention & Exhibition

Boston Convention & Exhibition Center, Ballroom West

Center, Exhibit Hall B2/C

All events are sponsored or cosponsored by the Society Committee on Education Undergraduate Programming Advisory Board. Undergraduate Programming Advisory Board Chair: Michael R. Adams I Xavier University of Louisiana Program Chair: Amy Keirstead I University of New England (ME)

acs.org/studentmeetinginfo

ACS CAREER NAVIGATOR

ACS Career Navigator is your home for career services, leadership development, and professional education resources. We offer comprehensive and easily identified tools to help you achieve your career goals by landing a new job, finding a new career path, comparing your salary, and viewing current trends in the chemistry enterprise to make more informed decisions. Opportunities for career development abound at the ACS National Meeting in Boston. Take advantage of the resources and tools the ACS Career Navigator offers to help you succeed in the global scientific enterprise. Are you ready to get started? Refresh your skills and branch into new areas of emerging science and advanced applications with an ACS Professional Education Short Course. Take an ACS Leadership Development System® course to gain skills that are immediately applied on the job or in school. Register for an ACS Career Pathways™ workshop to help you find a career pathway and a job in the chemical sciences that’s right for you. While you’re in the expo hall, make sure to head to the ACS Career Fair to network with recruiters. Learn more on page 27. Whatever your career goals, the ACS Career Navigator is here to help you achieve and exceed them.

ACS CAREER PATHWAYS™ WORKSHOPS

Our career-related workshops on varying topics will help you with everything from improving your résumé to optimizing job performance to acing an interview. Workshop times are subject to change. Please check the Online Planner or Mobile App for upto-date schedule and location information. ACS PROFESSIONAL EDUCATION SHORT COURSES

Our training courses are specifically designed to improve the skills and marketability of chemical scientists and technicians and are offered in conjunction with the National Meeting. ACS Member, early registration, and group discount rates are available. If you did not register for a course when you registered for the meeting, you can do so, depending on space availability, in the Attendee Registration Office, in BCEC Hall A. Visit the meeting website, www.acs.org/nationalmeeting for more information on these courses.

2018 ACS LEADERSHIP DEVELOPMENT SYSTEM COURSE OFFERINGS

Whether you are a manager, experienced professional, or new member of the workforce, we invite you to attend an ACS Leadership Development System® course held at the ACS National Meeting. Each of the four-hour facilitated courses require a deposit of $50 that will be refunded after attendance for ACS Members and a $300 fee each for nonmembers. If you did not register for a course when you registered for the meeting, you can do so, depending on space availability, at Attendee Registration, BCEC Hall A. Visit the meeting website, www.acs. org/nationalmeeting for more information on these courses.

For more information on ACS Short Courses, visit www.proed.acs.org/boston. If you have questions, call 202-872-4508, fax 202-872-6336, or email [emailprotected].

25

CAREER NAVIGATOR

Career Navigator

NANOSCIENCE, NANOTECHNOLOGY & BEYOND KAVLI LECTURE SERIES MODERATED BY DR. PETER K. DORHOUT, ACS PRESIDENT Sponsored by The Kavli Foundation

KAVLI ad

KAVLI EMERGING LEADER IN CHEMISTRY LECTURE Jill Millstone — University of Pittsburgh Metal-Ligand Chemistry in Nanoparticle Synthesis and Performance Monday, August 20 I 4:00 PM Boston Convention & Exhibition Center — Ballroom West KAVLI INNOVATIONS IN CHEMISTRY LECTURE Harry Atwater — California Institute of Technology Light as Fuel Monday, August 20 I 5:15 PM Boston Convention & Exhibition Center — Ballroom West

BRAIN INITIATIVE SYMPOSIA NANOSCIENCE & NANOTECHNOLOGY IN NEUROSCIENCE & THE BRAIN INITIATIVE Tuesday, August 21 I 9:00 AM Organizer & Presider: Anne Andrews THE ROLE OF THE CHEMICAL SCIENCES IN BRAIN RESEARCH & THE BRAIN INITIATIVE Tuesday, August 21 I 1:30 PM Organizer: Jonathan Sweedler

The Kavli Foundation Lecture Series promotes groundbreaking discovery and public understanding of the world’s mounting challenges and how chemistry can provide solutions. The American Chemical Society gratefully acknowledges The Kavli Foundation’s generous support for The Fred Kavli Innovations in Chemistry Lecture and The Kavli Foundation Emerging Leader in Chemistry Lecture.

Exposition Meet, network, learn, and conduct business with over 250 companies and organizations showcasing the most state-of-the-art chemical product and services. Exposition admission is complimentary for all National Meeting registrants. You are required to wear your badge. Individuals who want to visit the exhibits without registering for the technical component of the National Meeting can obtain an expo-only badge for $10. Purchase your ticket at Attendee Registration, BCEC North Lobby. Registration can be handled online, by mail, or in person.

ACS Career Fair Visit the ACS Career Fair, where you can network with recruiters from top employers. As an ACS Member, you can create an online profile and upload your resumes to our database, so recruiters can schedule in-person interviews with you. You can also take advantage of ACS Career Consultants for personalized career advice, including resume and LinkedIn reviews, mock interviews, and consultations with immigration attorneys. You can even get your professional headshot taken.

Exhibitor Workshops Learn from industry experts about emerging trends, state of the industry issues, and approaches to solve your most pressing challenges. Workshops will be conducted in two expo theaters during posted times. Check the Mobile App for the most up-to-date schedule.

Recharge & Social Media Lounge NEW! Relax, recharge, and get social in our new lounge. While you’re there, give your devices a boost too by taking advantage of one of the many charging amenities. Take selfies and watch the meeting happenings scroll by on social media on our monitors.

Special Events in the Expo Hall Welcome Reception Sunday, August 19, 5:30 PM–7:30 PM, Hall A, BCEC Visit with exhibitors and meet new friends at the kick-off event of the Meeting!

Featured Areas ACS BOOTH #1418

Visit the ACS booth, where various staff units will present the plethora of benefits, services, products, and merchandise offered by ACS. INNOVATION FAIR, BOOTHS #2608–2713

Visit the most innovative startup companies in the chemical industry! Be the first to meet the industry stars of tomorrow. SMALL CHEMICAL BUSINESS ROW, BOOTHS #632–2432

Check out what these small but mighty companies are featuring and how they can be an invaluable resource to you.

Poster Sessions Engage in illuminating conversation with poster presenters at the following divisional poster sessions: Small Chemical Business and COLL Sunday, August 19, 5:30 PM–7:30 PM ENFL Monday, August 20, 3:00 PM–5:00 PM Caffeinate & Communicate Mingle with fellow attendees and exhibitors while grabbing a cup o’ joe or cold beverage during these afternoon breaks. • Monday, August 20, 1:00 PM–3:00 PM • Tuesday, August 21, 3:00 PM–5:00 PM Meet the ACS President-Elect Candidates Monday, 1:00 PM–4:00 PM 27

EXPO & CAREER FAIR HIGHLIGHTS

Expo & Career Fair Highlights

JOIN THE

ACS BOARD OF DIRECTORS REGULAR SESSION Sunday, August 19, 2018

•

Noon - 1:00 p.m.

Boston Convention & Exhibition Center Ballroom West (Ballroom Level 3) Doors open at 11:45 a.m. Sandwiches and soft drinks available while supplies last FEATURING GUEST SPEAKER:

SIR FRASER STODDART, NORTHWESTERN UNIVERSITY

JIM PRISCHING PHOTOGRAPHY

“Transformative Research: Doing Your Own Thing” Nobel Laureate Sir Fraser Stoddart, D.Sc. is a Board of Trustees Professor of Chemistry and Director of the Center for the Chemistry of Integrated Systems at Northwestern University. Before moving to Northwestern in 2008, Professor Stoddart was formerly the Director of the California NanoSystems Institute and the Fred Kavli Chair of NanoSystems Sciences at the University of California, Los Angeles. Throughout his distinguished career, Professor Stoddart has received numerous prestigious awards and honors for his discoveries and innovations. In 2016, he was awarded the Nobel Prize in Chemistry along with Ben Feringa (University of Groningen, the Netherlands) and Jean-Pierre Sauvage (University of Strasbourg, France) for the design and synthesis of molecular machines. Professor Stoddart is a pioneer in the fields of supramolecular chemistry and molecular nanotechnology, and his work has helped open up a new field of chemistry. His research interests are in chemistry beyond the molecule, which, combined with his interest in templation, has led to the template-directed synthesis, based on molecular recognition and self-assembly processes, of a wide range of mechanically interlocked molecules, bistable variants of which have found their way in the form of switches into molecular electronic devices and drug delivery systems. The Sunday Times in the U.K. once noted that Stoddart “is to nanotechnology what J.K. Rowling is to children’s literature.” Professor Stoddart is a native of Scotland, and he received his B.Sc., Ph.D., and D.Sc. degrees from Edinburgh University. Nobel Laureate Sir Fraser Stoddart is serving as Champion for the 50 Forward fundraising campaign in celebration of ACS Project SEED’s 50th Anniversary. He is active in reaching out to new scientists as well as others both inside and outside the scientific community via @sirfrasersays on Twitter.

American Chemical Society

GOVERNANCE & BUSINESS MEETINGS

ACS Board of Directors 2018

2018 ACS Board of Directors

John E. Adams

Christina C. Bodurow

Allison A. Campbell

Bonnie A. Charpentier

Thomas Connelly, Jr.

Peter K. Dorhout

Teri Quinn Gray

Rigoberto Hernandez

Paul W. Jagodzinski

Wayne E. Jones, Jr.

Lee H. Latimer

Ingrid Montes

Laura E. Pence

Dorothy J. Phillips

Barbara A. Sawrey

Kathleen M. Schulz

District V Chair

Executive Director & CEO

District VI

District I

District II

President

Director-At-Large

Director-At-Large

Immediate Past President

District III

Director-At-Large

Director-At-Large

President-Elect

District IV

Director-At-Large

Director-At-Large

1/1/18

29

GOVERNANCE & BUSINESS MEETINGS

Governance & Business Meetings

Many members participate in meetings concerning the business of the Society, technical divisions, and governance committees in conjunction with the National Meeting. The following pages list the open meetings scheduled for Boston. ACS encourages its members to get active in governance at all levels in order to contribute their vision to the direction of the Society. You can share ideas and insights into the Society and the chemical profession, network with peers, and catch up with friends through these volunteer connections. With nearly 30 national governance committees and leadership opportunities in technical divisions and local sections to choose from, there are many opportunities for members to become actively involved in ACS at the national level. If you are an ACS Member interested in volunteering for a governance committee, contact the Office of the Secretary at [emailprotected] or by telephone at 202-872-4461. Someone will put you in contact with the ACS Committee on Committees to discuss your desire to volunteer for a committee assignment. If you wish to volunteer for a specific technical division or local section, contact the officers listed at www.acs.org to explore your specific interests.

30

Board & Council Meetings ACS Board of Directors The ACS Board of Directors meeting is open to all members who wish to participate. Sunday, August 19, 12:00 PM–1:00 PM Boston Convention & Exhibition Center, Ballroom West Guest Speaker: Sir Fraser Stoddart, Board of Trustees Professor of Chemistry and Head of the Stoddart Mechanostereochemistry Group, Department of Chemistry, Northwestern University ACS Council Wednesday, August 22 Breakfast: 7:00 AM Meeting: 8:00 AM Hynes Convention Center, Ballroom Councilors should check in beginning at 7:00 AM and proceed to the breakfast area, keeping in mind that the meeting starts promptly at 8:00 AM. Space will be available for ACS Members and nonmembers to observe the council in action. We hope that many will take advantage of this opportunity to learn firsthand about the society’s operation. Alternate councilors and division and local section officers are particularly urged to attend.

Committee Meeting Formats and Structure ACS governance committees generally operate in one of three formats as described below. These formats can change during the course of a meeting as discussions and deliberations change. It is the responsibility of the Committee Chair and the Staff Liaison to ensure that only the appropriate people are present during a meeting. Open: May be attended by any ACS Member. At these meetings, members are encouraged to voice concerns, issue compliments, offer suggestions, express interest in, or raise questions about matters over which the committee has purview. The assumption is that participation is welcomed and will be orderly and courteous. Only committee members may vote. Closed: The Committee Chair must declare any Executive meeting Closed when confidential or sensitive personnel, financial, or legal matters of the Society are discussed. At that point, only officially appointed/elected Committee Members, Associates, Consultants, Staff Liaisons, and the appointed ConC liaison shall remain in the meeting. Others may stay in the meeting at the discretion of the Chair. Once these discussions are completed, the committee should return to the Executive mode. Executive: Attendance and participation is limited to officially appointed/elected Committee Members, Associates, Advisors, Consultants, Staff Liaisons, and the appointed ConC liaison. Liaisons from other groups and both ex officio and elected Councilors may attend; active participation by these groups is at the invitation of the Chair. Only committee members may vote.

If you cannot attend the particular committee meeting of interest or for further information, contact the officers listed. Budget & Finance Joseph A. Heppert, Chair [emailprotected] Open Meeting:

Community Activities Michael B. McGinnis, Chair [emailprotected] Closed Executive Meeting:

Sunday, August 19, 7:00 AM–12:00 PM Sheraton Boston I Republic B CCA/LSAC Joint Open Meeting:

Tuesday, August 21, 2:00 PM–3:30 PM Sheraton Boston I Commonwealth

Saturday, August 18, 8:00 AM–10:30 AM Sheraton Boston I Constitution A

Constitution & Bylaws V. Dean Adams, Chair [emailprotected]

Chemical Safety Ralph Stuart, Chair [emailprotected]

Open Meeting:

Open Executive Meeting:

Saturday, August 18, 8:15 AM–9:45 AM Sheraton Boston Monday, August 20, 7:00 AM–8:30 AM Sheraton Boston Chemistry & Public Affairs Raymond E. Forslund, Chair [emailprotected] Open Meeting:

Saturday, August 18, 3:00 PM–4:30 PM Sheraton Boston I Constitution B Chemists with Disabilities James Schiller, Chair [emailprotected] Combined Open and Executive Meeting:

Sunday, August 19, 8:30 AM–4:30 PM Sheraton Boston I Commonwealth Committees Carolyn Ribes, Chair [emailprotected] Open Meeting:

Monday, August 20, 1:30 PM–2:00 PM Sheraton Boston I Constitution A

Sunday, August 19, 1:30 PM–1:45 PM Sheraton Boston I Republic A Executive Meeting:

Sunday, August 19, 10:00–11:30 AM & 1:45 PM–4:30 PM Sheraton Boston I Republic A Corporation Associates Diane Grob Schmidt, Chair [emailprotected] Open Meeting:

Economic & Professional Affairs Tiffany ho*rter, Chair [emailprotected] Executive Meeting:

Saturday, August 18, 8:00 AM–5:30 PM Sheraton Boston I Independence West Education Jennifer Nielson, Chair [emailprotected] Executive Meeting:

Friday, August 17, 1:00 PM–5:30 PM Sheraton Boston I Republic B Open Meeting:

Monday, August 20, 3:00 PM–4:00 PM Sheraton Boston I Berkeley A/B Environmental Improvement Anthony (Tony) Noce, Chair [emailprotected] Breakfast/Open Meeting:

Monday, August 20, 7:45 AM–9:00 AM Aloft Boston Seaport I Smoot

Monday, August 20, 8:00 AM–12:00 PM Sheraton Boston I Back Bay C

Ethics Judith Currano, Chair [emailprotected]

Council Policy Mary K. Carroll, Vice Chair [emailprotected]

Open Executive Meeting:

Open Executive Meeting:

Sunday, August 19, 9:00 AM–4:30 PM Sheraton Boston I The Fens

Tuesday, August 21, 9:30 AM–12:00 PM Sheraton Boston I Constitution B

International Activities Jens Breffke, Chair [emailprotected]

Divisional Activities Rodney M. Bennett, Chair [emailprotected]

Open Meeting:

Open Executive Meeting:

Sunday, August 19, 8:00 AM–12:00 PM Hilton Back Bay I Maverick A/B

Saturday, August 18, 1:00 PM–3:00 PM Sheraton Boston I Republic B Local Section Activities Jason Ritchie, Chair [emailprotected] Open Executive Meeting:

Sunday, August 19, 8:00 AM–12:00 PM Sheraton Boston I Back Bay B LSAC/CCA Joint Open Meeting:

Tuesday, August 21, 2:00 PM–3:30 PM Sheraton Boston I Commonwealth 31

GOVERNANCE & BUSINESS MEETINGS

Governance & Business Meetings

GOVERNANCE & BUSINESS MEETINGS

Governance & Business Meetings

Meetings & Expositions Kevin J. Edgar, Chair [emailprotected]

Patents & Related Matters Kirby Drake, Chair [emailprotected]

Senior Chemists Thomas R. Beattie, Chair; [emailprotected]

Open Meeting:

Open Meeting:

Open Executive Meeting:

Sunday, August 19, 7:30 AM–10:00 AM Boston Convention & Exhibition Center Room 258A

Saturday, August 18, 9:00 AM–4:00 PM Sheraton Boston

Monday, August 20, 8:00 AM–1:00 PM Sheraton Boston I Riverway

Closed Executive Meeting:

Professional Training Edgar Arriaga, Chair [emailprotected]

Technician Affairs Aime’e Tomlinson, Chair [emailprotected]

Open Meeting:

Closed Executive Meeting:

Sunday, August 19, 4:00 PM–6:00 PM Hilton Back Bay I Maverick B

Sunday, August 19, 8:00 AM–2:00 PM Sheraton Boston I Constitution B

Project SEED Don Warner, Chair [emailprotected]

Sunday, August 19, 2:00 PM–2:30 PM Sheraton Boston I Constitution B

Sunday, August 19, 10:00 AM–12:00 PM Boston Convention & Exhibition Center Room 258A Membership Affairs Margaret J. Schooler, Chair Closed Executive Meeting:

Sunday, August 19, 8:00 AM–3:00 PM Sheraton Boston I Back Bay A Open Executive Meeting:

Sunday, August 19, 3:00 PM–4:00 PM Sheraton Boston I Back Bay A Minority Affairs Ann Kimble-Hill, Chair [emailprotected] Closed Executive Meeting:

Sunday, August 19, 8:00 AM–12:30 PM Sheraton Boston I Back Bay C Open Meeting:

Sunday, August 19, 12:30 PM–2:00 PM Sheraton Boston I Back Bay C Nomenclature, Terminology & Symbols Michael D. Mosher, Chair [emailprotected] Open Executive Meeting:

Monday, August 20, 10:00 AM–12:30 PM Sheraton Boston I Hampton A/B Open Meeting:

Open Meeting:

Sunday, August 19, 9:30 AM–10:30 AM Sheraton Boston I Public Garden

Closed Executive Meeting:

Saturday, August 18, 10:30 AM–5:00 PM Sheraton Boston I Public Garden

Saturday, August 18, 8:00 AM–5:00 PM Sheraton Boston I Back Bay C

Public Relations & Communications Jennifer Maclachlan, Chair [emailprotected]

Younger Chemists Natalie A. LaFranzo, Chair [emailprotected]

Open Executive Meeting:

Monday, August 20, 8:00 AM–1:00 PM Sheraton Boston I Back Bay A Publications Nicole S. Sampson, Chair Open Meeting:

Friday, August 17, 4:30 PM–5:00 PM Sheraton Boston I Hampton A/B Executive Meeting:

Friday, August 17, 12:00 PM–5:00 PM (Closed until 4:30 PM) Sheraton Boston I Hampton A/B

Nominations & Elections Les W. McQuire, Chair [emailprotected]

Science Mark C. Cesa, Chair [emailprotected]

Monday, August 20, 11:30 AM–12:00 PM Sheraton Boston I Independence West 32

Women Chemists Kimberly A. Woznack, Chair [emailprotected]

Closed Executive Meeting:

Monday, August 20, 1:30 PM–5:00 PM Sheraton Boston I Hampton A/B

Open Executive Meeting:

Open Executive Meeting:

Open Meeting:

Saturday, August 18, 8:30 AM–4:30 PM Sheraton Boston I Back Bay A

Closed Meeting:

Saturday, August 18, 8:00 AM–3:00 PM Sheraton Boston I Back Bay D Open Meeting:

Sunday, August 19, 8:00 AM–12:00 PM Sheraton Boston I Back Bay D Council Policy Committee The Council Policy Committee will open the floor during its meeting at 11:30 AM on Tuesday, August 21, to councilors who would like to raise issues of concern that affect them and/or their local sections or divisions. For further information, contact the committee Vice Chair, Mary Carroll, at [emailprotected].

Councilor Caucus Meetings District I Councilor Caucus

District V Councilor Caucus

Tuesday, August 21, 5:30 PM–6:30 PM Sheraton Boston I Commonwealth

Sunday, August 19, 6:00 PM–7:00 PM Sheraton Boston I The Fens

Sunday, August 19, 6:00 PM–7:00 PM Sheraton Boston I Hampton A/B

Sunday, August 19, 6:00 PM–7:00 PM Sheraton Boston I Public Garden

District II Councilor Caucus

District III Councilor Caucus

Sunday, August 19, 6:00 PM–7:00 PM Sheraton Boston I Berkeley A/B District IV Councilor Caucus

Sunday, August 19, 6:00 PM–7:00 PM Sheraton Boston I Riverway

GOVERNANCE & BUSINESS MEETINGS

Governance & Business Meetings

District VI Councilor Caucus

Division Officers/Councilors Caucus

Tuesday, August 21, 4:00 PM–6:00 PM Sheraton Boston I Riverway

Renew and Save ACS is offering an exclusive discount to current members who renew their membership during the ACS National Meeting in Boston. Visit the Member Lounge (North Lobby of the BCEC) Saturday, August 18-Thursday, August 23 during Registration Hours and receive 20% OFF* your membership renewal. Upgrade to a multi-year membership and take advantage of even greater savings. *Offer valid On-Site at the National Meeting only

33

DIVISION MEETINGS & SOCIAL EVENTS

Division Meetings & Social Events Division of Agriculture & Food (AGFD) AGFD Special Topics

Sunday, August 19

12:00 PM–1:00 PM

Boston Convention & Exhibition Center

Room 109A

Reception at AGFD Poster Session

Sunday, August 19

5:00 PM–7:00 PM

Boston Convention & Exhibition Center

Exhibit Hall B2/C

AGFD Future Programs

Monday, August 20

12:00 PM–1:00 PM

Boston Convention & Exhibition Center

Room 107B

AGFD Executive Committee Meeting

Monday, August 20

5:00 PM–8:00 PM

Boston Convention & Exhibition Center

Room 107C

AGFD Business Meeting

Tuesday, August 21

12:15 PM–1:00 PM

Boston Convention & Exhibition Center

Room 258C

Division of Agrochemicals (AGRO) AGRO Morning Coffee Break 1

Sunday, August 19

10:00 AM–10:30 AM

Boston Convention & Exhibition Center

Ballroom East

AGRO Afternoon Coffee Break 1

Sunday, August 19

2:45 PM–3:15 PM

Boston Convention & Exhibition Center

Ballroom East

AGRO Business Meeting

Sunday, August 19

5:00 PM–9:00 PM

Boston Convention & Exhibition Center

Room 207

AGRO Morning Coffee Break 2

Monday, August 20

9:45 AM–10:15 AM

Boston Convention & Exhibition Center

Ballroom East

AGRO Graduate Student Lunch

Monday, August 20

11:45 AM–1:00 PM

Boston Convention & Exhibition Center

Room 258C

AGRO Afternoon Coffee Break 2

Monday, August 20

2:45 PM–3:15 PM

Boston Convention & Exhibition Center

Ballroom East

AGRO Morning Coffee Break 3

Tuesday, August 21

9:45 AM–10:15 AM

Boston Convention & Exhibition Center

Ballroom East

AGRO Afternoon Coffee Break 3

Tuesday, August 21

3:00 PM–3:30 PM

Boston Convention & Exhibition Center

Ballroom East

AGRO VIP (Vendor Interfaces Program) Vendor Face-to-Face Meet & Greet

Tuesday, August 21

5:00 PM–6:00 PM

Boston Convention & Exhibition Center

Room 258C

AGRO Blues-N-Brews

Tuesday, August 21

6:00 PM–7:30 PM

Boston Convention & Exhibition Center

Room 258C

AGRO Morning Coffee Break 4

Wednesday, August 22

9:45 AM–10:15 AM

Boston Convention & Exhibition Center

Ballroom East

AGRO Poster Session

Wednesday, August 22

11:30 AM–2:00 PM

Boston Convention & Exhibition Center

Ballroom Pre-Function

AGRO Afternoon Coffee Break 4

Wednesday, August 22

3:45 PM–4:15 PM

Boston Convention & Exhibition Center

Ballroom East

AGRO Award Social

Wednesday, August 22

6:00 PM–8:00 PM

Boston Convention & Exhibition Center

Room 258C

AGRO Morning Coffee Break 5

Thursday, August 23

10:00 AM–10:30 AM

Boston Convention & Exhibition Center

Ballroom East

Your AGRO Mixer

Thursday, August 23

12:15 PM–1:00 PM

Boston Convention & Exhibition Center

Ballroom East

34

Division of Analytical Chemistry (ANYL) ANYL Executive Committee Meeting

Sunday, August 19

7:00 PM–9:00 PM

Boston Convention & Exhibition Center

Room 103

ANYL Poster Session

Sunday, August 19

7:00 PM–9:00 PM

Boston Convention & Exhibition Center

Halls B2/C

Reception for Sterling Hendricks Award Symposium

Tuesday, August 21

12:00 PM–1:00 PM

Boston Convention & Exhibition Center

Room 107B

Chemical Forensics Workshop A

Tuesday, August 21

1:00 PM–6:00 PM

Boston Convention & Exhibition Center

Room 210A

Chemical Forensics Workshop B

Tuesday, August 21

1:00 PM–6:00 PM

Boston Convention & Exhibition Center

Room 210A

Analytical Division Reception

Tuesday, August 21

5:00 PM–7:00 PM

Westin Boston Waterfront

Marina Ballroom IV

Chemical Forensics Workshop

Wednesday, August 22

8:00 AM–6:00 PM

Boston Convention & Exhibition Center

Room 210A

Division of Biological Chemistry (BIOL) Hammes Award Reception

Sunday, August 19

5:30 PM–6:30 PM

Boston Convention & Exhibition Center

Room 153B

BIOL Poster Session

Sunday, August 19

6:30 PM–8:30 PM

Boston Convention & Exhibition Center

Halls B2/C

BIOL Poster Session

Tuesday, August 21

6:30 PM–8:30 PM

Boston Convention & Exhibition Center

Halls B2/C

Aloft Boston Seaport

Summer 1

Division of Carbohydrate Chemistry (CARB) CARB Centennial Planning Meeting

Monday, August 20

7:00 PM–11:00 PM

Division of of Chemical Education (CHED) CHED Program Committee Meeting

Saturday, August 18

10:30 AM–12:00 PM

Seaport World Trade Center

Cambridge 2

CHED Executive Committee Meeting

Saturday, August 18

1:00 PM–5:30 PM

Seaport World Trade Center

Waterfront Ballroom 3

CHED/SOCED Task Force on Chemistry Teacher Programming

Saturday, August 18

3:30 PM–5:00 PM

Boston Convention & Exhibition Center

Room 104C

CHED Luncheon

Sunday, August 19

12:00 PM–1:00 PM

Seaport World Trade Center

Waterfront Ballroom 1/2

CHED Long Range Planning Committee Meeting

Sunday, August 19

2:30 PM–4:30PM

Seaport World Trade Center

Dartmouth

CHED Safety Committee Meeting

Sunday, August 19

4:00 PM–5:30 PM

Seaport World Trade Center

Beacon Hill 2

CHED Social Reception

Sunday, August 19

5:30 PM–7:00 PM

Seaport World Trade Center

Cityview Ballroom 2

CHED Poster Session

Sunday, August 19

7:00 PM–9:00 PM

Boston Convention & Exhibition Center

Halls B2/C

35

DIVISION MEETINGS & SOCIAL EVENTS

Division Meetings & Social Events

DIVISION MEETINGS & SOCIAL EVENTS

Division Meetings & Social Events Division of Chemical Health & Safety (CHAS) Laboratory Safety – Beyond the Fundamentals

Friday, August 17

8:00 AM–5:00 PM

Boston Convention & Exhibition Center

Room 204A

Laboratory Waste Management

Friday, August 17

8:00 AM–5:00 PM

Boston Convention & Exhibition Center

Room 203

Health & Safety Training for Cannabis Businesses

Saturday, August 18

8:00 AM–5:00 PM

Boston Convention & Exhibition Center

Room 204B

How to Be a More Effective Chemical Hygiene Officer

Saturday, August 18

8:00 AM–5:00 PM

Boston Convention & Exhibition Center

Room 204A

Reactive Chemical Management for Laboratories and Pilot Plant

Saturday, August 18

8:00 AM–5:00 PM

Boston Convention & Exhibition Center

Room 203

CHAS Executive Committee Meeting

Monday, August 20

10:00 AM–1:00 PM

Seaport Boston Hotel

Seaport Ballroom B

Division of Chemical Information (CINF) CINF Awards Committee

Saturday, August 18

12:30 PM–2:30 PM

Westin Boston Waterfront

Adams

CINF Education Committee

Saturday, August 18

12:30 PM–2:30 PM

Westin Boston Waterfront

Alcott

CINF Program & Executive Committees

Saturday, August 18

12:30 PM–6:00 PM

Westin Boston Waterfront

Douglass

CINF Welcome Reception & Poster Session

Sunday, August 19

6:30 PM–8:30 PM

Westin Boston Waterfront

Galleria

CINF Division Luncheon

Tuesday, August 21

12:00 PM–1:30 PM

Westin Boston Waterfront

Grand Ballroom A

Division of Chemistry and the Law (CHAL) CHAL Networking Luncheon

Monday, August 20

12:00 PM–1:30 PM

Westin Boston Waterfront

Webster

CHAL Reception

Monday, August 20

6:00 PM–8:00 PM

Boston Convention & Exhibition Center

Room 258C

Division of Chemical Toxicology (TOXI) TOXI Executive Committee Meeting

Saturday, August 18

7:00 PM–10:00 PM

Westin Boston Waterfront

Bulfinch

TOXI Posters

Monday, August 20

7:00 PM–9:00 PM

Westin Boston Waterfront

Galleria

Boston Convention & Exhibition Center

Room 258B

Division of Colloid and Surface Chemistry (COLL) COLL Program and Executive Committee Meeting

Saturday, August 18

4:00 PM–7:00 PM

COLL Open Meeting

Sunday, August 19,

5:30 PM–6:00 PM

COLL Poster Session

Sunday, August 19

5:30 PM–7:30 PM

COLL Luncheon

Tuesday, August 21

12:15 PM–1:45 PM

36

Boston Convention & Exhibition Center Boston Convention & Exhibition Center Boston Convention & Exhibition Center

Exhibit Hall A Exhibit Hall A Room 210C

Division of Computers in Chemistry (COMP) COMP Programming & Executive Committee Meeting

Saturday, August 18

3:00 PM–6:00 PM

Westin Boston Waterfront

Faneuil

COMP Poster Session

Tuesday, August 21

6:00 PM–8:00 PM

Boston Convention & Exhibition Center

Exhibit Hall B1

Division of Engineering & Fuel (ENFL) ENFL Program Meeting

Sunday, August 19

12:30 PM–4:00 PM

Renaissance Boston Waterfront

Brewster

ENFL Executive Committee Meeting

Sunday, August 19

4:00 PM–7:30 PM

Renaissance Boston Waterfront

Brewster

ENFL Business Meeting & Social

Monday, August 20

11:30 AM–1:00 PM

Boston Convention & Exhibition Center

Room 052B

ENFL Division Dinner

Tuesday, August 21

6:00 PM–10:00 PM

Off Site

Tuscan Kitchen

Division of Environmental Chemistry(ENVR) ENVR Industry Advisory Board Meeting

Sunday, August 19

1:00 PM–2:00 PM

Boston Convention & Exhibition Center

Room 109B

ENVR Program Planning Meeting

Sunday, August 19

2:00 PM–3:00 PM

Boston Convention & Exhibition Center

Room 109B

ENVR Long Range Planning Meeting

Sunday, August 19

3:00 PM–5:00 PM

Boston Convention & Exhibition Center

Room 109B

ENVR Members Business Meeting

Sunday, August 19

7:00 PM–7:30 PM

Boston Convention & Exhibition Center

Room 109B

ENVR Executive Committee Meeting

Sunday, August 19

7:30 PM–10:00 PM

Boston Convention & Exhibition Center

Room 109B

ENVR Symposium Organizers' Lunch

Monday, August 20

11:45 AM–1:00 PM

Boston Convention & Exhibition Center

Room 109B

ENVR Division Reception

Tuesday, August 21

6:00 PM–8:00 PM

Tico Boston

222 Berkeley Street

Division of Geochemistry (GEOC) GEOC Business Meeting

Sunday, August 19

6:00 PM–8:00 PM

Boston Convention & Exhibition Center

Room 257A

GEOC Poster Session

Sunday, August 19

6:00 PM–8:00 PM

Boston Convention & Exhibition Center

Halls B2/C

5:30 PM–7:30 PM

Seaport Boston Hotel

Seaport Ballroom B

Division of History of Chemistry (HIST) HIST Executive Committee Meeting

Sunday, August 19

37

DIVISION MEETINGS & SOCIAL EVENTS

Division Meetings & Social Events

DIVISION MEETINGS & SOCIAL EVENTS

Division Meetings & Social Events Division of Inorganic Chemistry (INOR) INOR Poster Session

Sunday, August 19

5:30 PM–7:30 PM

Boston Convention & Exhibition Center

Halls B2/C

INOR Poster Session

Tuesday, August 21

5:30 PM–7:30 PM

Boston Convention & Exhibition Center

Halls B2/C

INOR Poster Session

Wednesday, August 22

5:30 PM–7:30 PM

Boston Convention & Exhibition Center

Halls B2/C

Division of Medicinal Chemistry (MEDI) MEDI Executive Committee Meeting

Sunday, August 19

8:30 AM–1:00 PM

Boston Convention & Exhibition Center

Room 257B

MEDI Business Meeting

Sunday, August 19

5:30 PM–6:30 PM

Boston Convention & Exhibition Center

Room 257B

MEDI General Posters

Sunday, August 19

7:00 PM–9:00 PM

Boston Convention & Exhibition Center

Exhibit Hall B1

MEDI Long Range Planning Committee Meeting

Monday, August 20

5:30 PM–10:00 PM

Boston Convention & Exhibition Center

Room 258A

Wednesday, August 22

7:00 PM–11:00 PM

Westin Boston Waterfront

Galleria

MEDI and ORGN General Posters Social

Division of Nuclear Chemistry Technology (NUCL) NUCL Executive Business Meeting

Sunday, August 19

5:30 PM–6:30 PM

Seaport World Trade Center

Dartmouth

NUCL Business Meeting

Tuesday, August 21

5:30 PM–6:30 PM

Seaport Boston Hotel

Flagship A

Division of Organic Chemistry (ORGN) ORGN Executive Committee Meeting

Sunday, August 19

1:00 PM–6:00 PM

Boston Convention & Exhibition Center

Room 258C

ORGN Poster Session

Sunday, August 19

5:30 PM–7:30 PM

Boston Convention & Exhibition Center

Halls B2/C

ORGN Poster Session

Tuesday, August 21

5:30 PM–7:30 PM

Boston Convention & Exhibition Center

Halls B2/C

Wednesday, August 22

7:00 PM–11:00 PM

Westin Boston Waterfront

Galleria

Sunday, August 19

4:30 PM–7:15 PM

Boston Convention & Exhibition Center

Room 258A

Wednesday, August 22

6:00 PM–8:00 PM

Boston Convention & Exhibition Center

Halls B2/C

ORGN/MEDI Poster Session

Division of Physical Chemistry (PHYS) PHYS Executive Committee Meeting PHYS Poster Session

38

Division of Polymeric Materials: Science and Engineering (PMSE) PMSE Officers Meeting

Sunday, August 19

3:00 PM–4:00 PM

Westin Boston Waterfront

Harbor Ballroom I

PMSE Executive Committee Meeting

Sunday, August 19

4:30 PM–7:30 PM

Westin Boston Waterfront

Harbor Ballroom I

PMSE Business Meeting & PMSE/ POLY Coordination Meeting

Monday, August 20

4:00 PM–5:00 PM

Westin Boston Waterfront

Commonwealth A

Joint PMSE/POLY Poster Session

Tuesday, August 21

6:00 PM–8:00 PM

Boston Convention & Exhibition Center

Halls B2/C

Division of Polymer Chemistry (POLY) POLY Annual Business Meeting

Sunday, August 19

12:00 PM–2:00 PM

Westin Boston Waterfront

Harbor Ballroom I

POLY International Committee

Sunday, August 19

2:00 PM–3:00 PM

Westin Boston Waterfront

Marina Ballroom IV

POLY Workshop Committee

Sunday, August 19

3:00 PM–4:00 PM

Westin Boston Waterfront

Marina Ballroom IV

Strategic and Long Range Planning (POLY ExCom)

Sunday, August 19

4:00 PM–5:30 PM

Westin Boston Waterfront

Marina Ballroom IV

Executive and Financial Planning (POLY ExCom)

Monday, August 20

12:00 PM–1:00 PM

Westin Boston Waterfront

Marina Ballroom IV

POLY Industrial Advisory Board

Tuesday, August 21

8:00 AM–10:00 AM

Westin Boston Waterfront

Marina Ballroom IV

POLYEd & IPEC Meeting

Tuesday, August 21

9:00 AM–12:00 PM

Westin Boston Waterfront

Marina Ballroom III

POLY Programming Meeting & Social

Tuesday, August 21

12:00 PM–2:00 PM

Westin Boston Waterfront

Harbor Ballroom I

POLY Membership Committee

Tuesday, August 21

2:00 PM–3:00 PM

Westin Boston Waterfront

Marina Ballroom IV

Wednesday, August 22

5:30 PM–8:00 PM

Westin Boston Waterfront

Grand Ballroom A

3:00 PM–5:00 PM

Sheraton Boston Hotel

Back Bay C

POLY/PMSE Plenary Symposium & Awards Reception

Division of Professional Relations (PROF) PROF Executive Committee and Open Meeting

Tuesday, August 21

Division of Small Chemical Businesses (SCHB) SCHB Executive Committee Meeting SCHB Coffee & Continental Breakfast

Saturday, August 18

5:00 PM–9:00 PM

Boston Convention & Exhibition Center

Room 104A

Sunday, August 19

8:00 AM–11:00 AM

Aloft Boston Seaport

Mann 3

SCHB Afternoon Break

Sunday, August 19

1:00 PM–3:30 PM

Aloft Boston Seaport

Mann 3

SCHB Coffee Break

Monday, August 20

8:00 AM–10:30 AM

Aloft Boston Seaport

Mann 3

SCHB Coffee Break

Tuesday, August 21

8:00 AM–11:00 AM

Aloft Boston Seaport

Mann 3

39

DIVISION MEETINGS & SOCIAL EVENTS

Division Meetings & Social Events

Congratulations to the

2018 Heroes of Chemistry Award Recipients AstraZeneca for TAGRISSOTM (osimertinib), a novel, targeted treatment for patients with EGFR-mutated non-small cell lung cancer. Osimertinib is approved in more than 75 countries. DuPont for Solamet® PV17x, a metallization paste that pioneered the use of lead tellurite chemistry, a game changer in the solar energy industry. Pfizer for Inlyta® (axitinib), a standard of care for the treatment of advanced renal cell carcinoma after failure of one prior systemic therapy. Seattle Genetics for ADCETRIS® (brentuximab vedotin), which uses the company’s industry-leading antibody-drug conjugate (ADC) technology and is currently approved for the treatment of multiple CD30-expressing lymphomas. We invite you to apply for the 2019 Heroes of Chemistry Awards. Nominations are open from December 2018 through March 1, 2019. Visit www.acs.org/heroes or email [emailprotected] for more information. The Heroes of Chemistry is an annual award program sponsored by ACS recognizing scientists whose innovative work in chemistry and chemical engineering led to successful commercial products that benefit the world.

August 19, 2018 12:00 PM–1:00 PM

Chemistry Educators Luncheon

Seaport World Trade Center

Waterfront Ballroom 1/2

4:00 PM–5:30 PM

Networking Globally Reception

Sheraton Boston Hotel

Independence East

5:30 PM–7:30 PM

IAC International Welcome Reception

Sheraton Boston Hotel

Back Bay C/D

6:30 PM–7:30 PM

Heroes of Chemistry Reception

Westin Copley Place, Boston

America Center

7:30 PM–10:00 PM

Heroes of Chemistry Dinner and Ceremony

Westin Copley Place, Boston

America North

August 20, 2018 6:45 AM–9:00 AM

YCC/MIP Guided 5K Run Honoring Christine Lopes

Boston Convention & Exhibition Center

North Lobby Entrance

7:30 AM–9:00 AM

Women in the Chemical Enterprise Breakfast

Sheraton Boston Hotel

Constitution A

9:30 AM–11:30 AM

Women Chemists of Color Networking Event

Sheraton Boston Hotel

Commonwealth

11:30 AM–1:30 PM

CMA Luncheon

Sheraton Boston Hotel

Constitution B

12:00 PM–1:30 PM

National Science Foundation’s Conversations & Luncheon

Westin Boston Waterfront

Galleria

12:00 PM–1:30 PM

CHAL Networking Lunch

Westin Boston Waterfront

Webster

12:00 PM–1:30 PM

Eminent Scientist Lecture and Luncheon

Seaport World Trade Center

Cityview Ballroom 1/2

6:30 PM–9:30 PM

Chinese-American Chemical Society Dinner Banquet

Hei La Moon Restaurant

88 Beach Street

August 21, 2018 7:30 AM–9:30 AM

Senior Chemists Breakfast

Sheraton Boston Hotel

Republic A/B

7:30 AM–9:30 AM

University of Minnesota Alumni & Friends Breakfast

Seaport Boston Hotel

Lighthouse II

12:00 PM–1:30 PM

CINF Division Luncheon

Westin Boston Waterfront

Grand Ballroom A

12:00 PM–1:30 PM

WCC Luncheon

Sheraton Boston Hotel

Republic A/B

12:15 PM–1:45 PM

COLL Luncheon

Boston Convention & Exhibition Center

Room 210C

5:00 PM–7:00 PM

Analytical Division Reception

Westin Boston Waterfront

Marina Ballroom IV

6:00 PM–8:00 PM

ENVR Division Reception

Tico Boston

202 Berkeley Street

6:00 PM–10:00 PM

ENFL Division Dinner

Tuscan Kitchen

64 Seaport Boulevard

7:00 PM–9:00 PM

ACS NASA Space Symposium Reception

Westin Boston Waterfront

Harbor Ballroom I

41

TICKETED SOCIAL & SPECIAL EVENTS

Ticketed Social & Special Events

ACKNOWLEDGEMENTS & APPRECIATION

Acknowledgements & Appreciation

ACS Divisions and Committees are grateful for the financial donations and other contributions received throughout the year and specifically toward the National Meeting. Our accomplishments are due in large part to this support. All of us at ACS acknowledge our appreciation to the many government agencies, educational institutions, organizations, and companies listed on the next page, as well as the others omitted from this list because of printing deadlines.

We Thank Our Volunteers for Their Dedication and Hard Work

ACS Volunteers contribute thousands of hours of service to create and implement programs that promote our science, benefit our members, and contribute to the development of our communities. Thanks to your contributions, the Society provides its over 150,000 members with: • • • • •

Powerful networks on the local, regional, and national levels Specialized technical information and research Expansive career enhancement materials Award-winning publications Meetings and expositions that set industry standards for excellence.

ACS salutes the outstanding volunteer efforts that have contributed to the success of this year’s national and regional meetings, including division chairs, national meeting program officers, regional meeting organizers and program chairs, symposium organizers, session and award presiders, short course and workshop instructors, career counselors, and all members of the Society’s governance. To get involved, go to www.acs.org.

42

Division of Agricultural & Food Chemistry Japanese Society for Food Factors Division of Agrochemicals BASF Bayer CropScience Corteva Agriscience CropLife America Golden Pacific Laboratories ISK Biosciences JRFA SETAC North America Stone Environmental, Inc. Syngenta Division of Analytical Chemistry ACS Sensor College of Arts and Sciences, and Department of Chemistry and Biochemistry, University of Alabama Genovis Inc. ISS, Inc. Waters Corporation Division of Business Development & Management CIEC SQA (Society of Quality Assurance) Division of Chemical Education ACS DivCHED Committee on Chemistry Education Research ACS Northeastern Local Section GCI German Chemical Society I&EC Green Chemistry IPEC Strem Chemicals, Inc.

Division of Chemical Information Chemical Structure Association Trust IUPAC Committee on Publications and Cheminformatics Data Standards (CPCDS) Division of Computers in Chemistry BIOVIA Division of Environmental Chemistry Royal Society of Chemistry SETAC North America Division of Inorganic Chemistry HORIBA Scientific University of South Carolina NanoCenter Division of Organic Chemistry Elsevier Form-Tech (Montreal, Canada) Division of Polymer Chemistry POLY Industrial Advisory Board

ACKNOWLEDGEMENTS & APPRECIATION

Supporters

Division of Polymeric Materials Science & Engineering ACS Biomacromolecules ACS Central Science ACS Macro Letters ACS Macromolecules Agilent Technologies Akron Ascent Innovations, LLC Bioconjugate Chemistry (ACS Journal) Chem Chemglass Life Sciences Chemistry of Materials Chinese Chemical Society (CCS) — Polymer Division Eastman Chemical Company ExxonMobil Chemical Co. Formosa Plastics Co., USA Henkel Corporation IBM IKA Works, Inc. JACS Joule (Cell Press) Kaneka Americas Holding, Inc. Kurt J. Lesker Company LC Technology Solutions Macromolecules Micrometrics Instrument Corp. MilliporeSigma Polymer (Elsevier) PPG Industries, Inc. Pure Process Technology Royal Society of Chemistry Solvay Specialty Polymers Southwest Petroleum University Strem Chemicals, Inc. Tosoh Bioscience Wiley Division of Small Chemical Businesses Osha Liang LLP Saul Ewing Arnstein & Lehr LLP Multidisciplinary Program Planning Group Gordon & Betty Moore Foundation

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Join us at the ACS Booth Theater axial.acs.org/boston-2018

Monday, August 20th 9:00 – 9:30 AM Learn more about one of the newest journals in the ACS Publications family in a discussion with managing editors and video chat with Editor-in-Chief Patrick Sexton

Tuesday, August 21st 12:30 – 1:00 PM Celebrate with editors and authors as we kick off the 140th Anniversary of the Journal of the American Chemical Society

LEARN MORE AT THE ACS PUBLICATIONS BOOTH

Are the wrong tools putting your funding at risk?

Get Funded.

Bring your research team to the ACS booth to learn more.

www.cas.org/GetYourGrant

The Versatile Use of Flow Technology in the Modern Chemistry. ThalesNano Nanotechnology Inc. Booth 1615. Sunday. Boston Convention & Exhibition Center, Room 155. 2:45 PM to 4:45 PM. An interactive session of presentations and discussions with industry and academic leaders in the field of flow chemistry and its application to pharmaceutical and agro-chemical research and development. Attendees will learn the fundamentals of flow chemistry expressed through presentations on a wide variety of reactions and examples. Good NMR Spectroscopic Practices & NMR Beyond Proton, Carbon and Nitrogen. Bruker BioSpin. Booth 708. Monday. Boston Convention & Exhibition Center, Room 155. 9:30 AM to 11:45 AM. This will be a two-part workshop. The first part will discuss many procedures that lead to better NMR data; including sample preparation, instrument calibration, and adjustment of acquisition parameters. The second part will discuss how to acquire data from a wide variety of nuclei in the liquid state. Tips on how to prepare the instrument for a never before acquired nucleus will be shown with many examples. For more information and to register: www.bruker.com/events/acs.html. ChemDraw 18 Featuring Reaxys: What’s New? PerkinElmer. Booth 927. Monday. Boston Convention & Exhibition Center, Exhibit Hall A, Expo Theater 1. 1:15 PM to 2:15 PM. This workshop will give a sneak peek into the new features coming up in ChemDraw 18, such as the new Elsevier Reaxys integration with ChemDraw and the ChemACX Explorer add-in, as well as the shared libraries of HELM Monomers. We will also highlight the latest additions to ChemDraw, such as facilitated copy/pasting, IUPAC namebased atom numbering, CAS RN to Structure from ChemACX add-in, and, as always, some tips and tricks to get the most out of organic chemists’ favorite software application. Mobile Mass Spectrometry — Taking the Laboratory to the Field. Advion. Booth 1908. Tuesday. Boston Convention & Exhibition Center, Exhibit Hall A, Expo Theater 1. 9:30 AM to 10:30 AM. When instant mass analysis became paramount to the Sheffield University Plant Production and Protection (P3) team, they took the laboratory directly to the field utilizing the expression Compact Mass Spectrometer from Advion. The system provides direct sample analysis of liquids, solids and powders and provides mass spectral information within seconds. This enabled the Sheffield team to obtain rapid detection of metabolite markers in plant samples within the field environment, rather than waiting days for results from the lab. This workshop features the research led by Professor Mike Burrell and Dr. Heather Walker, highlighting how they turned their SUV into a mobile mass spec unit capable of screening the fields to obtain rapid metabolite analysis of several different varieties of wheat. “The utilization of this equipment is of huge benefit as it allows the knowledge that we have gained in the laboratory to be transferred and monitored quickly and easily in the field,” said Dr. Walker. “Using this technology can provide higher detail data on crops in the field than previously possible.”

Discussion Panel: Data Needles in the Content Haystack. SpringNature. Booth 615. Tuesday. Boston Convention & Exhibition Center, Exhibit Hall A, Expo Theater 2. 10:45 AM to 11:45 AM. Modern scientific research now gives us more data than ever, but sorting through the information flood also brings unique challenges. Powerful tools optimized for specific subjects can help quickly and easily find data on-demand. This panel explores some new, sophisticated searching tools in nanoscience, material science, and biotechnology. Near Infrared to THz Spectroscopy for Chemical Analysis. Bruker Optics. Booth 708. Tuesday. Boston Convention & Exhibition Center, Exhibit Hall A, Expo Theater 1. 12:00 PM to 2:15 PM. Identification of unknown chemicals is in high demand in both research and industrial communities. Organic materials exhibit absorption bands in MIR spectral range: 4000-400 cm-1, while inorganic compounds absorb in the FIR: 400-50 cm-1. Novel optical components have been designed and optimized to record spectra from 6500 cm-1 down to 50 cm-1 without needing to change any optical components. This saves an enormous amount of time in acquiring the complete molecular spectral information and eliminates the risk of breaking expensive optics during the exchange. In many cases, the need for conducting Raman analysis can be obviated. The following applications topics will be discussed in detail: Fast identification of organic and inorganic materials, geological samples and minerals, paint identification for forensics and art conservation, additives in polymers, crystallinity and polymorphism and combined MIR-FIR/THz spectral library.

Research in Germany Science Café. Research In Germany. Booth 2025. Tuesday. Boston Convention & Exhibition Center, Exhibit Hall A, Expo Theater 1. 3:45 PM to 4:45 PM. The Research in Germany Science Café will feature highlights of basic chemical research at German universities and non-university research institutes such as Max Planck. You will hear testimonials and explore your avenues to pursue research in one of the world’s leading countries for chemistry. Structure-Based Drug Design. Chemical Computing Group. Booth 1124. Wednesday. Boston Convention & Exhibition Center, Room 155. 3:45 PM to 4:45 PM. The course describes SBDD workflows in drug discovery projects and encompasses a range of topics from pharmacophore query generation to protein-ligand interaction fingerprints. More specifically, the course will cover the application of pharmacophores in the context of protein-ligand docking, scaffold replacement and R-group screening. A method for querying a 3D project database will also be presented along with the generation and analysis of protein-ligand interaction fingerprints (PLIF).

Harnessing the Power of Benchtop NMR in Your Lab. Magritek. Booth 1901. Tuesday. Boston Convention & Exhibition Center, Exhibit Hall A, Expo Theater 2. 12:00 PM to 2:15 PM. • “Implementation of Benchtop NMR into a Manufacturing Environment,” Dr. Travis Gregar, PhD, Advanced Research Specialist, 3M Corporate Research and Development • “Sodium NMR experiments on Spinsolve,” Guillaume Madelin, PhD, Assistant Professor, New York University • “Use of benchtop NMR to resolve over the counter analgesics: an undergraduate organic chemistry laboratory,” Ryan Blough, Immaculata University • “Advances in reaction monitoring with benchtop NMR,” Dr. Andrew Coy, Magritek Inc. • TBD: PPG, Andy Surface?

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WORKSHOPS

Workshops

EXHIBITOR LIST

Exhibitor List

Accela ChemBio Co. Ltd............................................. 2027

ACS Web Strategy & Operations................................... 222

Anasazi Instruments Inc............................................. 912

www.accelachem.com Accela ChemBio focues on the design, synthesis, manufacture and marketing of advanced R&D chemicals and pharmaceutical intermediates.

www.acs.org

www.aiinmr.com Anasazi Instruments, Inc. is the leading manufacturer of high field permanent magnet based NMR instruments along with the undisputed leader in resolution and sensitivity.

Ace Glass, Inc...........................................................1015

www.acs.org www.acs.org is the official website of the American Chemical Society and your one-stop shop to access everything ACS has to offer. Stop by the ACS Web booth, take a survey, and give us your feedback.

www.aceglass.com Ace Glass Inc has been a leader in scientific glass and lab equipment for over 80 years. Ace Glass provides quality US manufactured custom scientific glassware, including reactors from up to 200L.

Acrotein ChemBio Inc................................................. 719 www.acrotein.com Acrotein ChemBio Inc is a leading supplier and manufacturer of special research chemicals with 8000+ compounds in stock: Unnatural amino acids, organic acid, amine, heterocycles and inhibitors, etc.

CAREER FAIR PRIVATE MEETING ROOM

ACS Web Strategy & Operations..................................1418

Adam Equipment........................................................ 922 www.adamequipment.com For more than 45 years, professionals worldwide have relied on Adam Equipment for a wide selection of dependable weighing equipment. Adam provides the right balance of speed, performance and value.

AdValue Technology....................................................2015

www.acs.org

www.advaluetech.com Specialized in Alumina, Fused Quartz, Sapphire and Zirconia. Large stock of crucibles, tubes and plates. Also offer custom parts, high purity powders, ceramic membrane, laser machining and metallization.

ACS Division of Small Chemical Businesses (SCHB)..... 1732

Advanced ChemBlocks Inc..........................................1019

ACS Benefits, Programs, Services...............................1418 www.acs.org

ACS Career Navigator................................................1418

www.acs-schb.org SMALL CHEMICAL BUSINESS & NON PROFIT

SCHB serves as clearinghouse of information, a forum for discussion, and liaison between chemical business and students. SCHB actively seeks collaboration with other ACS units and external partners.

ACS Education...........................................................1418 www.acs.org/education ACS Education Division serves learners and educators by building communities and providing education resources, grants, professional development opportunities, and guidelines.

ACS Green Chemistry Institute...................................1418 www.acs.org/gci

ACS Human Resouces................................................. 413 www.acs.org CAREER FAIR BOOTH

ACS Member Insurance Program.................................1418 www.acs.org/insurance Explore a wide array of insurance solutions available to ACS members, such as life and disability insurance, auto and homeowners, long-term care, professional liability, and more.

ACS Membership.......................................................1418 www.acs.org/memberhandbook

ACS Northeastern Section......................................... 2328 ACS Publications.......................................................1418

www.achemblock.com

Advanced Chemistry Development (ACD/Labs)............... 508 www.acdlabs.com

Advion..................................................................... 1908 www.advion.com Using our deep scientific and engineering knowledge of mass spectrometry and microfluidics, we create quality, flexible and fit-for-purpose solutions for life science and related industries.

AGI USA Inc.............................................................. 2224 www.asahiglassplant.com AGI is a scientific glassware manufacturer. Products include Rotary, Thin Film/Short Path Evaporators, Pressure, Filter and Nutsche Filter Reactors, Distillation, Liquid Extraction, Mini Plants.

Agilent Technologies..................................................1612

Anton Paar USA........................................................ 1221 www.anton-paar.com Anton Paar produces high-quality measuring and analysis instruments for laboratory, research and industrial applications. In the fields of density and concentration measurement, we are the world leader.

Arbutus Biopharma Inc............................................... 228 CAREER FAIR PRIVATE MEETING ROOM

Ark Pharm, Inc......................................................... 1529 Since 2007, Ark Pharm has been a leading supplier of research chemistry to pharmaceutical companies, universities, biotech companies, healthcare industries, contract research organizations, etc.

Art Robbins Instruments............................................ 532 SMALL CHEMICAL BUSINESS & NON PROFIT

Asahi Spectra Co., Ltd................................................1113 www.asahi-spectra.com We will exhibit optical filters and the MAX-350, which is useful for photochemical and photocatalytic studies such as artificial photosynthesis, photoisomerization, water splitting and so on.

Ascendia Pharmaceuticals........................................... 727 Astatech, Inc.............................................................. 818 www.astatechinc.com

AstraZeneca............................................................... 225 CAREER FAIR PRIVATE MEETING ROOM

Asylum Research, an Oxford Instruments Company..... 1024 www.oxford-instruments.com/afm Asylum Research, the technology leader in AFM, features the Cypher VRS, the first and only full-featured video-rate AFM imaging at 625 lines/second with easy operation and advanced capabilities.

AIP Publishing — The Journal of Chemical Physics........1912

Asynt, Ltd.................................................................. 825

www.jcp.aip.org The Journal of Chemical Physics publishes quantitative and rigorous science of long-lasting value in methods and applications of chemical physics.

Air Force Technical Applications Center (AFTAC)............ 308 CAREER FAIR BOOTH

AK Scientific, Inc........................................................ 515

ACS Regional Meetings..............................................1418

www.aksci.com Based in the San Francisco Bay Area, AK Scientific has served scientists and researchers nationally and globally for over ten years with quality-backed specialty and fine chemicals.

www.asynt.com Asynt is a manufacturer of novel equipment for chemistry laboratories — we focus on clean, safe, effective, spaceefficient and sustainable tools. Product lines include DrySyn, CondenSyn, ReactoMate.

BASF Corporation................................................130, 230 www.basf.us CAREER FAIR PRIVATE MEETING ROOM

BASF Corporation....................................................... 330 www.basf.us CAREER FAIR BOOTH

Aldlab Chemicals, LLC................................................2127

Bellen Chemistry........................................................ 725

www.aldlab.com

www.bellenchem.com

Alichem Inc................................................................ 813

Bentham Sciences Publishers Ltd.............................. 2223

www.acs.org/meetings

www.alichem.com

ACS Senior Chemists................................................ 2028

American Physical Society........................................... 713

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Andor is a global leader in the development and manufacturing of high-performance scientific cameras, spectroscopy solutions and microscopy systems to match your application needs in research and OEM.

www.agilent.com/chem Agilent is your global partner for sample preparation, chromatography, mass spectrometry, elemental analysis, molecular spectroscopy, laboratory software, service, and supplies. www.agilent.com

www.pubs.acs.org FLAG ACS Publications is the most trusted, most cited, most read publisher in chemistry and related sciences. Visit our booth to learn more about ACS Pharmacology & Translational Science, ACS eBooks, and to celebrate the 140th anniversary of the Journal of the American Chemical Society! Visit with C&EN to learn about this year’s Talented 12 and what is new with the world’s most comprehensive and authoritative news source in chemistry and related fields.

The Senior Chemists Committee engages ACS members ages 50 and above who would like to remain active and offer their experience and expertise to younger chemists, students, and the chemical profession.

Andor Technology......................................................1021

www.journals.aps.org The American Physical Society is a non-profit membership society and publisher of the Physical Review journals. Visit booth 713 to learn about the research published in our journals.

www.benthamscience.com Bentham Science Publishers is a major STM journal and e-book publisher, helping to answer the information needs of the pharmaceutical and biomedical research community.

As of 7/20/2018

Carney, Sandoe & Associates....................................... 312

www.berryassoc.com Berry & Associates is a specialty chemical company that offers nucleosides, nucleoside analogs, modified nucleoside phosphoramidites, solid phase oligonucleotide synthesis supports, stable isotopes.

www.carneysandoe.com

Beyond Benign......................................................... 2732

CAS..........................................................................1418

www.beyondbenign.org

www.cas.org FLAG CAS is a global organization of expert scientists, technologists and business leaders offering products, like SciFinder® and STN® and scientific and technology solutions for your specific needs.

BioChromato............................................................ 1728 www.biochromato.com

BioCryst Pharmaceuticals Inc...................................... 221

CAREER FAIR BOOTH

Carney, Sandoe & Associates is an educational recruitment firm that matches teachers and administrators with jobs at K-12 independent schools worldwide, since 1977.

CAREER FAIR PRIVATE MEETING ROOM

Cell Press................................................................ 1508

Biotage....................................................................2115

Cell Press is the home for seminal and insightful chemistry research, showcasing how fundamental studies in chemistry and sub-disciplines may help find solutions to the global challenges of tomorrow.

www.biotage.com Biotage is a global Life Science company that develops innovative and effective solutions for separation within organic and analytical chemistry, as well as for industrial applications.

CEM Corp..................................................................1815

BrandTech Scientific..................................................1118 www.brandtech.com BrandTech® Scientific offers lab equipment including the BRAND® LHS pipetting robot and liquid handling products; VACUUBRAND vacuum pumps; VITLAB plastics; BLAUBRAND glassware; and BOCHEM support jacks.

Brewer Science, Inc.................................................... 219 CAREER FAIR PRIVATE MEETING ROOM

Brewer Science is a global technology leader in developing and manufacturing innovative materials and processes for the fabrication of semiconductors and microelectronic devices.

Brewer Science, Inc.................................................... 313

www.cem.com CEM is a leading provider of innovative, advanced microwave laboratory systems for chemical synthesis, sample preparation, and bioscience applications.

Chemglass Life Sciences........................................... 2208 www.cglifesciences.com

Chemical Computing Group........................................1124 www.chemcomp.com FLAG CCG is a leading supplier of software solutions for life sciences. CCG’s main software is MOE, which is used by computational chemists, medicinal chemists and biologists throughout the world.

Chemrus Inc............................................................ 1232 www.chemrus.com

CAREER FAIR BOOTH

SMALL CHEMICAL BUSINESS & NON PROFIT

Brewer Science is a global technology leader in developing and manufacturing innovative materials and processes for the fabrication of semiconductors and microelectronic devices.

Chemrus developed the world’s first disposable filter funnel for solid-liquid separation and reaction flasks, which can be kept upright on the bench without the use of cork rings.

Bristol-Myers Squibb.................................................. 409 We are a global biopharmaceutical company whose mission is to discover, develop and deliver innovative medicines that help patients prevail over serious diseases.

www.chemshuttle.com Founded in 2010 by medicinal chemists for chemists, ChemShuttle is a premier chemistry contract research organization (CRO) and research chemical supplier serving the life science community.

Brookhaven Instruments Corp................................... 1224

ChemSpace US Inc.................................................... 1727

Brookhaven Instruments provides techniques for particle size, zeta potential and molecular weight determination. Brookhaven’s instrumentation and expertise will help you get the results you need.

www.chem-space.com Chemspace is the largest online catalog that covers all available drug discovery-relevant chemical space of building blocks, fragments and screening compounds in the world.

Bruker....................................................................... 708

Chengdu Aslee Biopharmaceuticals, Inc...................... 1025

CAREER FAIR BOOTH

www.bruker.com A leading analytical instrumentation company, Bruker offers a wide range of applications in chemistry and life sciences as well as solutions for materials research and nanotechnology.

Chemshuttle.............................................................. 822

www.asleechem.com

Cintas Corporation................................................... 1829 STAR

California State Polytechnic University, Pomona........... 415

CombiPhos Catalysts, Inc...........................................1121

CAREER FAIR BOOTH

Cal Poly Pomona is part of the California State University system, is among two polytechnic universities in California, and is strongly committed to scholarship, research, and student achievement.

www.combiphos.com CombiPhos Catalysts, Inc. markets unstable intermediates: pyridine-2-boronic acids, thiazole-4-boronic acids, imidazole4-boronic acids, pyrazine-2-boronic acids, and novel deuterium reagents.

Camag Scientific, Inc................................................ 1028

CONFLEX Corp...........................................................1116

FLAG

www.camagusa.com CAMAG is the leader in instrumental Thin-Layer Chromatography. We provide high-end instruments, tools and concepts for TLC/HPTLC. We support our customers with training, technical and lab services.

www.conflex.net CONFLEX permits fast, accurate, automated conformation searching and analysis critical to drug discovery, chemical engineering and material design. Also, crystal structure calculation and search.

Cambridge Crystallographic Data Ctr......................... 1227

COSMOlogic GmbH & Co. KG.......................................2619

www.ccdc.cam.ac.uk The CCDC is dedicated to the support of chemistry and crystallography for the public benefit, through the Cambridge Structural Database (CSD), the word’s repository for small molecule structural data.

CP Lab Safety............................................................2319

Carbosynth LLC.......................................................... 812 www.carbosynth.com Carbosynth is one of the largest suppliers of carbohydrates, nucleosides and fine chemicals. We also offer custom synthesis services.

www.cosmologic.de www.cplabsafety.com Emery Pharma is a CRO, specializing in chemistry, microbiology, and general cGMP/GLP or R&D support. CP Lab Safety offers a large selection of safety ECO Funnels, customized with HPLC and port caps.

Dalian Institute of Chemical Physics............................ 310

Dalian Institute of Chemical Physics, Chinese Academy of Sciences................................................... 410 Dalian University of Technology, Zhang Dayu School of Chemistry................................................... 121 CAREER FAIR PRIVATE MEETING ROOM

Dalian University of Technology, Zhang Dayu School of Chemistry................................................... 416 CAREER FAIR BOOTH

Delong America.......................................................... 609 www.lv-em.com Delong is proud to be the world leader in benchtop Low Voltage Electron Microscopes (LVEM) and the only company offering Transmission Electron Microscopes (TEM) in a benchtop format.

Ebatco......................................................................1129 www.ebatco.com Ebatco is an ISO 17025 accredited independent testing lab. Supporting R&D and product testing, Ebatco delivers high quality solutions for your analytical and characterization needs.

Edinburgh Instruments............................................. 1808 www.edinst.com Edinburgh Instruments is the global leader in the development and manufacturing of fluorescence spectrometers, transient absorption spectrometers, picosecond laser sources and gas laser systems.

Elsevier................................................................... 1509 www.elsevier.com Elsevier is a global information analytics business that helps institutions and professionals advance healthcare, open science and improve performance for the benefit of humanity.

Extrel CMS................................................................1416 www.extrel.com Extrel is the world’s leading manufacturer of research and process mass spectrometers, residual gas analyzers, and quadrupole mass spectrometry components.

EZLife Bio Inc........................................................... 1528 www.ezlife.bio EZLife Bio Inc. is crafting the future of molecular testing. EZLife’s EFIRM technology uses multiplexed electrochemical biosensors and conducting polymers to streamline molecular testing.

Faster Chemistry LLC................................................ 1632 SMALL CHEMICAL BUSINESS & NON PROFIT

Forget the separatory funnel with FastWoRX™! Replace time- and solvent-wasting liquid-liquid extractions with a simple solids separation. Work-ups in half the time or less and no emulsions.

Formulaction USA..................................................... 1809 www.formulaction.com Formulaction showcases the Turbiscan line of devices for stability analysis, the Rheolaser line of instruments for rheology measurements, and the Fluidicam RHEO for rapid viscosity acquisition.

Fulbright Scholar Program.......................................... 728 www.cies.org

Galbraith Laboratories Inc.........................................2510 www.galbraith.com

Gamry Instruments.................................................. 2016 www.gamry.com

Gate Scientific, Inc................................................... 1532 www.gatescientific.com Star Award winning smartSENSE Wireless Temperature sensing Stir-Bar and Hotplate workstation with pH sensing and WiFi remote access — Formulations, Reactions and Titrations made easier than ever.

www.dicp.ac.cn

Star 

CAREER FAIR BOOTH

FLAG Sponsor

New Exhibitor

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EXHIBITOR LIST

Berry & Associates................................................... 1628

EXHIBITOR LIST

As of 7/20/2018

Gaussian..................................................................1215

InfoChem GmbH........................................................1916

KRUSS Scientific Instruments, Inc............................. 1427

www.gaussian.com Gaussian is the world leader in electronic structure computational chemistry programs. The Gaussian series of programs are available on every major computing environment, from PCs to supercomputers.

www.infochem.de InfoChem is a software company offering cheminformatics tools. Main activities are synthesis planning, reaction prediction and automatic extraction of scientific information from text and images.

www.krussusa.com As the world’s leading supplier of measuring instruments for surface and interfacial tension, our offer is a combination of technology and scientific consulting.

GERSTEL Inc..............................................................2419

InnoStudio Inc..........................................................1616

www.gerstelus.com Manufacturer of sample prep workstations and integrated analytical solutions for LC, GC, GC/MS, and LC/MS designed to optimize performance, enhance productivity, and extend laboratory capabilities.

Our company is specialized in high-risk and high-potential technical innovation. Our studios are focusing towards nanotechnology, bringing flow chemistry and other chemical technology to the space.

Getson & Schatz, P.C.................................................. 309 www.researchergreencard.com

FLAG

CAREER FAIR BOOTH

GSK........................................................................... 227 CAREER FAIR PRIVATE MEETING ROOM

Hamby Law Firm — Patents....................................... 2625 hambylaw.com

Star

Harrick Scientific......................................................1127 Manufacturer of a complete line of IR-UV Vis spectroscopy accessories. Includes a large selection of diamond ATR, heated and high-pressure cells.

Harvard Apparatus................................................... 2308 www.harvardapparatus.com Harvard Apparatus offers a broad selection of syringe, peristaltic and continuous flow pumps. Featuring accurate flow with reduced setup time using the intuitive touch screen and icon interface.

Heidolph North America............................................ 1708 www.heidolphna.com Heidolph North America’s focus is on providing unparalleled sales and support of premium lab equipment. Heidolph specializes in rotary evaporation, overhead stirrers, and magnetic hotplate stirrers.

Hellma USA...............................................................1013 www.hellma.com Hellma is the world leader in the market of optical analysis technology for optical components in quartz. Its highquality precision allows for reliable measurement results in production, QC and research.

HepatoChem Inc......................................................... 632 www.hepatochem.com SMALL CHEMICAL BUSINESS & NON PROFIT

Hiden Analytical Inc...................................................1115 www.hidenanalytical.com Hiden Analytical manufactures precision mass spectrometers for gas analysis, materials characterization and surface science. Showcasing our Catlab system for catalysis studies.

HORIBA Scientific..................................................... 1027 www.horiba.com/scientific HORIBA Scientific: Raman spectroscopy, hybrid-modulartransmission, AFM-Raman. Optical components, scientific cameras, light sources, CCDs/detectors. Custom solutions: modular Raman, TR-PL, CL, VUV.

HP, Inc....................................................................... 232 CAREER FAIR PRIVATE MEETING ROOM

Huateng Pharma........................................................ 722 www.chemreagents.com

IBM Research GmBH................................................... 530 IKA Works, Inc...........................................................1108 www.ika.com IKA laboratory technology offers a wide range of innovative equipment for numerous applications in research and development.

Imperia Engineering Partners................................... 2128 www.imperiaep.com Imperia’s interdisciplinary team of engineers, scientists, and technical specialists matched with a top-notch facility goes beyond standard laboratory analyses in order to tackle challenging problems.

Inert......................................................................... 621 www.inerttechnology.com

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Institute of Physics, Chinese Academy of Sciences........ 410 CAREER FAIR BOOTH

L’Oréal USA................................................................ 408 CAREER FAIR BOOTH

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LABCONCO, Corp......................................................... 913 www.labconco.com Since 1925 Labconco Corporation has manufactured the highest quality laboratory equipment. They will be displaying a glove box, glassware washer and freeze dryer at this year’s ACS meeting.

IntelliSyn................................................................. 1627

LabX Media Group.................................................... 2621

www.intellisynrd.com

www.labxmediagroup.com LabX Media Group is an information and marketing company that provides scientific intelligence and marketing solutions to researchers seeking to discover new ideas and approaches for their labs.

Star

Interchim Inc............................................................2418 www.interchiminc.com Manufactures chromatographic instruments to support prep HPLC, MPLC and flash. Enhancements include MS, ELSD, conductivity and RI. Column product range comprised of prep HPLC, flash, MPLC, SPE, and HPLC.

IOP Publishing..........................................................2132 www.ioppublishing.org SMALL CHEMICAL BUSINESS & NON PROFIT

Lhasa Limited........................................................... 2422 www.lhasalimited.org Lhasa Limited, a pioneer in developing software that delivers scientifically robust results. Including Mirabilis, for purge factors, Zeneth for degradation, and Derek and Sarah Nexus, for toxicology.

IOP Publishing provides a range of journals, ebooks, conference proceedings, and digital products services covering research in the physical sciences and beyond.

LinkedIn............................................................. 118, 119

Janis Research Company, LLC......................................1128

LS Instruments AG................................................... 2425

www.janis.com Cryogenic research equipment for FTIR, Mossbauer, microRaman, micro-PL, UV/visible and NMR spectroscopy; DAC; nanoscale applications. Visit our booth to speak with a qualified applications scientist.

www.lsinstruments.ch LS Instruments makes high-quality light scattering instruments for multi-angle Static and Dynamic Light Scattering (MADLS/DLS/SLS) along with microrheology using Diffusing Wave Spectroscopy (DWS).

Japan Analytical Industry Co. Ltd................................. 832

Lubrizol Corporation................................................... 224

www.jai.co.jp/english/index.html

www.lubrizol.com

SMALL CHEMICAL BUSINESS & NON PROFIT

CAREER FAIR PRIVATE MEETING ROOM

JASCO...................................................................... 1825

M. BRAUN, Inc...........................................................2412

www.jascoinc.com

www.mbraun.com MBRAUN is a leading manufacturer of high-end solutions including inertgas gloveboxes and gas purification systems, high-end vacuum deposition systems and a complete line of integrated process tools.

JEOL USA, Inc............................................................. 218 www.jeolusa.com CAREER FAIR PRIVATE MEETING ROOM

JEOL is a world leader in analytical instrumentation including: Liquids and Solids NMR, MALDI and MALDI imaging MS, RT Gas Analysis/MS, GC/MS, DART/MS, SEM, TEM, Auger, and EPMA.

JEOL USA, Inc........................................................... 1608 www.jeolusa.com JEOL is a world leader in analytical instrumentation including: Liquids and Solids NMR, MALDI and MALDI imaging MS, RT Gas Analysis/MS, GC/MS, DART/MS, SEM, TEM, Auger, and EPMA.

J-KEM Scientific.........................................................1212 www.jkem.com

Keit Spectrometers..................................................... 612 www.keit.co.uk Keit provides in-line process analysis of liquids with rugged IRmadillo FTIR spectrometer. Certified safe for use in hazardous environments, it enables real-time reaction analysis for manufacturers.

KembloX.................................................................. 1832 www.kemblox.wordpress.com SMALL CHEMICAL BUSINESS & NON PROFIT

KembloX — educational tool for modeling aspects of the chemistry of ionic compounds, by visual and tactile means, hence the motto make the hands see™.

CAREER FAIR PRIVATE MEETING ROOM

Macherey-Nagel Inc.................................................. 1827 www.mn-net.com MACHEREY-NAGEL — founded in 1911 — is a specialty manufacturer of chromatography products for HPLC, GC, TLC and SPE. Our NUCLEOSIL® brand is still used in many methods today.

Magritek Inc.............................................................1910 www.magritek.com Magritek is the global leader in manufacturing cryogen-free benchtop NMR spectrometers with the highest sensitivity and resolution available in the analytical instrument market.

Malvern PANalytical.................................................. 2508 www.malvern.com Malvern Panalytical’s advanced technologies help characterize proteins and biomolecules from basic research to drug formulation: DLS, DSC, ITC, MDRS, SEC/GPC, NTA, TDA, RMM, XRD, XRF, and Rheology.

Maruzen Co., Ltd.......................................................1512 www.maruzen.info/hgs Maruzen International Co., Ltd (MIC) is the leading distributor of globally renowned HGS Molecular Model. The company is located in Secaucus, NJ. Manufactured in Japan.

Materials Research Society....................................... 2228

SMALL CHEMICAL BUSINESS & NON PROFIT

An interdisciplinary scientific society renowned for its Spring and Fall Meetings, MRS is your home to present and publish in the most important and rapidly advancing fields of materials research.

KNF Neuberger..........................................................1415

mcule.com Kft.......................................................... 1527

Key Organics Inc...................................................... 1932 www.keyorganicsinc.com

www.knfusa.com Visit KNF for the latest in laboratory vacuum pumps and systems, rotary evaporators, and liquid pumps. Be sure to enter our Count the Skittles contest for your chance to win Sony wifi headphones!

www.mcule.com

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As of 7/20/2018

Mystaire.................................................................... 721

Organix Inc.............................................................. 2324

www.future-science-group.com MedChemNet is a free-to-access online community encompassing all aspects of the drug discovery pipeline, focusing on the design and preclinical testing of small molecules for the treatment of disease.

www.mystaire.com

www.organixinc.com Organix conducts Contract Research in Synthetic Organic and Medicinal Chemistry. We provide services at the discovery end of drug discovery. Organix owns and operates a state-of-the-art facility.

Mestrelab Research SL............................................... 624

www.nanohub.org nanoHUB.org hosts free online simulation tools, online presentations, cutting-edge nanoHUB-U short courses, and more.

www.mestrelab.com Mestrelab Research provides easy-to-use applications for basic or advanced NMR and LC/GC/MS data processing, analysis, and reporting. Stop by booth #624 to see the latest in our Mnova and Mbook software.

Metrohm USA, Inc.................................................... 2221 www.metrohmusa.com

Mettler-Toledo North America...................................... 815 www.mt.com METTLER TOLEDO is a leading global manufacturer of precision instruments and is the world’s largest manufacturer and marketer of weighing instruments for use in laboratory applications.

MicroLAB, Inc............................................................2216 www.microlabinfo.com MicroLAB creates high resolution chemistry lab interface instruments serving freshman to undergraduate researchers. User-friendly software provides visualization and effective use of lab time.

Micromeritics Instrument Corp..................................1112 www.micromeritics.com Micromeritics manufactures and globally distributes automated analytical laboratory instruments that measure physical characteristics of powders and solids.

Microyn Technologies Inc.......................................... 2332 www.microyntech.com Star Microyn Technologies Inc. is a supplier of scientific instruments and consumables. We strive to provide reliable products at competitive prices to help research and development to reach full potential.

Nanalysis Corp..........................................................1913 www.nanalysis.com

nanoHUB................................................................. 2622

Nanome..................................................................... 625 nanome.ai

Nanoscience Instruments...........................................2616 www.nanoscience.com

NASA......................................................................... 527 www.nasa.gov

National Library of Medicine..................................... 1927

neaspec GmbH........................................................... 724 www.neaspec.com neaspec is dedicated to delivering innovative solutions for nano-probe based optical and mechanical imaging and spectroscopy for advanced material characterization.

New Era Enterprises................................................... 608 www.newera-spectro.com Precision NMR sample tubes from micro to large diameter MRI cells, screw thread, tip-off, pressure valve, non-glass sample cells; capillary systems for limited sample; RDC sample prep devices.

NMX Research and Solutions Inc............................... 2532 Our ambition is to become a leader in NMR spectroscopy which, coupled with molecular biology, biochemistry and other biophysic tools, will allow for identification of seeds for innovative drugs.

MilliporeSigma..........................................................2218

NT-MDT AMERICA, INC............................................... 1228

SMALL CHEMICAL BUSINESS & NON PROFIT

MIT Press books and journals are known for their intellectual daring, scholarly standards, and distinctive styles. Stop by our booth to enjoy a 30% discount on all books.

Molecular Knowledge Systems..................................... 932 www.molecularknowledge.com SMALL CHEMICAL BUSINESS & NON PROFIT

We provide: Cranium, software for physical property estimation; Synapse, software for chemical product design; consulting services for chemical product innovation.

Molymod Models — Spiring Ltd.................................... 610 www.molymod.com Molymod® Molecular and atomic models, made in Sussex, England, by Spiring Enterprises Ltd, for chemistry and biochem at school, college, or university. Purchase directly or via approved US-based distributors.

Monsanto................................................................ 1625 www.monsanto.com

MPD Chemicals.........................................................2515 www.mpdchemicals.com MPD Chemicals is a US-based manufacturer of specialty chemicals including: unique monomers, polymer development, organosilicon chemistries, ligands, organometallics, and stable isotope labeling.

Oxford University Press.............................................. 924

Paraza Pharma Inc....................................................2516

www.nsf.gov

SMALL CHEMICAL BUSINESS & NON PROFIT

www.mitpress.mit.edu

www.oxford-instruments.com/pulsar Pulsar is a high-resolution, 60MHz benchtop NMR spectrometer, providing 1- and 2-D NMR spectra of 1H, 19F, 13C and other nuclei.

National Science Foundation..................................... 2624

www.milestonesci.com Milestone, a leader in microwave sample prep provides innovative solutions for microwave digestion, solvent extraction, mercury analysis, synthesis, ashing, acid purification & acid system cleaning.

MIT Press................................................................ 2032

Oxford Instruments.................................................. 1022

www.oup.com/us Oxford University Press is a department of the University of Oxford. It furthers the University’s objective of excellence in research, scholarship, and education by publishing worldwide.

www.nmxresearch.com

MilliporeSigma provides scientists with best-in-class lab materials, technologies and services. EMD Millipore and Sigma-Aldrich, we now have a broad portfolio of 300,000 products and a global footprint.

www.originlab.com Origin is an industry-leading graphing and data analysis software for science and engineering. Extend Origin’s graphing and analysis capabilities by installing Apps from the OriginLab website.

www.nlm.nih.gov The National Library of Medicine provides FREE Internet access to its environmental health, toxicology, chemical, and hazardous substances resources.

Milestone, Inc.......................................................... 2325

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OriginLab Corp......................................................... 2227

www.ntmdt.com

Oak Ridge National Laboratory.................................... 412 CAREER FAIR BOOTH

Oak Ridge National Laboratory is the largest DOE science and energy laboratory, conducting basic and applied research to deliver transformative solutions to compelling problems in energy and security.

Oakwood Products Inc.............................................. 1008 www.oakwoodchemical.com Oakwood Chemical, a manufacturer and distributor, supplies research chemicals to the pharmaceutical, agrochemical, and materials research communities. The Oakwood listing contains over 208,000 items.

Ocean Optics, Inc.......................................................1515 www.oceanoptics.com Ocean Optics is the applied spectral knowledge company. We offer UV-Vis, NIR, MIR and Raman spectrometers; chemical sensors; multispectral sensors and cameras; and optical fibers and components.

OmegaChem Inc.........................................................2615 www.omegachem.com

www.parazapharma.com Premium drug discovery service provider with proven expertise in lead identification and optimization leading to drug candidates (medicinal chemistry, bioassays, DMPK, scale up and biology).

Park Systems, Inc.....................................................1010 www.parkafm.com Park Systems is a manufacturer of atomic force microscopy (AFM) systems with a range of products for the materials research, semiconductor, and storage industries. Learn more at www.parksystems.com.

Parker Autoclave Engineers....................................... 2230 www.autoclaveengineers.com Star Stirred and Non-Stirred Reaction Pressure Vessels with ASME code Stamp or CE Mark. MagneDrive Packless Agitator — variety of blades for mixing or catalyst baskets for spinning. zero leakage.

Parr Instrument Co.................................................. 1408 www.parrinst.com Extensive product line includes stirred reactors, pressure vessels, high pressure tubular reactors, reactor systems, oxygen bomb calorimeters, sample preparation vessels and cell disruption vessels.

Particle Sizing Systems............................................ 1428 www.pssnicomp.com

PASCO scientific........................................................2415 www.pasco.com PASCO, the award-winning leader in hands-on, inquiry-based science, transforms science education and student learning with innovative probeware, software, and curriculum.

Patheon Pharmaceuticals............................................ 315 CAREER FAIR BOOTH

PCI Synthesis........................................................... 1729 www.pcisynthesis.com

PerkinElmer Environmental Health.............................. 927 PerkinElmer, Inc. is a global leader focused on improving the health and safety of people and their environment.

Pharmablock USA, Inc................................................1012 www.pharmablock.com

Omicron Biochemicals, Inc........................................ 2632 www.omicronbio.com SMALL CHEMICAL BUSINESS & NON PROFIT

Omicron develops methods to introduce stable isotopes, 13C, 2H, 15N and 18O, into carbohydrates, nucleosides/ nucleotides, and sugar-nucleotides. We also offer rare sugars, N-glycan and O-glycan.

ORAU/ORISE............................................................... 316 www.orau.org/maryland

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49

EXHIBITOR LIST

MedChemNet.............................................................. 512

EXHIBITOR LIST

As of 7/20/2018

PharmAgra Labs, Inc................................................. 2232

Renishaw Inc........................................................... 2322

Specac, Ltd...............................................................1122

www.pharmagra.com

www.renishaw.com/raman Renishaw is a recognized leader in Raman spectroscopy, producing high-performance Raman systems for a range of applications.

www.specac.com Specac is a high quality manufacturer of FTIR accessories and sample preparation products, bringing new and innovative solutions to the market place working in a number of different areas.

SMALL CHEMICAL BUSINESS & NON PROFIT

PharmAgra Labs is a chemistry CRO that for nineteen years has been conducting contract R&D in organic chemistry for a wide variety of industries including pharma/biotech (cGMP for CTM) and Electronics.

Photothermal Spectroscopy Corp................................. 928 www.photothermal.com

PIKE Technologies..................................................... 2013

Research In Germany................................................ 2025 www.dfg.de

Rigaku Americas Corp................................................1915 www.rigaku.com

www.piketech.com Spectroscopy Sampling Solutions. PIKE Technologies specializes in the development and manufacture of FTIR, NIR and UV-Vis accessories that enhance the performance of commercial spectrometers.

Risk and Safety Solutions........................................... 525

Pine Research Instrumentation................................. 2012

Royal Society of Chemistry....................................... 2008

www.pineresearch.com

Planta Analytica........................................................2518 www.plantaanalytica.com Star Planta Analytica is a leading provider in high-performance separation services including compound isolation and method development, process scale-up, and comprehensive natural product development.

PLOS......................................................................... 712

Star

PLOS (Public Library of Science) is a nonprofit Open Access publisher, innovator and advocacy organization dedicated to accelerating progress in science and medicine.

Prestwick Chemical...................................................2519 www.prestwickchemical.com Star Prestwick Chemical is a MedChem company providing unique smart chemical screening libraries (FDA drugs, Drug Fragments and medicinal chemistry services for the early stage of drug discovery.

PROTO Manufacturing................................................1114 [emailprotected] See how a PROTO Benchtop X-ray Powder Diffractometer can be integrated into your laboratory for exploring the behavior of your materials under gas environments, high-pressure and temperature.

Proton OnSite...........................................................2410 www.protononsite.com Proton OnSite is a leading manufacturer of laboratory on-site gas generators. We offer safe, affordable and high-performance gas generation solutions for the LCMS and GC lab market.

Pure Process Technology............................................. 828 www.pureprocesstechnology.com Pure Process Technology is a full-service OEM engineering purification process equipment with standard and custom systems in 3 categories: (1) solvent purification, (2) solvent dispensing, and (3) water purification.

PurePEG, LLC........................................................... 1828 www.purepeg.com/default.aspx

Quantachrome Corp...................................................1130 www.quantachrome.com

Quantum Analytics...................................................... 915 www.lqa.com Quantum Analytics is a value-added distributor of analytical instrumentation in the US. We offer technical services, leasing/financing programs, and are an authorized Agilent Technologies distributor.

Rachel Pricer Graphics LLC......................................... 732 www.rpricergraphics.com SMALL CHEMICAL BUSINESS & NON PROFIT

Rachel Pricer Graphics, LLC creates high-quality, thoughtfully designed scientific illustrations for presentations, posters, grants, and journal articles.

Regis Technologies................................................... 2321 www.registech.com Regis is a leading supplier of chromatography columns and reagents. Visit booth 2321 to learn about their new achiral SFC columns, chiral columns for LC and SFC, and specialty columns and reagents.

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www.riskandsafetysolutions.com

Roki S&S America Inc................................................2618 www.rokigrp.com www.rsc.org Our purpose is to advance excellence in the chemical sciences. Our expanding selection of journals, books, databases and magazines allows us to invest in the future of chemistry.

Schrödinger, Inc........................................................2112 www.schrodinger.com FLAG Schrödinger is a leading provider of advanced molecular simulations and enterprise software solutions and services for pharmaceutical, biotechnology, and materials research. Hands-on demos available.

SCICOL — Research Collaboration Made Simple............. 824 www.scicol.org SCICOL is the first platform dedicated to helping researchers find collaborators in a simple way and practically for free. It facilitates accessible, international and interdisciplinary collaboration.

Science/AAAS............................................................2318 www.aaas.org AAAS (The American Association for the Advancement of Science) publishes Science, a multidisciplinary peer-reviewed journal, and offers programs and career development resources for scientists.

Sciencix..................................................................... 521 www.sciencix.com Sciencix has been a trusted provider of quality HPLC instrumentation products for over 30 years. Our products are equivalent to the corresponding OEM parts such as Agilent®, Waters® and Shimadzu®.

Scilligence Corporation............................................... 819 www.scilligence.com

Semichem.................................................................1214 www.semichem.com AMPAC™ is our semiempirical quantum mechanical program including an AGUI for building and visualization. CODESSA™ is our advanced QSAR program that ties information from AMPAC™ with experimental data.

Sentinel Process Systems – Uniqsis........................... 1432 SMALL CHEMICAL BUSINESS & NON PROFIT

Shimadzu Scientific Instruments Inc.......................... 1208 www.shimadzu.com Shimadzu is the leading provider of analytical measurement and testing instrumentation.

Software for Chemistry & Materials...........................1119 www.scm.com SCM scientists are passionate to make computational chemistry work for you. Advance your research with the ADF Modeling Suite. Come discuss modeling challenges and see the excellent GUI in action!

Sorbent Technologies.................................................1715 www.sorbtech.com Chromatography products. Silica gel, bonded silicas, aluminas, polymeric resins, gel filtration, SEC, TLC plates, flash cartridges and systems, syringe filters, SPE cartridges, HPLC, GC and FPLC columns.

Spectradyne LLC......................................................... 930 www.nanoparticleanalyzer.com Spectradyne has developed a high-resolution nanoparticle analyzer based on Microfluidic Resistive Pulse Sensing (MRPS), which overcomes the limitations found with light scattering-based methods.

SpectroLogix............................................................ 1430 www.bio-logic.us SpectroLogix uses many years of expertise in rapid mixing, kinetic and photosynthesis spectroscopy as a member of the Biologic family to focus on growth of our market leading line of RK products.

Spectrum Chemical Mfg Corp.....................................1810 www.spectrumchemical.com Spectrum manufactures and distributes over 45,000 fine chemicals and laboratory reagents in research and production quantities, including more than 1200 USP/NF/ FCC chemicals.

Springer Nature......................................................... 615 www.springernature.com Springer Nature is one of the world’s leading global research, educational and professional publishers, home of respected and trusted brands providing quality content

StellarNet Inc...........................................................1716 www.stellarnet.us StellarNet provides compact spectrometer systems for product analysis, research, education, and OEM. StellarNet instrumentation is rugged for any environment and covers a universe of applications.

STP America Research.............................................. 2424 www.stpharm.co.kr STP America Research is a process research and development service provider focusing on small scale crystallization with newly invented magnetic mechanical stirrer for vials. Mini-reactor, Crystal16.

Star

Strem Chemicals.......................................................2512 www.strem.com Strem Chemicals,Inc. manufactures and markets high-purity, specialty chemicals. Key products: catalysts, ligands, organometallics, CVD/ALD precursors and nanomaterials. ISO 9001 certified.

Surface Measurement Systems.................................... 921 www.surfacemeasurementsystems.com

Suven Life Sciences Limited...................................... 2327 www.suven.com

Synquest Laboratories, Inc.........................................1710 www.synquestlabs.com

TA Instruments.......................................................... 810 www.tainstruments.com

Taylor & Francis/CRC Press....................................... 2309 www.tandfonline.com Taylor & Francis/CRC Press partners with world-class authors. We’re one of the world’s leading publishers of academic chemistry journals, books, eBooks, text books and reference works.

TCI America............................................................. 2408 www.tcichemicals.com With over 28,000 chemical reagents, TCI is a leading global manufacturer and supplier of specialty chemicals to the pharmaceutical, electronic, cosmetic, chemical, environmental and biotech industries.

TechnipFMC................................................................ 613 www.technipfmc.com Star Providing expertise in the scale-up, commercialization, marketing, and licensing of first-of-a-kind Process Technologies.

As of 7/20/2018

Vantage Resourcing Solutions, LLC.............................1132

Workrite Uniform Company....................................... 1425

www.isco.com Teledyne ISCO manufactures Flash and HPLC systems. Our product line includes instruments and accessories for the purification of organic compounds in normal-phase and reversed-phase separations.

www.vrs-us.com Star VRS Recruitment is an established staffing firm that places scientists, analysts, engineers, sales/marketing specialists, and lab managers with a multitude of laboratories and instrument vendors.

www.workritefrcp.com Workrite Uniform Company, a manufacturer of flameresistant FR and chemical splash protective CP clothing has the latest innovative FR/CP Lab Coat. Stop by booth #1425 and check out our new products.

Temple University School of Pharmacy....................... 2421

Vapourtec Ltd............................................................. 916

Wyatt Technology Corp................................................ 908

www.pharmacy.temple.edu Temple University School of Pharmacy is actively recruiting students interested in careers in pharmacy or PhDs in drug discovery sciences (medicinal chemistry, pharmacology, pharmaco*kinetics, etc.).

www.vapourtec.com Vapourtec Ltd is an innovative laboratory technology company based near Cambridge, UK. Vapourtec develops, manufactures and markets cutting-edge flow chemistry systems.

www.wyatt.com Wyatt Technology is the recognized leader in instrumentation for determining the absolute molar mass, size, charge and interactions of macromolecules and nanoparticles in solution.

TERA-print LLC......................................................... 1429

VELP SCIENTIFIC INC................................................. 2330

X-Ability Co., Ltd....................................................... 1032

www.tera-print.com TERA-print has developed a suite of nanofabrication tools that allow researchers to rapidly prototype nanoscaled patterns and devices with unmatched scalability, materials generality, and resolution.

www.velp.com

www.x-ability.com

ThalesNano Nanotechnology Inc..................................1615 www.thalesnano.com We are the world leader in bench-top flow chemistry reactors with widest portfolio of continuous process instruments for the pharma, biotech, fine chemical, petroleum/biofuel, and education markets.

The Chemical Society of Japan....................................1513 www.chemistry.or.jp/en We publish the journal ‘Chemistry Letters’ and ‘Bulletin of the Chemical Society of Japan’. Please visit our website www. journal.csj.jp/ and drop in at CSJ booth!!

Vernier Software & Technology...................................1218 www.vernier.com Vernier Software & Technology is the leading worldwide innovator of real-time data-collection, graphing, and analysis tools for science education.

Vigor Tech USA, LLC...................................................1110 www.vigor-glovebox.com Vigor is a world class glovebox and purification system company, specializing in creative technologies and custom research solutions. A Vigor glovebox is the best choice you can make for your research!

ViridisChem, Inc......................................................... 909 www.viridischem.com

VSPARTICLE B.V........................................................ 2432

The Electrochemical Society........................................ 718

www.vsparticle.com

www.electrochem.org Leading the world in electrochemistry and solid state science and technology since 1902, ECS is an international professional society with over 8,000 members from more than 75 countries.

SMALL CHEMICAL BUSINESS & NON PROFIT

Thermo Fisher Scientific............................................2312 www.thermoscientific.com Integrated laboratory workflow solutions including specialty chemicals, metals and materials, sample preparation, chromatography, mass spectrometry, elemental analysis and molecular spectroscopy.

Thinky USA Inc........................................................... 821 www.thinky-usa.com Thinky is a leading manufacturer of Bubble-Free Planetary Centrifugal Mixers, which mix, disperse, and degas materials (0.5 g to 20 kg) in minutes with or without the use of vacuum.

University Science Books.......................................... 2409 www.uscibooks.com University Science Books publishes a great array of landmark titles in chemistry. Come visit us to peruse our newest releases, including “Foundations of Inorganic Chemistry” by Gary Wulfsberg.

US EPA Toxics Release Inventory Program.................. 1928 www.epa.gov/tri

Vacuubrand, Inc........................................................1018 www.vacuubrand.com VACUUBRAND offers exceptionally quiet, corrosion-resistant, oil-free vacuum pumps with ultra-long service intervals for labs, scale-up and OEM use.

Vacuum Atmospheres Co............................................. 918 www.vac-atm.com VAC has set the standard for gloveboxes and gas purification for over 50 years and continues to do so with our revolutionary design. No regeneration required by the user.

Vacuum Technology Inc............................................... 513 www.vti-glovebox.com Vacuum Technology Inc. manufactures best in class gloveboxes designed for application from R&D to Full Production. Our modular, customizable designs give you the best glovebox at the best value.

SMALL CHEMICAL BUSINESS & NON PROFIT

We are offering a molecular modeling software Winmostar and related add-ons to help chemists to produce many products.

Yamazen Science, Inc................................................ 1225 www.yamazenscience.com Yamazen, Japan’s #1 auto flash systems and hi-res columns. US patented SW gearing toward green chemistry: Fast (4CV), predictable run and low solvent use. ELSD, MS, TLC options.

Zaiput Flow Technologies............................................ 715 www.zaiput.com Zaiput brings to market unique liquid-liquid and gas-liquid technology design for chemistry applications. We offer a scalable solution suitable for both flow and batch chemistry applications.

VUV Analytics, Inc....................................................... 510 www.vuvanalytics.com VUV Analytics manufactures universal vacuum ultraviolet (VUV) spectroscopic detectors that provide a new dimension of chemical analysis accuracy.

W.W. Norton............................................................... 910 www.wwnorton.com

Waters Corp............................................................... 808 www.waters.com Waters Corp., the world’s leading specialty measurement company, has pioneered chromatography, mass spec and thermal analysis innovations serving the life, materials and food sciences for 60 years.

Wavefunction, Inc......................................................1812 www.wavefun.com Wavefunction produces Spartan and Odyssey software, cutting edge molecular modeling applications for use in research and education. Spartan’18 Parallel Suite is launching this summer!

Welch by Gardner Denver............................................ 827 www.welchvacuum.com Applied vacuum technology experts. From rotovaps, concentrators, schlenk lines, freeze dryers, filtration, to vacuum drying, Welch can help you apply the right vacuum solution.

Wiley....................................................................... 2212 www.wiley.com Wiley’s product diversity spans books, journals, databases, web-portals and workflow tools. Visit us to learn what’s new at Wiley, browse our books, and receive 30% off orders and FREE worldwide shipping!

Wilmad-LabGlass........................................................ 716 www.wilmad-labglass.com Wilmad-LabGlass brand laboratory glassware offers NMR and EPR consumables, specialty glassware, as well as custom fabrication for individual glassware, glass repair services and OEM glass parts.

Wilmington PharmaTech.............................................. 519 www.wilmingtonpharmatech.com

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51

EXHIBITOR LIST

Teledyne Isco — Chromatography................................1412

TECHNICAL PROGRAM SUMMARY

Technical Program Summary

PRES

Presidential Events

P. Dorhout, Program Chair Boston Convention & Exhibition Center/ Sheraton Boston Hotel

Moving the Safety Values of the ACS Forward **

S D

Growing with Project SEED: 50 years and 10,000+ Students **

A

Ion Transport at the Nanoscale: Research & Capabilities at the DOE’s Nano Centers ** NNB

D

Importance of LGBTQ+ Role Models & Mentors in Chemical Sciences: A Symposium in Honor of Barbara Belmont *(PROF)

P

Nanoscience, Nanotechnology & Beyond Opening Session *(MPPG)

P

Chemistry as a Second Language: Strategies for Global Scientific Communication *(YCC)

M Tu W Th

P. Weiss, Program Chair Boston Convention & Exhibition Center

S

M Tu W Th

Nanoscience & Nanotechnology in Neuroscience & the BRAIN Initiative

A

ACS Nano Lectureship Award NNB

A

Nano in Tissue Engineering

A

Nanophotonics NNB

D D

Patterson-Crane Award Symposium

P

The Role of the Chemical Sciences in Brain Research & the BRAIN Initiative **

P

Nanotechnology & Single Cell Analysis in Biology & Medicine: Next Frontier *(ANYL)

D D D

Recent Developments in the Protection of Nanotechnology-Related Intellectual Property *(CHAL)

MCPD & Glycidyl Fatty Acid Esters

The Role of the Chemical Sciences in Brain Research & the BRAIN Initiative *(MPPG)

P

Multidisciplinary Program Planning Group

MP P G P. Weiss, Program Chair

S

Synthesis & Characterization of Nanomaterials for Sustainable Energy **

D D

M Tu W Th

NNB

AG FD X. Fan, Program Chair

Boston Convention & Exhibition Center

D

Boston Convention & Exhibition Center

A

Division of Agricultural & Food Chemistry

A

Synthetic Biology: The State of the Science *(ENVR)

MPPG

New Advances in 3D Nanoprinting NNB

P

Artificial Intelligence & its Impact on the Chemical Enterprise *(YCC)

Multidisciplinary Program Planning Group (continued)

S D

M Tu W Th

Bioactives & Neurodegenerative Diseases **

D

Functional Foods **

D

Health-Promoting Food Ingredients

D

Chemistry, Flavor & Health Effects of Teas **

E

Value-Added Derivatives from Agro-Based Raw Materials **

E

D A

Diet, Health & Gut Microbiome **

E

D

E

D D A

Nanoscience, Nanotechnology & Beyond Opening Session ** NNB

P

General Posters

Nanostructured Materials for Energy Harvesting & Storage

P

Applied Nanotechnology for Food & Agriculture **

A

Structure & Assembly of Food Biopolymers **

D A

Bioactives & Skin Health **

D

Get Published: Panel Discussion with JAFC Editors **

P

Sci-Mix

E

Spotlight on Nanoscience, Nanotechnology & Beyond in the Journal of the American Chemical Society NNB

A

2018 C&EN Talented 12

A

Future of Nanoscience, Nanotechnology & Beyond NNB

P

The Fred Kavli Innovations in Chemistry Lecture The Kavli Foundation Emerging Leader in Chemistry Lecture

52

Young Scientist/JAFC Best Paper Awards **

A

E

Sterling Hendricks Memorial Lectureship **

A

E

Taste & Aroma Modulators: Chemistry, Biology & Sensory

D D

General Papers

P

A

Division of Agricultural & Food Chemistry (continued)

AGFD X. Fan, Program Chair

Boston Convention & Exhibition Center

Food Bioactives, Nanotechnology & Other Delivery Systems ** NNB AGFD Award Symposium in Honor of Dr. Sevim Erhan **

S

M Tu W Th

AG FD X. Fan, Program Chair

Boston Convention & Exhibition Center

S

M Tu W Th

P

Legal Aspects of Agriculture, Agrochemicals & Agribusiness *(AGRO)

A

P

RNAi & Gene Editing: Utilization for Enhanced Crop Production *(AGRO)

A

Food Proteins: Structure, Functionality, Bioactivity & Safety

A

AG RO

Division of Agrochemicals

J. Eble, Program Chair

Chemistry & Health Benefits of Natural Foods & Beverages

P

Advances in Methods & Protocols for Food Pathogen & Toxin Detection

A

P A

CRISPR ** Around the World with Pesticide Maximum Residue Levels *(AGRO)

D

Assessing Risk, Providing Benefit: Making Informed Decisions in Endangered Species Pesticide Risk Management *(AGRO)

D

P P

Cannabis Nanotechnology, Genetics & Innovative Trends in Cannabis Production *(CHAS)

A

Fate & Metabolism of Xenobiotics: In Vitro & In Silico Studies *(AGRO)

A

Role of P450s in Broad-Spectrum Multiple Herbicide Resistance in Weeds: Symposium Honoring Stephen Powles *(AGRO)

D

Uses of Mass Spectrometry in Agricultural Research & Development : New Trends & Best Practices *(AGRO)

P

Undergraduate Research Posters *(CHED)

P

D

P

P

Boston Convention & Exhibition Center

S

How Can Advances in Chemistry Improve Human Health Exposure Assessment? **

M Tu W Th

A

Around the World with Pesticide Maximum Residue Levels **

D

P

Assessing Risk, Providing Benefit: Making Informed Decisions in Endangered Species Pesticide Risk Management **

D

P

INSecticide TARgets (INSTAR) Summit

D

P

Environmental Fate, Transport & Modeling of Agriculturally Related Chemicals

D

P

Innovations in Chemistry Supporting Strategic Human Health Risk Assessments **

P

Pesticide Spray Drift: Application, Evaluation & Mitigation **

A

Fate & Metabolism of Xenobiotics: In Vitro & In Silico Studies **

A

Reducing Uncertainty in Modeling the Environmental & Human Health Exposure to Agrochemicals **

A

Agricultural Based Natural Products as Biorational Pesticides *(AGRO)

D D

D

Synthesis & Chemistry of Agrochemicals: ACS Industrial Chemistry Award Symposium in Honor of George P. Lahm *(AGRO)

Role of P450s in Broad-Spectrum Multiple Herbicide Resistance in Weeds: Symposium Honoring Stephen Powles **

D D

Process Research & Development in Crop Protection

D

Joint Reviews for New Pesticides: Success Stories, Challenges & Future Prospects *(AGRO)

P

D

Vector-Borne Diseases: Role of Chemistry in Managing Risks to Humans, Domestic Animals, Aquaculture & Wildlife

Chiral Agrochemicals: Analytical Advances & Regulatory Trends *(AGRO)

P

Uses of Mass Spectrometry in Agricultural Research & Development : New Trends & Best Practices **

P

P

Analytical Topics for Ag Process Chemistry & Formulations Research *(AGRO)

A

P

New Analytical Technologies for Pesticide Analysis *(AGRO)

Environmental Study Design: Current & Emerging Guidelines to Fulfill Regulatory Needs **

P

Sci-Mix

E

Pesticides & Chemophobia in the News: What You Need to Know as a Scientist & Consumer *(AGRO)

P

Surfactant & Colloid Science as Applied to Agrochemical Formulations *(AGRO)

P

AGRO-SETAC Joint Symposium: Challenges of Utilizing Higher-Tier Ecotoxicity Data in Risk Assessment & Risk Management of Pesticides *(AGRO)

A

P

P

A

P

P

*Co-sponsored symposium with primary organizer shown in parenthesis; located with primary organizer. **Primary organizer of a cosponsored symposium. CIGE: Chemistry’s Impact on the Global Economy A = AM  AE = AM/EVE  D = AM/PM  DE = AM/PM/EVE  E = EVE P = PM  PE = PM/EVE NNB = Nanoscience, Nanotechnology & Beyond

53

TECHNICAL PROGRAM SUMMARY

Division of Agricultural & Food Chemistry (continued)

TECHNICAL PROGRAM SUMMARY

Division of Agrochemicals (continued)

Division of Agrochemicals (continued)

AGR O

AG RO

J. Eble, Program Chair Boston Convention & Exhibition Center

S

M Tu W Th

Non-Extractable Residue (NER) BioAccessibility & Potential Risks **

A

Agricultural-Based Natural Products as Biorational Pesticides **

D D

P

J. Eble, Program Chair Boston Convention & Exhibition Center

S

Waste to Product: Biological & Physicochemical Resource Recovery & Efficiency *(ENVR)

M Tu W Th

D A

E

D

P

E

Synthesis & Chemistry of Agrochemicals: ACS Industrial Chemistry Award Symposium in Honor of George P. Lahm **

D D

Assessing Risk, Providing Benefit: Making Informed Decisions in Endangered Species Pesticide Risk Management *(AGRO)

Joint Reviews for New Pesticides: Success Stories, Challenges & Future Prospects **

D

Water Reuse & Recycling: Innovative Solutions for Treatment & Implementation *(ENVR)

D

Chiral Agrochemicals: Analytical Advances & Regulatory Trends **

P

Functional Foods *(AGFD)

D

Analytical Methods & Study Designs in Pollinator Studies

P

Chemistry of Struvite & Slow-Release Fertilizers: From Fundamentals of Crystal Growth to Engineered Nutrient Recovery & Their Release *(ENVR)

P

E

P

Analytical Topics for Ag Process Chemistry & Formulations Research **

A

E

D D A

AGRO-SETAC Joint Symposium: Role of Monitoring Data in Advancing Regulatory Risk Assessment **

Chemistry, Flavor & Health Effects of Teas *(AGFD)

A

Diet, Health & Gut Microbiome *(AGFD)

E

D

Atmospheric Fate & Transport of Volatilized Agricultural Emissions **

D

Protection of Sustainable Agricultural Productivity, Public Health & the Environment: General Session

P

Environmental Study Design: Current & Emerging Guidelines **

P

Good Laboratory Practices for the Agrochemical Professional

P

New Analytical Technologies for Pesticide Analysis **

P

Pesticides & Chemophobia in the News: What You Need to Know as a Scientist & Consumer **

P

Role of Monitoring Data in Advancing Regulatory Risk Assessment **

P

Strategies for Radiolabeling Agrochemicals in Regulatory Studies & Advanced Techniques for Characterization **

P

Surfactant & Colloid Science as Applied to Agrochemical Formulations ** NNB

P

Designing Better Studies: Issues & Improvements in Pollinator Studies

P

AGRO-SETAC Joint Symposium: Challenges of Utilizing Higher-Tier Ecotoxicity Data in Risk Assessment & Risk Management of Pesticides **

A

Contract Research, Good Laboratory Practices & Other Challenges for the Agrochemical Professional

A

Legal Aspects of Agriculture, Agrochemicals & Agribusiness **

A

RNAi & Gene Editing: Utilization for Enhanced Crop Production **

A

54

Applied Nanotechnology for Food & Agriculture *(AGFD)

A

Environmental Health & Safety of Emerging Chemicals & Technologies *(ENVR)

D

Get Published: Panel Discussion with JAFC Editors *(AGFD)

P

E

Sterling Hendricks Memorial Lectureship *(AGFD)

A

Novel Treatment Approaches for Emerging Contaminants in Groundwater Systems *(ENVR)

D

Food Bioactives, Nanotechnology & Other Delivery Systems *(AGFD)

P

AGFD Award Symposium in Honor of Dr. Sevim Erhan *(AGFD)

P

E

Drug Discovery: Cheminformatic Approaches *(CINF)

P

Advances in Quality Assurance & Regulatory Affairs: Impact on the Future of the Food & Drug & Agrochemical Industry *(BMGT)

P

Environmental Obesogens: Exposure Pathways, Mechanism of Action & Trends *(ENVR)

PE

A

ANY L

Division of Analytical Chemistry

L. Baker, M. Bush, Program Chairs Boston Convention & Exhibition Center

S

M Tu W Th

Analytical Technology & Application Innovations in Pharma

A

Technical Developments & Applications of Optical Chemical Imaging ** NNB

D D A

Nanotechnology & Single Cell Analysis in Biology & Medicine: Next Frontier ** NNB

D D

Division of Analytical Chemistry (continued)

ANYL

L. Baker, M. Bush, Program Chairs Boston Convention & Exhibition Center

S

Nanoelectroanalytical Chemistry for Biological & Material Sciences NNB

D

Paper Devices for Bioanalysis

D

Student-Organized Symposia: Supramolecular Analytical Chemistry **

D

M Tu W Th

ANY L

L. Baker, M. Bush, Program Chairs Boston Convention & Exhibition Center

S

Advances in Spectroscopy NNB

NNB

M Tu W Th D

Student-Organized Symposia: Enabling Spectroscopies for Nanomaterial Applications: Energy Conversion to Therapeutics ** NNB

D

New Synthetic Tools & Analytical Methods for the Near-IR **

D P

Student-Organized Symposia: Preparative Mass Spectrometry: Recent Advances & Applications **

P

Methodologies for Use in Cleaning Validations

Analytical Division Poster Session NNB

E

Advances in Sensors & Biosensors for Environmental Monitoring *(ENVR)

D A

E

Environmental Behaviors & Health Effects of Pollutants: A Symposium in Honor of Prof. Guibin Jiang *(ENVR)

D D

E

Wearable & Implantable Sensors

D D A

Analysis of Materials for Energy Storage ** NNB

D

Chemical Forensics

D

Environmental Nanometrology *(ENVR)

D

Nanozymes for Bioanalysis NNB

D

Structures & Functions of Glycans *(CARB)

P

Sci-Mix

E

P

D

Recent Advances in Solid Phase Extraction: Symposium in Honor of Patrick D. McDonald

A

SETAC-ENVR Joint Symposium: Legacy & Emerging Organic Contaminants in the Great Lakes, Seas & Oceans *(ENVR)

Nucleic Acid-Based Sensors NNB

D A

Pesticide Spray Drift: Application, Evaluation & Mitigation *(AGRO)

A

Light-Nanomaterial Interactions for Ultrasensitive Electrochemical Sensing & Imaging & Materials Chemistry NNB

D

Fate & Metabolism of Xenobiotics: In Vitro & In Silico Studies *(AGRO)

A

D

Role of P450s in Broad-Spectrum Multiple Herbicide Resistance in Weeds: Symposium Honoring Stephen Powles *(AGRO)

D

P

Environmental Health & Safety of Emerging Chemicals & Technologies *(ENVR)

D

E

Uses of Mass Spectrometry in Agricultural Research & Development : New Trends & Best Practices *(AGRO)

P

P

Microplastic Pollution: Sources, Sinks & Solutions *(ENVR)

P

Undergraduate Research Posters *(CHED)

P

Structure & Function of 2D Materials ** NNB

Frontiers of Bioanalytical Raman Imaging & Spectroscopy

P

Analytical Division Awards

P

A

Solid-Phase Chemoenzymatic Methods for Analysis of Sialylated Glycans & their Intact Glycopeptides **

A

Student-Organized Symposia: New Paradigms in Nanoscale Electrocatalysis ** NNB

A

Molecular Interactions of Synthetic Nanoparticles with Membranes ** NNB

D

Advances in Electrochemistry

P

Joint Symposium of the Separation Science Subdivisions

P

Next-Generation Instrumentations & Measurement in Space Exploration **

P

Student-Organized Symposia: New Mass Spectrometry Methods for Polymer Analysis ** NNB

P

Student-Organized Symposia: Probing Biological Systems with Nonlinear Optics **

P

A

Opportunities in Forensic Proteomics: Applications, Bioinformatics, Admissibility, Quality Standards

A

Advances in Mass Spectrometry

D

P

Non-Extractable Residue (NER) BioAccessibility & Potential Risks *(AGRO)

A

P

Novel Treatment Approaches for Emerging Contaminants in Groundwater Systems *(ENVR)

D

E

DARPA Make-It Program: Automating Small Molecule Route Design, Optimization & Synthesis *(COMSCI)

D

Chiral Agrochemicals: Analytical Advances & Regulatory Trends *(AGRO)

P

P

*Co-sponsored symposium with primary organizer shown in parenthesis; located with primary organizer. **Primary organizer of a cosponsored symposium. CIGE: Chemistry’s Impact on the Global Economy A = AM  AE = AM/EVE  D = AM/PM  DE = AM/PM/EVE  E = EVE P = PM  PE = PM/EVE NNB = Nanoscience, Nanotechnology & Beyond

55

TECHNICAL PROGRAM SUMMARY

Division of Analytical Chemistry (continued)

TECHNICAL PROGRAM SUMMARY

Division of Analytical Chemistry (continued)

Division of Biological Chemistry (continued)

ANYL

L. Baker, M. Bush, Program Chairs Boston Convention & Exhibition Center

S

M Tu W Th

B IO L

S. Kelley, P. Bevilacqua, Program Chairs Boston Convention & Exhibition Center

S A

M Tu W Th

Analytical Topics for Ag Process Chemistry & Formulations Research *(AGRO)

A

Chemistry in Space: Past, Present & Future *(YCC)

A

Use of Computer Simulation to Teach Chemical Kinetics & Enzyme Kinetics in Undergraduate Research & Education *(CHED)

Atmospheric Fate & Transport of Volatilized Agricultural Emissions *(AGRO)

D

Advances in Sensors & Biosensors for Environmental Monitoring *(ENVR)

D A

From Lab to Tap: Implications of Scaling Up Nano-Enabled Environmental Technologies *(ENVR)

D

Nanotechnology & Single Cell Analysis in Biology & Medicine: Next Frontier *(ANYL)

D D

Peter Derrick Memorial Symposium: Nanomaterials & Safe Evaluation *(ENFL)

P

New Analytical Technologies for Pesticide Analysis *(AGRO)

P

Wastewater-Based Epidemiology: Opportunities & Challenges *(ENVR)

PE A

RNAi & Gene Editing: Utilization for Enhanced Crop Production *(AGRO)

A

A

B I OT

Division of Biochemical Technology

N. Tugcu, M. Antoniewicz, Program Chairs Located with Primary Sponsor

Undergraduate Research Posters *(CHED)

S M P

Tu

W Th

BIOL

Division of Biological Chemistry S

Early Career Investigators in Biological Chemistry

A

Repligen Award for the Chemistry of Biological Processes

A

Debunking Myths of the Undruggable & Indistinguishable

P

Chemical Approaches to Interrogate Cell Biology

P

Gordon Hammes Award Lecture

P

Current Topics

E

M Tu W Th

P

Precision Genome Engineering

P

Sci-Mix

E

D

Chemical Immunomodulation

A

Pfizer Award in Enzyme Chemistry

A

ACS Infectious Diseases Young Investigators Award Symposium

P

Frontiers in Organofluorine Research for Biological Chemistry & Drug Discovery

56

D

Environmental Biofilm Engineering: Harnessing the Power of Biofilms for Contaminant Removal & Resource Recovery *(ENVR)

P

Tetrahedron Prize *(ORGN)

P

Undergraduate Research Posters *(CHED)

P

Projects of NCI Chemical Biology Consortium: A Unique, Collaborative Approach to Cancer Drug Discovery *(MEDI)

A

E

A

Physicochemical & Biological Phenomena on Sorbent Surfaces in Environmental Applications *(ENVR)

DE A A

Division of Business Development & Management

B MGT

Aloft Boston Seaport

S

Chemical Angel Network: Chemists Investing in Chemical Companies **

P

M Tu W Th

Advances in Quality Assurance & Regulatory Affairs: Impact on the Future of the Food & Drug & Agrochemical Industry **

E A

D

A. DeMasi, Program Chair

A

Graduate Student & Postdoctoral Fellow Symposium

Mid-Career Investigators in Biological Chemistry

E

A

Eli Lilly Award in Biological Chemistry

Synthetic Chemical Biology

P

Diet, Health & Gut Microbiome *(AGFD)

CRISPR *(AGFD)

S. Kelley, P. Bevilacqua, Program Chairs Boston Convention & Exhibition Center

Structures & Functions of Glycans *(CARB)

E

P

Artificial Intelligence & its Impact on the Chemical Enterprise *(YCC)

A

Francis P. Garvan–John M. Olin Medal Symposium in Honor of Valerie Kuck *(WCC)

P

Financial & Business Formation Strategies for Start-Ups & Chemical-Related Businesses *(SCHB)

A

Division of Carbohydrate Chemistry

CARB S. Sucheck, Program Chair

P D P

Aloft Boston Seaport

S

Excellence in Undergraduate Research in Glycoscience **

A

Structures & Functions of Glycans **

P

General Posters **

E

Sci-Mix

M Tu W Th

D E

Division of Catalysis Science & Technology (continued)

C ARB

F. Tao, K. Ramasamy, Program Chairs

S. Sucheck, Program Chair

S

Aloft Boston Seaport

M Tu W Th

CAT L S

Renaissance Boston Waterfront Hotel

M Tu W Th

Glycoprotein & Carbohydrate-Based Drugs for Human Health **

D A

Water (The Greenest Solvent): Catalysis in Aqueous & Bi-Phase Systems

Enzymes in Glycoscience **

D

Hybrid Biological & Chemocatalytic Processes for Biomass Upgrading

D

Operando Spectroscopy for Catalysis

P

New Directions in Carbohydrate Synthesis **

D

Synergistic Approaches to Lignocellulosic Biomass Research *(CELL)

D

Diet, Health & Gut Microbiome *(AGFD)

E

Catalysis for Environmental & Energy Applications *(ENVR)

D

Rational Design of Multifunctional Renewable-Resourced Materials *(CELL)

D D

Tetrahedron Prize *(ORGN)

P

Solid-Phase Chemoenzymatic Methods for Analysis of Sialylated Glycans & their Intact Glycopeptides *(ANYL)

A

Functional Materials from Biopolymer SelfAssembly & Self-Organization *(CELL)

D A

Division of Catalysis Science & Technology

F. Tao, K. Ramasamy, Program Chairs

S

M Tu W Th

Catalytic Insights from In Situ/Operando X-Ray & Neutron Techniques

D A

P

D D

Thermochemical & Biochemical Conversions of Biomass to Biofuels & Biomaterials for Energy & Environmental Applications *(ENVR)

P

D

W. Thielemans, Program Chair Aloft Boston Seaport

S

Synergistic Approaches to Lignocellulosic Biomass Research **

D

General Posters

E D

Sci-Mix

E

D A

Meeting the Challenges of Heterogeneous Catalysis Controlled at Atomic Level

D D D A

Catalysis for Environmental & Energy Applications *(ENVR)

A

Catalysis for Transformation of Carbon Dioxide or Nitrogen to Chemical & Fuel Feedstock

D D

Excellence in Undergraduate Research in Glycoscience *(CARB)

A

Application of Electron Microscopy to Catalysis Studies

Structures & Functions of Glycans *(CARB)

P

D

Diet, Health & Gut Microbiome *(AGFD)

Understanding Catalytic Sites on Amorphous & Disordered Materials

D

E E

General Posters *(CARB) Thermochemical & Biochemical Conversions of Biomass to Biofuels & Biomaterials for Energy & Environmental Applications *(ENVR)

2018 ACS Catalysis Lectureship for the Advancement of Catalytic Science: Symposium in Honor of Nicholas Turner

D

Heterogeneous Catalyst Development for Biomass Upgrading

P

General Catalysis

P DE

Sci-Mix

E

D D

Catalytic Activation & Chemical Transformation of Light Alkanes

A

Fundamental Understanding of Catalysis at Interface through Computational Approach

D D A

New Vistas in Heterogeneous Catalysis: Symposium in Honor of Robert Grasselli

D

Advanced Catalytic Materials with WellDefined Nanostructures for Energy & Fuel Sustainability

P

D D

M Tu W Th

Rational Design of Multifunctional Renewable-Resourced Materials ** NNB Functional Materials from Biopolymer SelfAssembly & Self-Organization ** NNB

D

E

CE LL

Role of Water & Solvent in Heterogeneous Catalysis

Application of Ambient Pressure XPS to Catalysis Studies

A

AE

Novel Catalytic Materials *(ENFL)

Division of Cellulose & Renewable Materials

C AT L

Renaissance Boston Waterfront Hotel

A

D A

D D A AE

D D

D

E

Glycoprotein & Carbohydrate-Based Drugs for Human Health *(CARB)

D

A

Enzymes in Glycoscience *(CARB)

D

New Directions in Carbohydrate Synthesis *(CARB)

P

D

*Co-sponsored symposium with primary organizer shown in parenthesis; located with primary organizer. **Primary organizer of a cosponsored symposium. CIGE: Chemistry’s Impact on the Global Economy A = AM  AE = AM/EVE  D = AM/PM  DE = AM/PM/EVE  E = EVE P = PM  PE = PM/EVE NNB = Nanoscience, Nanotechnology & Beyond

57

TECHNICAL PROGRAM SUMMARY

Division of Carbohydrate Chemistry (continued)

TECHNICAL PROGRAM SUMMARY

C H ED

Division of Chemical Education

CH AS

Division of Chemical Health & Safety

A. Marsh, D. Bromfield-Lee, P. Daubenmire, Program Chairs Seaport World Trade Center

S

M Tu W Th

D. Decker, J. Pickel, Program Chairs Seaport Boston Hotel

S P

M Tu W Th

Use of Computer Simulation to Teach Chemical Kinetics & Enzyme Kinetics in Undergraduate Research & Education **

A

Ask Dr. Safety: Safety Considerations in the Cannabis Industry **

Chemistry Teachers Day Program **

D

Informal STEM Education: Innovation & Collaboration ** NNB

D

Cannabis Nanotechnology, Genetics & Innovative Trends in Cannabis Production ** NNB

A

CHAS Awards Symposium **

P

Nanomaterials: Applications, Safety Considerations, & Implications for Human Health & the Environment ** NNB

P E

Undergraduate Research Papers ** General Posters

P E

General Papers

A

A

Science Diplomacy & Chemistry Education **

D

Sci-Mix

Approaches in Using Food & Cooking to Engage Diverse Audiences in Science

D

Learning Laboratory Safety through Storytelling **

From Nano to Macro: How to Let Students Discover the Applications of Materials NNB

P

Moving the Safety Values of the ACS Forward *(PRES)

D

Undergraduate Research Posters ** NNB

P

P

Successful Student Chapters **

E

Innovations in Chemistry Supporting Strategic Human Health Risk Assessments *(AGRO)

Sci-Mix

E

Citizens First! Using Real-World Contexts for Engaging Students in Learning Chemistry **

D

GSSPC: Frontiers in Computational Chemistry: Bridging the Gap Between Theory & Experiment **

D

Celebrating the Success of an Exchange Program for German & American Chemistry Students **

P

A

A

D

Reducing Uncertainty in Modeling the Environmental & Human Health Exposure to Agrochemicals *(AGRO)

A

Pesticides & Chemophobia in the News: What You Need to Know as a Scientist & Consumer *(AGRO)

P CINF

Division of Chemical Information

R. Bienstock, Program Chair Westin Boston Waterfront

S

Facilitating Student Success in General Chemistry I Laboratory

A

Chemical Structure Searching for Patent Information **

D

Green Chemistry Theory & Practice: Nanoscience, Nanotechnology & Beyond ** NNB

D

Chemoinformatic Approaches to Enhance Drug Discovery Based on Natural Products

D

Alternate Assessment Methods

P

Reporting & Reproducibility of Chemistry Research Data **

D

Research in Chemistry Education

P

CINF Poster Session

E

Women of Color in the Academy: Empirical Studies & Models of Success *(PROF)

A

A

Publishing Chemical Data **

D P E

A

How to Get Your 1st Industrial Job *(PROF)

A

Where are the Standards: Biologics Registration & HELM

TRiO & Chemistry *(PROF)

P

Sci-Mix

D

Chemistry Librarians of the Future *(CINF)

D

Henkel Award for Outstanding Graduate Research in Polymer Chemistry: Symposium in Honor of Aleksandr V. Zhukhovitskiy *(PMSE)

58

A

M Tu W Th

Ethics of Data Sharing **

Citizen Science & Chemistry *(ENVR)

Broadening Participation in STEM: Empirical Studies & Models of Success *(PROF)

D

Chemistry Librarians of the Future **

D

Skolnik Symposium: De Novo Design

D

Machine Learning Scoring Functions

A

Move Away from the Lamppost & Find Druggable Targets

A

Semantics in Chemistry Vocabulary & Terminology

A

Drug Discovery: Cheminformatic Approaches

P

A

Reaction Analytics

P

A

C I NF

Division of Colloid & Surface Chemistrys

R. Nagarajan, Program Chair

R. Bienstock, Program Chair

S

Westin Boston Waterfront

M Tu W Th

The More the Merrier: Combine Drugs Together

P TOX I

Division of Chemical Toxicology

T. Spratt, Program Chair

Translesion DNA Polymerases NNB

S A

Founders’ Award **

P

Westin Boston Waterfront

M Tu W Th

A

Student/Post-Doc Chemical Toxicology of Nanomaterials

P

Sci-Mix

E

CO LL

Boston Convention & Exhibition Center

S

M Tu W Th

Basic Research in Colloids, Surfactants & Nanomaterials NNB

A

P

Particle Sizing of Nanoparticles: From Regulatory & Metrology Aspects to Application & Analysis NNB

A

Heating with Colloidal Nanoparticles: Physical Mechanisms & Applications in Life Science NNB

D A

Colloidal & Interfacial Science in Separation Processes NNB

D D

Understanding Nano-Bio Interactions: Implications for Bio-Imaging, Diagnosis & Treatment NNB

D D

D

A D A

Mechanisms of Binding, Transport & Biotransformation of Toxic Metals **

A

Chemical Research in Toxicology Young Investigator Award

P

Advances in Colloid & Surface Chemistry Enabled by Cryogenic & In Situ Liquid-Cell Electron Microscopy NNB

Keynote Lectures

P

Nanomaterials NNB

DE D A D A

Posters

E

Nanomedicines: From Fundamentals to Applications NNB

DE D A D A

A

Surface Chemistry NNB

DE

P

Frontiers & Challenges in NanoparticleMediated Chemical Transformations NNB

P

D A D A

Synthetic Self-Assembled Systems for Drug & Nucleic Acid Delivery: New Materials, Formulation Strategies, Targeting, Toxicity & Regulatory Issues NNB

P

D A D A

Biomaterials & Biointerfaces NNB

E

D A D

Colloid & Surface Chemistry in Industry: Applications & Career Opportunities **

E

D

Fundamental Research in Colloids, Surfaces & Nanomaterials NNB

E

Nanomaterials in Drug Delivery: Efficacy & Toxicity Considerations ** NNB Topics in Chemical Toxicology NNB Innovations in Chemistry Supporting Strategic Human Health Risk Assessments *(AGRO)

P CHAL

Division of Chemistry & the Law

K. Bianco, K. McIntyre, Program Chairs Boston Convention & Exhibition Center

S

Strengthening Your Patent Rights in Light of Recent Federal Circuit Court Decisions

P

M Tu W Th

Developments in Pharmaceutical Patent Law **

A

Extensions to Patent Term in the U.S. & Worldwide

P

Sci-Mix

E

Sci-Mix

D A

E

Toward Atomic Precision in Controlling the Low Dimensional Materials NNB

A D A P

Recent Developments in the Protection of Nanotechnology-Related Intellectual Property **

A

Langmuir Lectures, NanoLetters Award Lecture, ACS Materials & Interfaces Award Lecture ** NNB

Protecting Your Ideas in the Chemical Arts

P

Technical Developments & Applications of Optical Chemical Imaging *(ANYL)

D D A

Nanotechnology & Single Cell Analysis in Biology & Medicine: Next Frontier *(ANYL)

D D

Non-Traditional Careers in Chemistry **

A

The Many Faces of CHAL: Where Chemistry Meets the Law

P

Chemical Structure Searching for Patent Information *(CINF)

D

Intellectual Property Basics for Chemical Businesses *(SCHB)

P

Pesticides & Chemophobia in the News: What You Need to Know as a Scientist & Consumer *(AGRO)

P

*Co-sponsored symposium with primary organizer shown in parenthesis; located with primary organizer. **Primary organizer of a cosponsored symposium. CIGE: Chemistry’s Impact on the Global Economy A = AM  AE = AM/EVE  D = AM/PM  DE = AM/PM/EVE  E = EVE P = PM  PE = PM/EVE NNB = Nanoscience, Nanotechnology & Beyond

59

TECHNICAL PROGRAM SUMMARY

Division of Chemical Information (continued)

TECHNICAL PROGRAM SUMMARY

Division of Colloid & Surface Chemistry (continued)

Division of Computers in Chemistry (continued)

CO LL R. Nagarajan, Program Chair

Boston Convention & Exhibition Center

S

Interfacial Chemistry under Nanoscale Confinement *(GEOC)

D

M Tu W Th

CO M P

H. Woodco*ck, J. Shen, M. Feig, Program Chairs Westin Boston Waterfront

S

M Tu W Th

Wiley Computers in Chemistry Outstanding Postdoc Award **

E

Surface, Interface & Coating Materials *(PMSE)

D D D A

A

Molecular Understanding of the Structure & Reactivity of Mineral-Water Interfaces *(GEOC)

Molecular Mechanics: Computational Studies of Membranes & Transmembrane Channels & Transporters

D

Quantum Mechanics NNB

D A

Undergraduate Research Posters *(CHED)

P

Molecular Mechanics

P

Structure & Function of 2D Materials *(ANYL)

D

Functional Materials from Biopolymer SelfAssembly & Self-Organization *(CELL)

D A

Molecular Interactions of Synthetic Nanoparticles with Membranes *(ANYL)

D

Peter Derrick Memorial Symposium: Nanomaterials & Safe Evaluation *(ENFL)

P

Division of Computers in Chemistry

CO M P

A

H. Woodco*ck, J. Shen, M. Feig, Program Chairs Westin Boston Waterfront

Computational Studies of Water Membrane Protein Simulations & Free Energy Approaches

S A

M Tu W Th

D D

Emerging Technologies in Computational Chemistry

D

P

Computational Photocatalysis: Modeling of Photophysics & Photochemistry at Interfaces NNB

D D D D

Revolutionizing Chemistry with Artificial Intelligence NNB

D D D

Data to Decisions: Frank Brown Memorial Symposium

D

Sci-Mix

E

P

Undergraduate Research Posters *(CHED)

P

A D D

GSSPC: Frontiers in Computational Chemistry: Bridging the Gap Between Theory & Experiment *(CHED)

D

DARPA Make-It Program: Automating Small Molecule Route Design, Optimization & Synthesis *(COMSCI)

D

Computational Methods for Lanthanides & Actinides: Theory & Applications *(NUCL)

E

P

E NFL

Renaissance Boston Waterfront

S

Petroleum, Natural Gas, Gas Hydrates & Shale Gas

M Tu W Th

D A

USA-China Symposium on Energy NNB

D D D

Battery Technology: Vehicle to Grid NNB

D D

2D Materials: Innovative Materials & Devices for Energy & Fuels NNB

D D

Carbon Dioxide Conversion & Artificial Photosynthesis NNB

D

Innovative Nanomaterials Used in Solar Energy NNB

D

Innovative Materials & Integrated Pathways for Sustainable Energy & Resource Production NNB

D

Nanoscience of Energy Storage NNB

D A D

Innovative Chemistry, Materials & Characterizations for Electrochemical Energy Storage NNB

D D D A

Sustainable Energy Conversion via Innovative Electrocatalysis & Photocatalysis

D D D

E

Energy & Fuels Storch Award in Fuel Science: Symposium in Honor of Andrew Herring ** NNB

D D

E

Novel Catalytic Materials NNB

P

Advancing RNA Designs

A

Drug Design

P

Chemical Computing Group Graduate Student Travel Awards

E

NVIDIA GPU Award

E

OpenEye Outstanding Junior Faculty Award Poster Session

60

Materials in Extreme Environments *(PHYS)

J. Liu, Program Chair

Recent Advances in DFT & TDDFT: Theory & D D D Simulations NNB COMP Meets CRYO: New Frontiers in Flexible Fitting, Image Processing & Refinement of Cryo-EM Data NNB

D

A

Division of Energy & Fuels

D D D

Material Science NNB

Use of Computer Simulation to Teach Chemical Kinetics & Enzyme Kinetics in Undergraduate Research & Education *(CHED)

D D

D D

Division of Environmental Chemistry (continued)

E NFL J. Liu, Program Chair

S

Renaissance Boston Waterfront

Nanomaterials Used in Energy & Fuels

M Tu W Th

E

Sci-Mix Nanomaterials & Nanotechnology in the Oil & Gas Industry NNB

D A

Biomass to Energy, Chemicals & Functional Materials NNB

D D

2018 Energy & Fuels Joint Award for Excellence in Publication: Symposium in Honor of Fateme Rezaei ** NNB

P

Sustainable Bioenergy Production

A

International Symposium on Mesoporous Zeolites

D

Peter Derrick Memorial Symposium: Nanomaterials & Safe Evaluation ** NNB

P

A

Perovskite Solar Cell & Water Splitting for Efficient Hydrogen Generation NNB

P

A

Nanoscaled Electrocatalysts Used in Fuel Cells & Hybrid Vehicles NNB

A

Catalysis for Environmental & Energy Applications *(ENVR)

A

AE

Waste to Product: Biological & Physicochemical Resource Recovery & Efficiency *(ENVR)

D A

E

Designing Polymers for Function in Electrochemical Energy Storage Devices *(PMSE)

D D

Analysis of Materials for Energy Storage *(ANYL)

D

Thermochemical & Biochemical Conversions of Biomass to Biofuels & Biomaterials for Energy & Environmental Applications *(ENVR)

P

Advanced Materials for Energy & the Environment: Design, Fabrication & Application *(ENVR)

D

E

D DE D

Electrical/Electrochemical Technologies for Environmental Applications *(ENVR)

DE D E NVR

Division of Environmental Chemistry

J. Goldfarb, Program Chair Boston Convention & Exhibition Center

S

M Tu W Th

SETAC-ENVR Joint Symposium: Legacy & Emerging Per- & Polyfluoroalkyl Substances: D A Identification, Fate, Transport, Exposure & Removal **

P

NNB

E NVR

J. Goldfarb, Program Chair Boston Convention & Exhibition Center

S

M Tu W Th

Catalysis for Environmental & Energy Applications ** NNB

A

AE

Advances in Sensors & Biosensors for Environmental Monitoring **

D A

E

Waste to Product: Biological & Physicochemical Resource Recovery & Efficiency **

D A

E

Environmental Behaviors & Health Effects of Pollutants: A Symposium in Honor of Prof. Guibin Jiang **

D D

E

Water Reuse & Recycling: Innovative Solutions for Treatment & Implementation **

D

E

Environmental Nanometrology ** NNB

D

Chemistry of Struvite & Slow-Release Fertilizers: From Fundamentals of Crystal Growth to Engineered Nutrient Recovery & Their Release **

P

SETAC-ENVR Joint Symposium: Legacy & Emerging Organic Contaminants in the Great Lakes, Seas & Oceans **

P

E

Emerging Challenges in the Era of Drinking Water Insecurity & Inequality & the Search for Low-Cost Solutions **

A

Citizen Science & Chemistry **

A

Advances in Carbon Nanomaterial Design & Applications for Environmental Sustainability NNB

D

E

Environmental Health & Safety of Emerging Chemicals & Technologies **

D

E

Synthetic Biology: The State of the Science **

D

Environmental Biofilm Engineering: Harnessing the Power of Biofilms for Contaminant Removal & Resource Recovery **

P

A

Chemical Reactions at Solid-Water Interfaces of the Natural & Built Environment **

P

D DE A

Thermochemical & Biochemical Conversions of Biomass to Biofuels & Biomaterials for Energy & Environmental Applications **

P

D

Microplastic Pollution: Sources, Sinks & Solutions **

P

Showcasing Emerging Investigators: A Symposium by the RSC Environmental Science Journals ** NNB

P

E

E

E

*Co-sponsored symposium with primary organizer shown in parenthesis; located with primary organizer. **Primary organizer of a cosponsored symposium. CIGE: Chemistry’s Impact on the Global Economy A = AM  AE = AM/EVE  D = AM/PM  DE = AM/PM/EVE  E = EVE P = PM  PE = PM/EVE NNB = Nanoscience, Nanotechnology & Beyond

61

TECHNICAL PROGRAM SUMMARY

Division of Energy & Fuels (continued)

TECHNICAL PROGRAM SUMMARY

Division of Environmental Chemistry (continued)

Division of Environmental Chemistry (continued)

E NVR

J. Goldfarb, Program Chair Boston Convention & Exhibition Center

S

Sci-Mix

M Tu W Th E

E NVR

J. Goldfarb, Program Chair Boston Convention & Exhibition Center

S

M Tu W Th

Reducing Uncertainty in Modeling the Environmental & Human Health Exposure to Agrochemicals *(AGRO)

A

Green Chemistry & the Environment **

D AE

Advanced Oxidation for Water Treatment: Applications & Implications

D DE A

D

Advanced Materials for Energy & the Environment: Design, Fabrication & Application ** NNB

Rational Design of Multifunctional Renewable-Resourced Materials *(CELL)

D DE D

D

Fate of Nanomaterials in Consumer Products: Transformation & Transportation in the Environment NNB

Molecular Understanding of the Structure & Reactivity of Mineral-Water Interfaces *(GEOC)

D

E

P

Novel Treatment Approaches for Emerging Contaminants in Groundwater Systems **

Uses of Mass Spectrometry in Agricultural Research & Development: New Trends & Best Practices *(AGRO)

D

E

C. Ellen Gonter Environmental Graduate Student Award Symposium **

P

P

Environmental Study Design: Current & Emerging Guidelines to Fulfill Regulatory Needs *(AGRO) Showcasing Emerging Investigators: A Symposium by the RSC Environmental Science Journals *(ENVR)

P

Undergraduate Research Posters *(CHED)

P

From Lab to Tap: Implications of Scaling Up Nano-Enabled Environmental Technologies ** NNB

D

Physicochemical & Biological Phenomena on Sorbent Surfaces in Environmental Applications **

DE A

Electrical/Electrochemical Technologies for Environmental Applications **

DE D

Wastewater-Based Epidemiology: Opportunities & Challenges **

D

P

Non-Extractable Residue (NER) BioAccessibility & Potential Risks *(AGRO)

A

P

D

D

PE A

Synthesis & Chemistry of Agrochemicals: ACS Industrial Chemistry Award Symposium in Honor of George P. Lahm *(AGRO)

Environmental Obesogens: Exposure Pathways, Mechanism of Action & Trends **

PE

AGRO-SETAC Joint Symposium: Role of Monitoring Data in Advancing Regulatory Risk Assessment *(AGRO)

A

Nanobubbles: A Sustainable Solution for Water Treatment & Agricultural Applications NNB

E

Visualizing Heavy Element Contamination in the Environment at the Nanoscale *(GEOC)

A

Division of Environmental Chemistry General Poster Session

E

Functional Materials from Biopolymer SelfAssembly & Self-Organization *(CELL)

D A

Legacy & Emerging Organic Contaminants in the Great Lakes, Seas & Oceans

E

Atmospheric Fate & Transport of Volatilized Agricultural Emissions *(AGRO)

D

Legacy & Emerging Per- & Polyfluoroalkyl Substances: Identification, Fate, Transport, Exposure & Removal

P

E

Environmental Study Design: Current & Emerging Guidelines *(AGRO) New Analytical Technologies for Pesticide Analysis *(AGRO)

P

D

How Can Advances in Chemistry Improve Human Health Exposure Assessment? *(AGRO)

A

P

Synergistic Approaches to Lignocellulosic Biomass Research *(CELL)

Pesticides & Chemophobia in the News: What You Need to Know as a Scientist & Consumer *(AGRO)

D

P

Microbial Chemical Processes & Advanced Nanotechnology for Contaminated Site Remediation *(GEOC)

Role of Monitoring Data in Advancing Regulatory Risk Assessment *(AGRO)

E

Surfactant & Colloid Science as Applied to Agrochemical Formulations *(AGRO)

P

P

Pesticide Spray Drift: Application, Evaluation & Mitigation *(AGRO)

A

Fate & Metabolism of Xenobiotics: In Vitro & In Silico Studies *(AGRO)

A

62

P

AGRO-SETAC Joint Symposium: Challenges of Utilizing Higher-Tier Ecotoxicity Data in Risk Assessment & Risk Management of Pesticides *(AGRO)

A

N. Kabengi, Program Chair

S

Boston Convention & Exhibition Center

M Tu W Th

Division of Industrial & Engineering Chemistry (continued)

I&E C

C. Abney, R. Mayes, Program Chairs

S

Seaport Boston Hotel

M Tu W Th E

Interfacial Chemistry under Nanoscale Confinement **

D

General Posters

General Geochemistry

PE

Microbial Chemical Processes & Advanced Nanotechnology for Contaminated Site Remediation **

Catalysis for Environmental & Energy Applications *(ENVR)

A

AE

E

Waste to Product: Biological & Physicochemical Resource Recovery & Efficiency *(ENVR)

D A

E

Water Reuse & Recycling: Innovative Solutions for Treatment & Implementation *(ENVR)

D

E

Molecular Understanding of the Structure & Reactivity of Mineral-Water Interfaces **

P D

Mechanistic Understanding of Mineral Growth & Dissolution

D

Visualizing Heavy Element Contamination in the Environment at the Nanoscale **

A

Environmental Behaviors & Health Effects of Pollutants: A Symposium in Honor of Prof. Guibin Jiang *(ENVR)

D D

Environmental Nanometrology *(ENVR)

D

SETAC-ENVR Joint Symposium: Legacy & Emerging Organic Contaminants in the Great Lakes, Seas & Oceans *(ENVR)

P

Chemical Reactions at Solid-Water Interfaces of the Natural & Built Environment *(ENVR)

E

D DE A D

E

Novel Treatment Approaches for Emerging Contaminants in Groundwater Systems *(ENVR)

P

D

E

Division of the History of Chemistry

H IST

N. Tsarevsky, Program Chair

S A

Seaport Boston Hotel

Tutorial & General Papers Past ACS Presidents: The Life & Career of Arthur Cope

M Tu W Th

P

Louis Pasteur’s Discovery of Molecular Chirality: Review & Analysis on the 170th Anniversary

D

Sci-Mix

E

HIST Award Symposium Honoring David Lewis **

D P

Polymer History *(POLY)

Division of Industrial & Engineering Chemistry

I&E C

C. Abney, R. Mayes, Program Chairs Seaport Boston Hotel

S

Industrial Research of Chemists Local to the New England Region **

P D

Sci-Mix

E

General Papers ** NNB

Nanomaterials: Applications, Safety Considerations & Implications for Human Health & the Environment *(CHAS)

P

D

E

D D

INO R

Division of Inorganic Chemistry

N. Radu, S. Koch, Program Chairs Boston Convention & Exhibition Center

S

Undergraduate Chemistry Majors Inorganic Symposium

M Tu W Th

A

Inorganic Catalysts

AE A

Bioinorganic Chemistry

AE

Recent Advances in Red & Black Phosphorus Chemistry

D A

Coordination Chemistry

D A

P DE

E DE

Chemistry of Materials

D D D DE

Organometallic Chemistry

DE P AE DE

Electrochemistry

P

Inorganic Young Investigator Awards

P

E

Organometallics Distinguished Author Symposium

P

Recent Advances in the Photochemistry & Photophysics of the P-Block Elements

E

Lanthanide & Actinide Chemistry

E

P

Solid-State Inorganic Chemistry

E

P

Main Group Chemistry

E

P

D

P

M Tu W Th

Chemistry of Molten Salts ** I&EC Graduate Student Awards Symposium **

P

Synthesis & Chemistry of Agrochemicals: ACS Industrial Chemistry Award Symposium in Honor of George P. Lahm *(AGRO)

P

Environmental Radiochemistry *(NUCL)

Thermochemical & Biochemical Conversions of Biomass to Biofuels & Biomaterials for Energy & Environmental Applications *(ENVR)

D A

*Co-sponsored symposium with primary organizer shown in parenthesis; located with primary organizer. **Primary organizer of a cosponsored symposium. CIGE: Chemistry’s Impact on the Global Economy A = AM  AE = AM/EVE  D = AM/PM  DE = AM/PM/EVE  E = EVE P = PM  PE = PM/EVE NNB = Nanoscience, Nanotechnology & Beyond

63

TECHNICAL PROGRAM SUMMARY

GE OC

Division of Geochemistry

TECHNICAL PROGRAM SUMMARY

Division of Inorganic Chemistry (continued)

INO R

Division of Medicinal Chemistry (continued)

ME D I A. Stamford, Program Chair

N. Radu, S. Koch, Program Chairs

S

M Tu W Th

M Tu W Th

Boston Convention & Exhibition Center

Inorganic Chemistry Lectureship: Symposium in Honor of Leroy Cronin

A

A

The Halpern Legacy: Mechanism, Catalysis & Organotransition Metal Chemistry

Projects of NCI Chemical Biology Consortium: A Unique, Collaborative Approach to Cancer Drug Discovery **

D D

P

Women in Nanotechnology **

D

Structure-Based Drug Design for GPCRs & Other Difficult Targets

Water Splitting & Solar Fuels: Progress & Challenges to Widespread Utilization

P

Pathways for Industrial Chemists Symposium

P

Sci-Mix

E

S

Boston Convention & Exhibition Center

D

Inorganic Spectroscopy

A

Inorganic Nanoscience Award Symposium

A

Nanoscience

E

A

Environmental & Energy-Related Inorganic Chemistry

E

D

Chemical Applications of Ultrafast X-Ray/ XUV Spectroscopy & Scattering *(PHYS)

D D A D A

Synthesis & Characterization of Nanomaterials for Sustainable Energy *(MPPG)

D D

Chemistry of Materials Lectureship & Best Paper Award *(PMSE)

A

Innovation & Commercialization in the Chemical Sector *(SCHB)

A

Undergraduate Research Posters *(CHED)

P

Mechanisms of Binding, Transport & Biotransformation of Toxic Metals *(TOXI)

E

S A

Small-Molecule Approaches to the Treatment of Inflammatory Bowel Disease

A

Awards Session **

P

Emerging Trends in Target Identification

P

General Poster Session

E

Best Practices in Fragment-Based Drug Design

M Tu W Th A P P

E

New Advances in Treating Rare Diseases

A

Biology’s Magic Methyl: Methyltransferases & Demethylases as Epigenetic & Neurotransmitter Regulators

P

D

Structures & Functions of Glycans *(CARB)

P

D

Tetrahedron Prize *(ORGN)

P

Undergraduate Research Posters *(CHED)

P

DARPA Make-It Program: Automating Small Molecule Route Design, Optimization & Synthesis *(COMSCI)

D A NU C L

Seaport Boston Hotel

S

Honor Symposium for Dr. Leonard Mausner **

A

New Radioisotope Chemistry for Nuclear Medicine

P

M Tu W Th

Nuclear Forensics

A

Environmental Radiochemistry **

P

D

E

General Topics in Radiochemistry

A

Radiochemistry Education

P

A

Computational Methods for Lanthanides & Actinides: Theory & Applications **

E

P

D

Visualizing Heavy Element Contamination in the Environment at the Nanoscale *(GEOC)

A O RG N

Division of Organic Chemistry

R. Broene, S. Silverman, Program Chairs

New Reactions & Methodology

S M Tu W Th D D D E

Heterocycles & Aromatics

D D

Boston Convention & Exhibition Center

Confronting the Opioid Epidemic: Novel Treatments for Chronic Pain

P

Young Investigator Symposium

Drug Discovery for the Treatment of Childhood Neuromuscular Diseases

P

Green Chemistry Innovations as a Useful Tool in the Pharmaceutical Industry

D

Sci-Mix

E

Photoredox Chemistry

DE

64

D

Bioactives & Skin Health *(AGFD)

Chemistry of Molten Salts *(I&EC)

A

A

D

Bioactives & Neurodegenerative Diseases *(AGFD)

J. Auxier, Program Chair

A. Stamford, Program Chair

General Oral Session

First-Time Disclosure of Clinical Candidates

Division of Nuclear Chemistry & Technology

ME DI

Boston Convention & Exhibition Center

A

Nanomaterials in Drug Delivery: Efficacy & Toxicity Considerations *(TOXI)

A

Division of Medicinal Chemistry

Antibiotic Resistance: Recent Advances in Drug Discovery & Development

E

Division of Organic Chemistry (continued)

O R GN

R. Broene, S. Silverman, Program Chairs

M Tu W Th

JOC-OL Lectureship

S P

Asymmetric Reactions & Syntheses

E

D A

Peptides, Proteins & Amino Acids

E

D

Metal-Mediated Reactions & Syntheses

E

P

CH Activation

E

Boston Convention & Exhibition Center

Organometallics Distinguished Author Award

O RG N

R. Broene, S. Silverman, Program Chairs

S

Boston Convention & Exhibition Center

M Tu W Th

Surfactant & Colloid Science as Applied to Agrochemical Formulations *(AGRO)

P

New Synthetic Tools & Analytical Methods for the Near-IR *(ANYL)

A

D PH YS

Division of Physical Chemistry

D

M. Duncan, Program Chair

A

Boston Convention & Exhibition Center

S M Tu W Th D D A A

M-CHEM: A Whole Lot of Shaking Going On **

A

Biologically Related Molecules & Processes

D

E

Characterization, Detection & Application of Excitons in Chemistry NNB

D D A D A

Physical Organic Chemistry: Calculations, Mechanisms, Photochemistry & HighEnergy Species

D

E

Chemical Applications of Ultrafast X-Ray/ XUV Spectroscopy & Scattering ** NNB

D D A D A

Role of Organic Chemistry in Early Clinical Drug Development

Electrochemical Interfaces NNB

D D A D A

D

Flow Chemistry & Continuous Processes

P

Tetrahedron Prize **

P

Sci-Mix

E

Nanoscience, Nanotechnology & Beyond

Strong Field Chemistry

Ultrafast Molecular Sciences by Femtosecond Photons & Electrons: D D A D A Symposium in Honor of Ahmed Zewail NNB

E

AE

NNB

Cope Award Symposium

D

Young Academic Investigator Symposium

D

Molecular Recognition & Self-Assembly

E

Chemistry of Fullerenes, Carbon Nanotubes & Graphene

E

Materials, Devices & Switches

E

P

A

Technical Achievements in Organic Chemistry **

D

Diminutive Molecules, Big Impact: The Chemistry of ADC Linker-Payloads

D

Total Synthesis of Complex Molecules

DE A

Carbon Allotrophes, Materials, Devices & Switches

P

Reporting & Reproducibility of Chemistry Research Data *(CINF)

D

Structures & Functions of Glycans *(CARB)

P

A

Publishing Chemical Data *(CINF)

D

Information Theory & Dynamics: From Elementary Processes to Systems Chemistry: Symposium in Honor of Raphael Levine NNB

D D

New Spectroscopic Techniques for Astrochemistry

P

D D

DARPA Make-It Program: Automating Small Molecule Route Design, Optimization & Synthesis *(COMSCI)

D

P

D A D D

Materials in Extreme Environments ** NNB

P

Sci-Mix

E

A D D

Structural Photonics: Determining the Structural Influence on the Physical Properties of Photonic Materials NNB

A D D

PHYS Awards Symposium ** NNB

P E

PHYS Poster Session Technical Developments & Applications of Optical Chemical Imaging *(ANYL)

D D A

Nanotechnology & Single Cell Analysis in Biology & Medicine: Next Frontier *(ANYL)

D D

Molecular Interactions of Synthetic Nanoparticles with Membranes *(ANYL)

Synthesis & Chemistry of Agrochemicals: ACS Industrial Chemistry Award Symposium in Honor of George P. Lahm *(AGRO)

Strategies for Radiolabeling Agrochemicals in Regulatory Studies & Advanced Techniques for Characterization *(AGRO)

D D A D D

Structure & Function of 2D Materials *(ANYL)

D

M-CHEM: A Whole Lot of Shaking Going On *(ORGN)

A

From Potential Energy Surfaces to Dynamics & Kinetics NNB

D D

*Co-sponsored symposium with primary organizer shown in parenthesis; located with primary organizer. **Primary organizer of a cosponsored symposium. CIGE: Chemistry’s Impact on the Global Economy A = AM  AE = AM/EVE  D = AM/PM  DE = AM/PM/EVE  E = EVE P = PM  PE = PM/EVE NNB = Nanoscience, Nanotechnology & Beyond

65

TECHNICAL PROGRAM SUMMARY

Division of Organic Chemistry (continued)

TECHNICAL PROGRAM SUMMARY

P O LY

Division of Polymer Chemistry

C. Lipscomb, T. Epps, B. Helms, Program Chairs Westin Boston Waterfront

S

M Tu W Th

General Topics: New Synthesis & Characterization of Polymers

D A

Vitrimers & Other Covalent Adaptable Networks

D D AE

E

D A

Polymer Chemistry for Functional Materials D D DE TOSOH Lectures **

D D DE

Polymer Science of Everyday Things

D

Polymers in Cultural Heritage

D

Division of Polymeric Materials Science & Engineering

PMS E

E. Harth, B. Olsen, C. Snyder, X. Jia, A. Norman, Program Chairs Westin Boston Waterfront

S

Eastman Chemical Student Award in Applied Polymer Science **

M Tu W Th

A

Porous Polymers ** NNB

D D D D

Designing Polymers for Function in Electrochemical Energy Storage Devices ** NNB

D D

Dynamic Bonds for Structurally Precise Polymeric Materials NNB

D D

Industrial Polymer Scientist Award Symposium in Honor of Qinghuang Lin

A

D D

Ionic Liquids in Polymer Science & Engineering: From Molecular Design to Energy & Beyond

Probing Structure & Morphology of Polymers & Polymer Composites in Real & Reciprocal Space NNB

D DE A

Tough & Toughened Polymers NNB

D D

Block Polymer Synthesis & Nanoscale SelfAssembly NNB

PMSE Young Investigators’ Symposium

D D

P DE D A

D

Industrial Innovations in Polymer Science

P

General Papers & New Concepts in Polymeric Materials Stereochemical Enhancement of Materials Properties

D

Journal of Polymer Science Innovation Award: Symposium in Honor of Rachel O’Reilly **

P

Polymers for Defense Applications

DE D A

Materials Genome Approach to Structure & Function

PE D A

DSM Science & Technology Award

A

Biomacromolecules/Macromolecules Young Investigator Award

P

Polymer History **

P

POLY/PMSE Plenary & Awards Event **

E

Porous Polymers *(PMSE)

D D D D

Synergistic Approaches to Lignocellulosic Biomass Research *(CELL)

D

Value-Added Derivatives from Agro-Based Raw Materials *(AGFD)

E

D A

Chemistry of Materials Lectureship & Best Paper Award ** Surface, Interface & Coating Materials ** NNB

A D A

A D D D A

PMSE Future Faculty Symposium

D D

Synthesis, Processing & Device Engineering of Polymeric Electronic Materials NNB

P

Sci-Mix

E

D D

Structure & Assembly of Food Biopolymers *(AGFD)

D A

Bioconjugate Chemistry Lectureship & Award: Symposium in Honor of Wolfgang Parak ** NNB

Surface, Interface & Coating Materials *(PMSE)

D D D A

Multifunctional Nanocomposites & Surface Damage Phenomena in Polymers NNB

D D

Rational Design of Multifunctional Renewable-Resourced Materials *(CELL)

D D

Roy W. Tess Award: Symposium in Honor of Christopher Bowman **

D

Undergraduate Research Posters *(CHED)

P

Advances in Human Space Exploration: Second ACS NASA Symposium

D

Advances in Bioconjugate Materials for Biomedical Applications

P E

Joint PMSE-POLY Poster Session *(PMSE)

E

Henkel Award for Outstanding Graduate Research in Polymer Chemistry: Symposium in Honor of Aleksandr V. Zhukhovitskiy *(PMSE)

A

Joint PMSE-POLY Poster Session **

Functional Materials from Biopolymer SelfAssembly & Self-Organization *(CELL)

D A

Henkel Award for Outstanding Graduate Research in Polymer Chemistry: Symposium in Honor of Aleksandr V. Zhukhovitskiy **

A

A

Polymer Nanoscience & Nanotechnology

D

NNB

TOSOH Lectures *(POLY) Block Polymer Synthesis & Nanoscale SelfAssembly *(POLY)

66

D D DE P DE D A

P MSE

Division of Professional Relations (continued)

E. Harth, B. Olsen, C. Snyder, X. Jia, A. Norman, Program Chairs Westin Boston Waterfront

S

Undergraduate Research Posters *(CHED)

M Tu W Th P

Polymer History *(POLY)

P

POLY/PMSE Plenary & Awards Event *(POLY)

E PROF

Division of Professional Relations

R. Libby, Program Chair

M Tu W Th

PRO F R. Libby, Program Chair

Aloft Boston Seaport

Francis P. Garvan–John M. Olin Medal Symposium in Honor of Valerie Kuck *(WCC)

S

M Tu W Th P

Young Scientist/JAFC Best Paper Awards *(AGFD)

A

Bioconjugate Chemistry Lectureship & Award: Symposium in Honor of Wolfgang Parak *(PMSE)

A

Aloft Boston Seaport

S

Women of Color in the Academy: Empirical Studies & Models of Success **

A

A

Importance of LGBTQ+ Role Models & Mentors in Chemical Sciences: A Symposium in Honor of Barbara Belmont **

Financial & Business Formation Strategies for Start-Ups & Chemical-Related Businesses *(SCHB)

P

HIST Award Symposium Honoring David Lewis *(HIST)

D

Roy W. Tess Award: Symposium in Honor of Christopher Bowman *(PMSE)

D

I&EC Graduate Student Awards Symposium *(I&EC)

D

Mom the Chemistry Professor *(WCC)

D

C. Ellen Gonter Environmental Graduate Student Award Symposium *(ENVR)

P

AGFD Award Symposium in Honor of Dr. Sevim Erhan *(AGFD)

P

Langmuir Lectures, NanoLetters Award Lecture, ACS Materials & Interfaces Award Lecture *(COLL)

P

P

How to Get Your 1st Industrial Job **

A

TRiO & Chemistry **

P

Sci-Mix

E

Broadening Participation in STEM: Empirical Studies & Models of Success **

D

Exploring the “Nano”: Leveraging Unique Abilities

P

Honor Symposium for Dr. Leonard Mausner *(NUCL)

A

Eastman Chemical Student Award in Applied Polymer Science *(PMSE)

A

Chemistry Teachers Day Program *(CHED)

D

2018 Energy & Fuels Joint Award for Excellence in Publication: Symposium in Honor of Fateme Rezaei *(ENFL)

Informal STEM Education: Innovation & Collaboration *(CHED)

D

PHYS Awards Symposium *(PHYS)

P

Awards Session *(MEDI)

P

Wiley Computers in Chemistry Outstanding Postdoc Award *(COMP)

E

Founders’ Award *(TOXI)

P

Intellectual Property Basics for Chemical Businesses *(SCHB)

P

Chemical Angel Network: Chemists Investing in Chemical Companies *(BMGT)

P

Colloid & Surface Chemistry in Industry: Applications & Career Opportunities *(COLL)

E

Entrepreneurs’ Poster Session *(SCHB)

E

Merck Research Award Symposium *(WCC) A

A

D

Developments in Pharmaceutical Patent Law *(CHAL)

A

Energy & Fuels Storch Award in Fuel Science: Symposium in Honor of Andrew Herring *(ENFL)

D D

Science Diplomacy & Chemistry Education *(CHED)

D

Showcasing Emerging Investigators: A Symposium by the RSC Environmental Science Journals *(ENVR)

P

Eminent Scientist Lecture & Luncheon with Dr. JoAnne Stubbe *(SOCED)

P

Henkel Award for Outstanding Graduate Research in Polymer Chemistry: Symposium in Honor of Aleksandr V. Zhukhovitskiy *(PMSE)

A

Non-Traditional Careers in Chemistry *(CHAL)

A

POLY/PMSE Plenary & Awards Event *(POLY)

E

Legal Aspects of Agriculture, Agrochemicals & Agribusiness *(AGRO)

A

*Co-sponsored symposium with primary organizer shown in parenthesis; located with primary organizer. **Primary organizer of a cosponsored symposium. CIGE: Chemistry’s Impact on the Global Economy A = AM  AE = AM/EVE  D = AM/PM  DE = AM/PM/EVE  E = EVE P = PM  PE = PM/EVE NNB = Nanoscience, Nanotechnology & Beyond

67

TECHNICAL PROGRAM SUMMARY

Division of Polymeric Materials Science & Engineering (continued)

TECHNICAL PROGRAM SUMMARY

Division of Small Chemical Businesses

SCHB

Committee on Environmental Improvement (continued)

CE I

J. Sabol, Program Chair

S

Aloft Boston Seaport

Open House with Division of Small Chemical Businesses

A

Intellectual Property Basics for Chemical Businesses **

P

Entrepreneurs’ Poster Session **

E

M Tu W Th

In Memory of Arthur Obermayer, CoFounder of the Small Business Innovative Research (SBIR) Grant Programs

P

Sci-Mix

E

Catalyzing Collaborations from Ideas to Commercial Development

P

C. Kuniyoshi, J.C. Schlatterer, N. DiFabio, Program Chairs

M Tu W Th

Water (The Greenest Solvent): Catalysis in Aqueous & Bi-Phase Systems *(CATL)

D A C EI

C. Middlecamp, Program Chair

S

M Tu W Th

SETAC-ENVR Joint Symposium: Legacy & Emerging Per- & Polyfluoroalkyl Substances: D A Identification, Fate, Transport, Exposure & Removal *(ENVR) Citizen Science & Chemistry *(ENVR)

A

Environmental Health & Safety of Emerging Chemicals & Technologies *(ENVR)

D

Synthetic Biology: The State of the Science *(ENVR)

D

Microplastic Pollution: Sources, Sinks & Solutions *(ENVR)

P

Undergraduate Research Posters *(CHED)

P

S

Chemistry as a Second Language: Strategies for Global Scientific Communication *(YCC)

P

M Tu W Th

D P

Green Chemistry Theory & Practice: Nanoscience, Nanotechnology & Beyond *(CHED)

D CMA

Committee on Minority Affairs

J. Sarquis, R. Joseph, Program Chairs Located with Primary Sponsor

S

Importance of LGBTQ+ Role Models & Mentors in Chemical Sciences: A Symposium in Honor of Barbara Belmont *(PROF)

P

Emerging Challenges in the Era of Drinking Water Insecurity & Inequality & the Search for Low-Cost Solutions *(ENVR)

M Tu W Th

A

E

CO MSCI

Committee on Science

M. Fisher, Program Chair

E

Green Chemistry & the Environment *(ENVR)

D AE

Advanced Materials for Energy & the Environment: Design, Fabrication & Application *(ENVR)

D DE D

68

Located with Primary Sponsor

Celebrating the Success of an Exchange Program for German & American Chemistry Students *(CHED)

AE I

Committee on Environmental Improvement

IAC

Science Diplomacy & Chemistry Education *(CHED)

P

Academic Employment Initiative

D

J. Breffke, Program Chair

A

Located with Primary Sponsor

D

International Activities Committee

Financial & Business Formation Strategies for Start-Ups & Chemical-Related Businesses **

S

M Tu W Th

Green Chemistry Theory & Practice: Nanoscience, Nanotechnology & Beyond *(CHED)

A

Located with Primary Sponsor

S

Citizens First! Using Real-World Contexts for Engaging Students in Learning Chemistry *(CHED)

Innovation & Commercialization in the Chemical Sector **

Chemical Angel Network: Chemists Investing in Chemical Companies *(BMGT)

C. Middlecamp, Program Chair Located with Primary Sponsor

Boston Convention & Exhibition Center

S

M Tu W Th

DARPA Make-It Program: Automating Small Molecule Route Design, Optimization & Synthesis **

D

Synthetic Biology: The State of the Science *(ENVR)

D

Ion Transport at the Nanoscale: Research & Capabilities at the DOE’s Nano Centers *(PRES)

D

A. Keirstead, Program Chair

YCC

Younger Chemists Committee

D. Williams, M. Brann, K. Heroux, Program Chairs

M Tu W Th

Westin Boston Waterfront

S

P

Chemistry as a Second Language: Strategies for Global Scientific Communication **

P

Undergraduate Research Posters *(CHED)

P

Successful Student Chapters *(CHED)

E

Artificial Intelligence & its Impact on The Chemical Enterprise ** NNB

Seaport Boston Hotel

S

Eminent Scientist Lecture & Luncheon with Dr. JoAnne Stubbe ** Undergraduate Research Papers *(CHED)

P

C. Libby, Program Chair Located with Primary Sponsor

S

Industrial Research of Chemists Local to the New England Region *(I&EC)

P

M Tu W Th

A

How to Get Your 1st Industrial Job *(PROF) I&EC Graduate Student Awards Symposium *(I&EC)

D A

General Papers *(I&EC) Technical Achievements in Organic Chemistry *(ORGN)

D WCC

Women Chemists Committee

R. Cole, Program Chair Westin Boston Waterfront / Sheraton Boston Hotel

S

Merck Research Award Symposium **

A

Francis P. Garvan–John M. Olin Medal Symposium in Honor of Valerie Kuck **

M Tu W Th

P D

Mom the Chemistry Professor **

A

Best of Both Worlds: Green Chemistry in Academia & Industry

C TA

Committee on Technician Affairs

M Tu W Th

D

Chemistry in Space & Past, Present & Future ** NNB

A

Student-Organized Symposia: Supramolecular Analytical Chemistry *(ANYL)

D

Student Organized Symposia: Preparative Mass Spectrometry: Recent Advances & Applications *(ANYL)

P

How to Get Your 1st Industrial Job *(PROF)

A

TRiO & Chemistry *(PROF)

P

Celebrating the Success of an Exchange Program for German & American Chemistry Students *(CHED)

P

Student-Organized Symposia: New Paradigms in Nanoscale Electrocatalysis *(ANYL)

A

Non-Traditional Careers in Chemistry *(CHAL)

A

Next-Generation Instrumentations & Measurement in Space Exploration *(ANYL)

P

Women of Color in the Academy: Empirical Studies & Models of Success *(PROF)

A

P

Importance of LGBTQ+ Role Models & Mentors in Chemical Sciences: A Symposium in Honor of Barbara Belmont *(PROF)

Student-Organized Symposia: New Mass Spectrometry Methods for Polymer Analysis *(ANYL)

P

Student-Organized Symposia: Probing Biological Systems with Nonlinear Optics *(ANYL)

P

Journal of Polymer Science Innovation Award: Symposium in Honor of Rachel O’Reilly *(PMSE)

P

Women in Nanotechnology *(INOR)

D

TRiO & Chemistry *(PROF)

P

Student-Organized Symposia: Enabling Spectroscopies for Nanomaterial Applications: Energy Conversion to Therapeutics *(ANYL)

Broadening Participation in STEM: Empirical Studies & Models of Success *(PROF)

D

2018 Energy & Fuels Joint Award for Excellence in Publication: Symposium in honor of Fateme Rezaei *(ENFL)

P

Non-Traditional Careers in Chemistry *(CHAL)

D

A *Co-sponsored symposium with primary organizer shown in parenthesis; located with primary organizer. **Primary organizer of a cosponsored symposium. CIGE: Chemistry’s Impact on the Global Economy A = AM  AE = AM/EVE  D = AM/PM  DE = AM/PM/EVE  E = EVE P = PM  PE = PM/EVE NNB = Nanoscience, Nanotechnology & Beyond

69

TECHNICAL PROGRAM SUMMARY

S O CE D

Society Committee on Education

TECHNICAL PROGRAM

Technical Program

PRES

PRESIDENTIAL EVENTS P. Dorhout, Program Chair

SUNDAY MORNING SECTION A Boston Convention & Exhibition Center Room 103

Moving the Safety Values of the ACS Forward Cosponsored by AGFD, ANYL, BIOL, BMGT, CA, CARB, CCS, CHAS‡, CINF, COLL, CPT, ENFL, ENVR, I&EC, ORGN, PROF and SCHB J. M. Pickel, Organizer, Presiding 8:30 Introductory Remarks. 8:40 PRES 1. Safety in the context of the ACS Strategic Plan. R. Stuart 9:10 PRES 2. Promoting safety culture: chemical safety information initiatives. C.I. Nitsche 9:40 PRES 3. Communicating chemical safety. K.B. Jeskie 10:10 Intermission. 10:25 PRES 4. Developing student leadership skills in academic laboratory safety. K.A. Serrano 10:55 PRES 5. A step in the right direction. D. Mason 11:25 PRES 6. Talking safety: Why safety matters. J.L. Maclachlan 11:55 Concluding Remarks.

SUNDAY AFTERNOON SECTION A Boston Convention & Exhibition Center Room 103

Moving the Safety Values of the ACS Forward Cosponsored by AGFD, ANYL, BIOL, BMGT, CA, CARB, CCS, CHAS‡, CINF, COLL, CPT, ENFL, ENVR, I&EC, ORGN, PROF and SCHB J. M. Pickel, Organizer, Presiding 1:15 Introductory Remarks. 1:20 PRES 7. Developing an education path for all chemists. D.C. Finster 1:50 PRES 8. Building an ecosystem of chemical safety information. L.R. McEwen, R. Stuart 2:20 PRES 9. Green chemistry’s role in promoting safety. J.E. Wissinger 2:50 Panel Discussion. 3:20 Concluding Remarks.

Chemistry as a Second Language: Strategies for Global Scientific Communication Sponsored by YCC, Cosponsored by CPRC, IAC and PRES‡

Importance of LGBTQ+ Role Models & Mentors in Chemical Sciences: A Symposium in honor of Barbara Belmont Sponsored by PROF, Cosponsored by CMA, PRES‡ and WCC

Nanoscience, Nanotechnology & Beyond Opening Session Sponsored by MPPG, Cosponsored by PRES‡

MONDAY MORNING SECTION A Boston Convention & Exhibition Center Room 103

70

Ion Transport at the Nanoscale: Research & Capabilities at the DOE’s Nano Centers

Ion Transport at the Nanoscale: Research & Capabilities at the DOE’s Nano Centers

Cosponsored by ANYL, COLL, COMSCI, ENFL, ENVR, GEOC and SCHB H. Christen, A. L. Frischknecht, D. Prendergast, Organizers M. Chi, T. Rajh, D. Su, Organizers, Presiding 8:00 Introductory Remarks. 8:05 PRES 10. The need for fundamental understanding over multiple length scales: New applications demand new battery chemistries to achieve previously unrealized functionality. E.S. Takeuchi, K.J. Takeuchi, A.C. Marschilok 8:35 PRES 11. Molecular-scale understanding of the structure and dynamics of materials at electrified interfaces. D. Prendergast 8:50 PRES 12. Corralling electrons and ions in vanadium oxides: Tales from some rugged energy landscapes. S. Banerjee 9:20 PRES 13. Exploring chemical heterogeneities in alkali metal ion cathode materials. F. Lin 9:50 PRES 14. In situ study of ion ordering and transport by electron microscopy techniques. M. Liu, D. Su, J.T. Sadowski, 10:05 Intermission. 10:30 PRES 15. Enabling metallic Li anodes through solidstate electrolytes. J. Sakamoto 11:00 PRES 16. Emerging microscopy techniques for probing interfacial ion transport. M. Chi, N. Balke 11:15 PRES 17. The anode/electrolyte interface for magnesium batteries. T.S. Arthur 11:45 PRES 18. Defect-driven electrode materials for energy storage systems. H. Xiong

Cosponsored by ANYL, COLL, COMSCI, ENFL, ENVR, GEOC and SCHB M. Chi, H. Christen, T. Rajh, D. Su, Organizers A. L. Frischknecht, D. Prendergast, Organizers, Presiding 1:30 PRES 26. Unconventional computing with memristive devices and arrays. J. Yang 2:00 PRES 27. From lithium ion batteries to memristors – theory and modeling of ionic transport. M. Chan 2:15 PRES 28. NMR techniques to measure hydrophilic nanophase domain structure and water transport in polymer exchange membranes. T.M. Alam, E.G. Sorte, C. Fujimoto, A.L. Frischknecht 2:45 Intermission. 3:10 PRES 29. In situ investigation of dynamic transformations and mechanical degradation in battery materials. M. McDowell, M. Boebinger, N. Kondekar, F. Cortes, J. Lewis 3:40 PRES 30. Center for integrated nanotechnologies computational and experimental techniques for ion transport user science. K. Jungjohann, R. Dingreville, M.J. Stevens, A.L. Frischknecht 3:55 PRES 31. In-situ electrochemical S/TEM of lithium-ion batteries with Sn and Sn@TiO2 anodes. S. Goriparti, K.L. Harrison, K.L. Jungjohann 4:25 Concluding Remarks.

SECTION B Sheraton Boston Hotel Back Bay D

Growing with Project SEED: 50 years and 10,000+ Students Cosponsored by AGFD, AGRO, ANYL, BIOL, BMGT, CARB, CINF, COLL, ENFL, ENVR, HIST, I&EC, ORGN, PROF and SCHB J. J. Pak, Organizer D. L. Warner, Organizer, Presiding 8:30 Introductory Remarks. 8:35 PRES 19. Project SEED: An audacious experiment turns 50. M.S. Jacobs 8:55 PRES 20. Relationship. Relevance. Reach. T. Gray 9:15 PRES 21. Project SEED: From farm to pharma. K. Hunt 9:35 PRES 22. The SEED to a career in analytical chemistry. A. Norelus 9:55 Intermission. 10:05 PRES 23. The explosive impact of Project SEED. D.E. Chavez 10:25 PRES 24. Project SEED as a catalyst for careers in STEM. R. Sharma 10:45 PRES 25. Project SEED: The nucleus of my career. R. Aviles-Mercado 11:05 Panel Discussion: The Impact of Project SEED. 11:25 Concluding Remarks. P. Dorhout

Artificial Intelligence & its Impact on The Chemical Enterprise

Synthetic Biology: The State of the Science Sponsored by ENVR, Cosponsored by CEI‡, COMSCI and PRES

TUESDAY MORNING Advances in Human Space Exploration: Second ACS NASA Symposium Sponsored by PMSE, Cosponsored by PRES

TUESDAY AFTERNOON The Role of the Chemical Sciences in Brain Research & the BRAIN Initiative Sponsored by MPPG, Cosponsored by PRES

Advances in Human Space Exploration: Second ACS NASA Symposium Sponsored by PMSE, Cosponsored by PRES

MPPG

Multidisciplinary Program Planning Group P. Weiss, Program Chair

Sponsored by YCC, Cosponsored by BMGT and PRES‡

SUNDAY MORNING

Synthetic Biology: The State of the Science

SECTION B

Sponsored by ENVR, Cosponsored by CEI‡, COMSCI and PRES

Boston Convention & Exhibition Center Room 156A

MONDAY AFTERNOON SECTION A Boston Convention & Exhibition Center Room 103

Synthesis & Characterization of Nanomaterials for Sustainable Energy Cosponsored by INOR H. Fan, M. Knez, Organizers S. S. Wong, Organizer, Presiding 8:30 Introductory Remarks. 8:35 MPPG 1. Nano-metallurgical silicon - a novel energy material. R.B. Wehrspohn

Nanotechnology & Single Cell Analysis in Biology & Medicine: Next Frontier Sponsored by ANYL, Cosponsored by BIOL, COLL, MPPG and PHYS

SUNDAY AFTERNOON SECTION A Boston Convention & Exhibition Center Ballroom West

Nanoscience, Nanotechnology & Beyond Opening Session Cosponsored by PRES‡ P. S. Weiss, Organizer, Presiding 4:00 Introductory Remarks. 4:05 MPPG 7. 21st century medicine will transform healthcare: Opportunities for nanoscience and chemistry. L. Hood 4:55 Closing Remarks.

SECTION B Boston Convention & Exhibition Center Room 156A

Synthesis & Characterization of Nanomaterials for Sustainable Energy Cosponsored by INOR M. Knez, S. S. Wong, Organizers H. Fan, Organizer, Presiding 1:00 Introductory Remarks. 1:05 MPPG 8. Nanostructured conversion materials for next generation Li and Li-ion batteries. G. Yushin 1:35 MPPG 9. Benefits and challenges of nanomaterials in electrochemical energy storage systems: Insights gained from multiscale (molecular- to meso-scale) characterization and theory. A.C. Marschilok, K.J. Takeuchi, E.S. Takeuchi 2:05 MPPG 10. Advanced anode materials for highperformance potassium ion batteries. S. Guo 2:35 Intermission. 2:50 MPPG 11. A sulfur-limonene based electrode for lithium-sulfur batteries: High-performance by self-protection. Y. Yu 3:20 MPPG 12. Atomic/molecular layer deposited inorganic-organic thin-film structures for energy harvesting and storage. M. Karppinen 3:50 MPPG 13. Function-oriented nanostructured polymeric gels for sustainable energy. G. Yu

SECTION C Boston Convention & Exhibition Center Room 156B

Nanostructured Materials for Energy Harvesting & Storage J. Huang, M. S. Leite, M. T. McDowell, Organizers, Presiding 1:00 Introductory Remarks. 1:10 MPPG 14. Spectroscopic studies and coordinative interaction of Chitosan-azo dyes towards selected first row transition metals. O. Ejeromedoghene 1:30 MPPG 15. Spectroscopy of plasmonic Pd-Au alloy nanoparticle photocatalysts. R.J. Dillon, J.P. McClure, K.N. Grew, C.A. Lundgren 1:50 MPPG 16. A theoretical study on the mechanism of conductivity enhancement in PEDOT:PSS by solvent treatment. E. Yildirim, W. Gang, S. Yang 2:10 MPPG 17. Modulation of carrier type in nanocrystalin-matrix composites by interfacial doping. R. Sharma, A.M. Sawvel, D. Nordlund, A. Dong, R. Buonsanti, Z. Liu, J. Urban, D.J. Milliron 2:30 MPPG 18. Molecular dynamics investigation of behavior of ionic liquids under high applied pressure. S. Sharma, H. Kashyap

2:50 Intermission. 3:00 MPPG 19. Design of electronic nanodevices with the novel layered nanostructure MXene. S. Du 3:20 MPPG 20. Ultrastrong aramid nanofiber membranes for dendrite-proof and heat-resistant battery separators. M. Wang 3:40 MPPG 21. Partially reduced graphene oxide-TiO2 nanorods photocatalyst for degrading aqueous hazardous pollutants. T. Peng, J.A. Lalman, F. Arefi-Khonsari 4:00 MPPG 22. Carbon nanotube as a durable oxygen reduction electrode for proton exchange membrane fuel cell. D. Lee, H. Kim 4:20 Closing Remarks.

Nanotechnology & Single Cell Analysis in Biology & Medicine: Next Frontier Sponsored by ANYL, Cosponsored by BIOL, COLL, MPPG and PHYS

MONDAY MORNING SECTION A Boston Convention & Exhibition Center Room 156B

Synthesis & Characterization of Nanomaterials for Sustainable Energy H. Fan, S. S. Wong, Organizers M. Knez, Organizer, Presiding 8:30 Introductory Remarks. 8:35 MPPG 24. Synthesis and applications of novel twodimensional nanomaterials. H. Zhang 9:05 MPPG 25. Electronic and micromagnetic characterization of nanoferrites for sustainable energy applications. G. Papaefthymiou Davis, C. Lewis, A.L. Tiano, S.S. Wong 9:35 MPPG 26. Pervaporation separation of water – organic azeotropic mixtures using hydrophilic Poly (vinyl alcohol) nanocomposite membranes. T. Jose, S.C. George, S. Thomas 9:50 MPPG 27. Photocatalytic removal of NOx pollutants in flue gas: Fundamentals, applications and future. C. Yu, J. Wu, V. Nguyen, J. Lasek 10:05 Intermission. 10:20 MPPG 28. Interfacial chemistry as an enabling tool in the development of colloidal photo- and electro-catalysts. B.M. Cossairt, D. Henckel, D. Ung, T. Robison 10:50 MPPG 29. Flexible and conducting nanofibers functionalized with photoactive ZnO for advanced water treatment. G. Capilli, P. Calza, C. Minero, M. Cerruti 11:05 MPPG 30. Unraveling the electron transport and masking properties of g-C3N4 in Ni/Fe nanoparticle for enhanced TCE dechlorination. R. Sahu, R. Doong 11:20 MPPG 31. Synthesis and characterization of nanomaterials for sustainable energy applications. H. Cheng, H. Zhang 11:35 MPPG 32. Submonolayered Ru deposited on ultrathin Pd nanosheets used for enhanced catalytic applications. X. Cui, Z. Zhang, H. Zhang

SECTION A Boston Convention & Exhibition Center Room 258A

2018 C&EN Talented 12 B. Campos Seijo, L. Jarvis, Organizers L. K. Wolf, Organizer, Presiding 8:00 MPPG 23. 2018 C&EN Talented 12. L.K. Wolf

SECTION B Boston Convention & Exhibition Center Room 156A

Spotlight on Nanoscience, Nanotechnology & Beyond in the Journal of the American Chemical Society S. Krane, Organizer P. J. Stang, Presiding 8:30 Introductory Remarks. 8:35 MPPG 33. Bio-inspired nanochannels with superwettability. Y. Tian 9:10 MPPG 34. DNA nanostructures for cellular delivery of therapeutics. H.F. Sleiman 9:45 MPPG 35. Surface encoding of nanoparticles for selfassembly and plasmonic bioapplications. Y. Weizmann 10:20 MPPG 36. Skin-inspired organic bioelectronic. Z. Bao 10:55 MPPG 37. From molecules to dynamic molecular systems. B. Feringa

Nanotechnology & Single Cell Analysis in Biology & Medicine: Next Frontier Sponsored by ANYL, Cosponsored by BIOL, COLL, MPPG and PHYS

MONDAY AFTERNOON SECTION A Boston Convention & Exhibition Center Room 156B

Synthesis & Characterization of Nanomaterials for Sustainable Energy Cosponsored by INOR H. Fan, M. Knez, Organizers S. S. Wong, Organizer, Presiding 1:00 Introductory Remarks. 1:05 MPPG 38. Integrated micro-thermoelectric coolers by template assisted electrochemical deposition. H. Reith, N. Perez Rodriguez, G. Lee, G. Schierning, K. Nielsch 1:35 MPPG 39. Material characterizations by nanoscale X-ray imaging. Y. Chu, H. Yan, X. Huang, M. Ge, E. Nazaretski, N. Bouet, P. Ilinski 2:05 MPPG 40. Technique for characterization of buried interfaces at nanoscale. A. Dolocan 2:20 MPPG 41. In situ x-ray spectroscopy of nanocrystals undergoing cation exchange processes. R.W. Meulenberg 2:35 Intermission. 2:50 MPPG 42. Earth abundant and non-toxic FeS2 nanocrystals for photovoltaic and catalytic applications. C. Chen 3:05 MPPG 43. Domain size, layer number and morphology control for graphene by chemical vapour deposition. Z. Luo, I.H. Abidi, R. Xue 3:20 MPPG 44. Understanding the spontaneous out of plane growth of ReS2 and its application in energy harvesting. D. Ghoshal, A. Yoshimura, T. Gupta, A.N. House, Y. Chen, T. Wang, J. Hatchel, J. Idrobo, S. Basuray, S. Shi, N. Koratkar 3:35 MPPG 45. Biomimetic engineering of solid composite electrolytes for flexible, rechargeable zinc batteries. M. Wang, N. Kotov 3:50 MPPG 46. Bio-inspired controllable liquid transfer by topological asymmetric fibers. H. Liu, L. Jiang

SECTION B Boston Convention & Exhibition Center Room 156A

Future of Nanoscience, Nanotechnology & Beyond P. Alivisatos, H. Atwater, J. M. Buriak, L. E. Fernandez, C. Toro, Organizers P. S. Weiss, Presiding 1:00 Introductory Remarks. 1:05 MPPG 47. Opportunities for nanomaterials in storage applications: the importance of surfaces and interfaces. E. Reichmanis, Y. Kwon, K. Minnici 1:30 MPPG 48. Synthesizing renewable fuels and chemical feedstocks using nanomaterials. E. Sargent 1:55 MPPG 49. Ultrafast photoresponse of 2D materials. A. Sood 2:20 MPPG 50. Nanoelectronic tools for brain science. C.M. Lieber 2:45 MPPG 51. Reconfigurable plasmonics. T.W. Odom 3:10 MPPG 52. Towards predictable and deterministic synthesis of colloidal nanocrystals. Y. Xia 3:35 MPPG 53. Manipulating crystallization and assembly of nanomaterials via fluidic engineering. Y. Li, Y. Chen, H. Wang, Y. Li

Nanotechnology & Single Cell Analysis in Biology & Medicine: Next Frontier Sponsored by ANYL, Cosponsored by BIOL, COLL, MPPG and PHYS

MONDAY EVENING SECTION A Boston Convention & Exhibition Center Ballroom West

The Kavli Foundation Emerging Leader in Chemistry Lecture P. K. Dorhout, Organizer, Presiding 4:00 Introductory Remarks. 4:05 MPPG 54. Metal-ligand chemistry in nanoparticle synthesis and performance. J. Millstone 4:55 Q&A.

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TECHNICAL PROGRAM

9:05 MPPG 2. Design-rules for preparation of multicomponent metal chalcogenide nanostructures from sol-gel assembly: Optimizing heterogeneity and interfacial bonding for energy applications. I. Hewavitharana, J. Davis, S.L. Brock 9:35 MPPG 3. Designing hybrid nanostructures for energyrelated applications. D. Ma 10:05 Intermission. 10:20 MPPG 4. Nanometer contact layers determining the photovoltage of perovskite solar cells. J. Bisquert 10:50 MPPG 5. Shining a light on ultra-stability in nanomaterials for energy-efficient solid-state lighting. J.A. Hollingsworth 11:20 MPPG 6. Template nanostructuring for energy conversion and storage devices. Y. Lei

TECHNICAL PROGRAM

MPPG/AGFD SECTION A Boston Convention & Exhibition Center Ballroom West

The Fred Kavli Innovations in Chemistry Lecture P. K. Dorhout, Organizer, Presiding 5:15 Introductory Remarks. 5:20 MPPG 55. Light as fuel. H. Atwater 6:10 Concluding Remarks.

TUESDAY MORNING SECTION A Boston Convention & Exhibition Center Room 156B

Nanophotonics J. H. Hafner, N. J. Halas, P. J. Nordlander, Organizers, Presiding 8:30 Introductory Remarks. 8:35 MPPG 56. Plasmon enhanced photocatalysis. P.J. Nordlander 9:05 Q&A. 9:10 MPPG 57. Elucidating plasmon resonances using quantum mechanical methods. C.M. Aikens 9:40 Q&A. 9:45 MPPG 58. Acousto-plasmonic interaction: From Fermi golden rule to Raman energy density. N. Large 10:15 Q&A. 10:20 MPPG 59. Nonlinear-like optics in liquid suspensions of two-dimensional nanomaterials. J. Bao 10:50 Q&A. 10:55 MPPG 60. Lattice plasmon laser modeling. D. Wang, W. Wang, D.J. Trivedi, T.W. Odom, G.C. Schatz 11:25 Q&A. 11:30 MPPG 61. Designer 2D metals and Weyl semimetals for zero-loss photonics. P. Narang 12:00 Q&A. 12:05 Closing Remarks.

SECTION B Boston Convention & Exhibition Center Room 156A

ACS Nano Lectureship Award L. E. Fernandez, Organizer P. S. Weiss, Presiding 8:30 Introductory Remarks. 8:40 MPPG 62. Metallic nanoislands on graphene as sensors for measuring cell stiffness and electrophysiology. D.J. Lipomi 9:20 MPPG 63. Nano materials for skin-inspired electronics. Z. Bao 10:00 MPPG 64. Ten years of liquid phase exfoliation: Making nanosheets for applications in energy, sensing and electronics. J.N. Coleman 10:40 MPPG 65. Investigation of etching behavior of singlewalled carbon nanotubes using different etchants. J. Zhang 11:20 MPPG 66. The adventure with graphene: From science to industry. Z. Liu 12:00 Closing Remarks.

SECTION C Boston Convention & Exhibition Center Room 103

Nanoscience & Nanotechnology in Neuroscience & the BRAIN Initiative A. M. Andrews, Organizer, Presiding 9:00 Introductory Remarks. 9:05 MPPG 67. Fabrication of aptamer field-effect transistor microprobes towards In vivo neurotransmitter detection. C. Zhao, I. Huang, N. Nakatsuka, P.S. Weiss, H.G. Monbouquette, A.M. Andrews 9:25 MPPG 68. Generation of a compact quantum dot conjugate for single molecule imaging of dopamine transporters in acute brain slices. L.B. Thal, V.R. Mann, D. Sprinzen, B.E. Cohen, D.G. McMahon, S.J. Rosenthal 9:45 MPPG 69. Chemistries to repurpose Feraheme as multifunctional nanoparticles for cell labeling. H. Yuan, M.Q. Wilks, B. Cortese, A. Jones, G. El Fakhri, L. Josephson, M.D. Normandin 10:05 Intermission. 10:20 MPPG 70. Mechanistic investigations of stem-loop aptamer field-effect transistors. N. Nakatsuka, K. Yang, K.M. Cheung, J.M. Abendroth, X. Xu, C. Zhao, P.S. Weiss, M. Stojanovic, A.M. Andrews

72

10:40 MPPG 71. Antibody recruiting polymers as a tumor immunotherapeutic targeting strategy. A. Rullo

SECTION D Boston Convention & Exhibition Center Room 109B

Nano in Tissue Engineering A. Khademhosseini, M. Stevens, Organizers S. Shin, Presiding 9:00 Introductory Remarks. 9:10 MPPG 72. Nanomedicine in a world of immunotherapy. S. Sengupta 9:40 MPPG 73. Tools for accelerated medical innovation. J. Karp 10:10 MPPG 74. Molecular programming with DNA/ RNA. P.L. Yin 10:40 MPPG 75. From energy harvesting to living plants Concepts in biosensing and energy conversion using carbon nanomaterials. M. Strano 11:10 Concluding Remarks.

Recent Developments in the Protection of Nanotechnology-Related Intellectual Property

The Role of the Chemical Sciences in Brain Research & the BRAIN Initiative Cosponsored by PRES A. C. Collins, M. M. Kirchhoff, Organizers J. V. Sweedler, Organizer, Presiding 1:30 Introductory Remarks. 1:35 MPPG 87. Nanoscience and nanotechnology and the NIH BRAIN Initiative. W. Koroshetz 2:05 MPPG 88. Electrophysiology: Unplugged. Using chemistry to watch the brain in action. E. Miller 2:35 MPPG 89. The single cell chemical characterization of the cells in the brain. J.V. Sweedler 3:05 Intermission. 3:15 MPPG 90. Novel perspectives on psychiatric diseases with microengineered, electrochemical detection platforms. P. Hashemi 3:45 MPPG 91. Transcriptome variability and theories of phenotype – Multimodal subcellular genomics. J. Eberwome, J. Kim 4:15 MPPG 92. Neuron-like electronics: A new paradigm for noninvasive brain probes. C.M. Lieber

Sponsored by CHAL, Cosponsored by MPPG

WEDNESDAY MORNING

TUESDAY AFTERNOON

SECTION A

SECTION A

Boston Convention & Exhibition Center Room 156B

Boston Convention & Exhibition Center Room 156B

Nanophotonics

Patterson-Crane Award Symposium S. Trohalaki, P. S. Weiss, Organizers, Presiding 1:00 Introductory Remarks. 1:10 MPPG 76. Communicating opportunities in nanoscience and nanotechnology. P.S. Weiss 1:45 Discussion. 1:50 MPPG 77. What does an ACS editor do, in 2018? Much more than ‘just’ editing. J.M. Buriak 2:25 Discussion. 2:30 MPPG 78. Treating molecular nanotechnology to show and tell. J.F. Stoddart 3:05 Discussion. 3:10 MPPG 79. Communicating science, especially nanoscience, to and from the federal government: A personal perspective. L.J. Whitman 3:45 Discussion. 3:50 MPPG 80. Telling stories. G.M. Whitesides 4:25 Discussion. 4:30 Closing Remarks.

SECTION B Boston Convention & Exhibition Center Room 156A

Nanophotonics J. H. Hafner, N. J. Halas, P. J. Nordlander, Organizers, Presiding 1:00 Introductory Remarks. 1:05 MPPG 81. Understanding the mechanism of plasmonic photocatalysis with ultrafast surface-enhanced Raman spectroscopy. E.L. Keller, J.L. Brooks, R.R. Frontiera 1:35 Q&A. 1:40 MPPG 82. Strong coupling between single quantum dots and plasmon resonances: From Fano interference to Rabi splitting. M. Pelton 2:10 Q&A. 2:15 MPPG 83. Anisotropic plasmonic light scattering. J. Wang 2:45 Q&A. 2:50 MPPG 84. Single molecule imaging using atomistic near-field tip-enhanced Raman spectroscopy. L. Jensen 3:20 Q&A. 3:25 MPPG 85. Coherent plasmon dynamics from ultrafast correlated light and electron microscopy (UCLEM). K.L. Knappenberger 3:55 Q&A. 4:00 MPPG 86. Carrier dynamics in plasmonic nanostructures. S. Link 4:30 Q&A. 4:35 Closing Remarks.

SECTION C Boston Convention & Exhibition Center Room 103

J. H. Hafner, N. J. Halas, P. J. Nordlander, Organizers, Presiding 8:30 Introductory Remarks. 8:35 MPPG 93. Unusual molecular vibrational excitation induced by gap-plasmons. Z. Kim 9:05 Q&A. 9:10 MPPG 94. Surface plasmon-mediated chemical vapor deposition of palladium nanoparticles for photothermal catalysis. W. Wei 9:40 Q&A. 9:45 MPPG 95. Spatial and temporal coherence of ultrafast plasmon nanolasers. T.W. Odom 10:15 Q&A. 10:20 MPPG 96. Optimizing the hybridization between localized surface plasmons and photonic cavity modes in a photothermal absorption spectrometer. D.J. Masiello 10:50 Q&A. 10:55 MPPG 97. In Situ spectroscopy of photocatalytic and plasmon resonant nanostructures. S. Cronin 11:25 Q&A. 11:30 MPPG 98. Mini gold nanorods and their plasmonic properties. C.J. Murphy 12:00 Q&A. 12:05 Closing Remarks.

WEDNESDAY AFTERNOON SECTION A Boston Convention & Exhibition Center Room 156B

Nanophotonics J. H. Hafner, N. J. Halas, P. J. Nordlander, Organizers, Presiding 1:00 Introductory Remarks. 1:05 MPPG 99. Time-dependent electronic structure methods for plasmon-molecule interactions. A.E. DePrince 1:35 Q&A. 1:40 MPPG 100. Single nanoelectrode photodissolution. C.F. Landes, S. Link 2:10 Q&A. 2:15 MPPG 101. Antenna-reactor complexes for plasmonic photocatalysis. N.J. Halas 2:45 Q&A. 2:50 MPPG 102. Nanophotonic approaches to observe and control atomic and molecular processes. J. Dionne 3:20 Q&A. 3:25 MPPG 103. Quantifying plasmonic field enhancement and ultrasensitive displacement sensing by plasmonic nanogap. H. Xu 3:55 Q&A. 4:00 Closing Remarks.

SECTION A Boston Convention & Exhibition Center Room 156B

New Advances in 3D Nanoprinting Financially supported by Gordon & Betty Moore Foundation A. Khademhosseini, Organizer G. Liu, Organizer, Presiding J. Belak, Presiding 8:30 Introductory Remarks. 8:40 MPPG 104. Quantification of particle concentrations in ultra-pure liquid samples. J. Nadeau, M. Bedrossian, C. Lindensmith, C. Barr 9:05 Discussion. 9:10 MPPG 105. Three-dimensional nanoprinting using continuous assembly of polymers via ring-opening metathesis polymerisation. T. Pattison, G. Liu 9:25 Discussion. 9:30 MPPG 106. Development of methods for hierarchical self-assembly at the nanoscale. C.L. Berrie, S.B. Ulapane, N.J. Kamathewatta, A.K. Borkowski, S. Steuart 9:55 Discussion. 10:00 Intermission. 10:15 MPPG 107. Fast and smart atomic force microscopy for 3D nanoprinting. D. Hanna 10:40 Discussion. 10:45 MPPG 108. New algorithm to enable construction and display of 3D structures from scanning probe microscopy images acquired layer-by-layer. S. Wang, G. Liu 11:00 Discussion. 11:05 MPPG 109. Pinpoint additive manufacturing of complex 3D micro structures of pure metal. P. Doerig 11:30 Discussion. 11:35 MPPG 110. Recreating human physiology on a chip: A tale of microreactors, 3D printed tissues and real-time biosensors. A. Khademhosseini 12:00 Discussion. 12:05 Closing Remarks.

THURSDAY AFTERNOON SECTION A Boston Convention & Exhibition Center Room 159

New Advances in 3D Nanoprinting Financially supported by Gordon & Betty Moore Foundation G. Liu, Organizer A. Khademhosseini, Organizer, Presiding C. L. Berrie, Presiding 1:00 Introductory Remarks. 1:10 MPPG 111. Nanoscale light-based 3D bioprinting: An enabling technology for regenerative medicine. S. Chen 1:35 Discussion. 1:40 MPPG 112. 3D nanoprinting of star polymers. J. Zhang, V.A. Piunova, A. Tek, Y. Liu, J. Frommer, J. Sly, G. Liu 1:55 Discussion. 2:00 MPPG 113. The extension and application of the exascale additive manufacturing tools to 3D nanoprinting. J. Belak, J. Turner, C. Bronkhorst 2:25 Discussion. 2:30 Intermission. 2:45 MPPG 114. Additive manufacaturing and architected materials: From the nanoscale to the macroscale. C. Spadaccini 3:10 Discussion. 3:15 MPPG 115. Regio-selective and density-controlled activation of interfacial mechanophores for fabrication of complex structures. A. Sulkanen, J. Sung, M.J. Robb, J. Moore, N.R. Sottos, G. Liu 3:30 Discussion. 3:35 MPPG 116. Gold nanorods and cells in 3D. C.J. Murphy 4:00 Discussion. 4:05 MPPG 117. Investigating the properties of nanostructured surfaces by second order nonlinear spectroscopy. N. Ge 4:30 Discussion. 4:35 Closing Remarks.

AGFD

Division of Agricultural and Food Chemistry X. Fan, Program Chair OTHER SYMPOSIA OF INTEREST: Ask Dr. Safety: Safety Considerations in the Cannabis Industry (see CHAS, Sun) Uses of Mass Spectrometry in Agricultural Research & Development: New Trends & Best Practices (see AGRO, Mon, Wed) Agricultural Based Natural Products as Biorational Pesticides (see AGRO, Tue, Wed) Chiral Agrochemicals: Analytical Advances & Regulatory Trends (see AGRO, Tue, Wed) SOCIAL EVENTS: Awards Banquet, 5:30 PM: Tue BUSINESS MEETINGS: Business Meeting, 12:15 PM: Tue

SUNDAY MORNING SECTION A Boston Convention & Exhibition Center Room 107B

Functional Foods Their Novel Biofunctions & Underlying Mechanisms Cosponsored by AGRO Financially supported by Japanese Society for Food Factors D. Hou, A. Murakami, J. Terao, Organizers, Presiding 8:00 Introductory Remarks. 8:05 AGFD 1. Potato peels: Chemistry, health benefits, and functional properties in human foods and animal feeds. M. Friedman 8:25 AGFD 2. Management of lung disease by tomato, lycopene. A. Koichi 8:45 AGFD 3. Effects of ginger extract on TMAO-induced atherogenesis. Z. He, Z. Chen 9:05 AGFD 4. Curcumin as a functional food-derived factor: Highly dispersible and bioavailable curcumin but not native curcumin effectively induces brown-like adipocyte formation in mice. T. Tsuda 9:25 AGFD 5. Prebiotics and antibiotics affect isoflavone metabolism and bone loss. M. Uehara, S. Fujii, H. Inoue, R. Katsumata-Tsuboi, N. Takahashi 9:45 Intermission. 10:00 AGFD 6. Hormesis: Adaptive responses in biology and medicine with applications to the emerging field of functional foods. E.J. Calabrese 10:20 AGFD 7. Stress-mediated mechanisms underlying bioactivities of phytochemicals. A. Murakami, A. Ishisaka, S. Tanioka, R. Sugimoto, M. Fujimoto 10:40 AGFD 8. The interaction between brain activation and peripheral physiological alteration following ingestion of flavan 3-ols. N. Osakabe 11:00 AGFD 9. Gastrointestinal health and functional foods. C. Wang 11:20 AGFD 10. Flavonoids enhance in vitro antiinflammatory activity of bifidobacteria by inducing the secretion of a small active molecule. K. Kawabata, N. Baba, T. Sakano, Y. Hamano, S. Taira, A. Tamura, S. Baba, M. Natsume, T. Ishii, S. Murakami, H. Ohigashi

SECTION B Boston Convention & Exhibition Center Room 107C

MCPD & Glycidyl Fatty Acid Esters M. Granvogl, S. MacMahon, Organizers, Presiding 8:00 Introductory Remarks. 8:05 AGFD 11. Current research at the U.S. Food and Drug Administration related to the analysis of MCPD and glycidyl esters in refined oils and processed foods. J.K. Beekman, K. Grassi, S. MacMahon, J. Kuhlmann, A. Becalski, G. Jaudzems, F. Robert 8:35 AGFD 12. Detection limits and challenges in low level analysis of MCPD and glycidol using AOCS method Cd 29c13. K.J. Adlaf, M. Collison

9:05 AGFD 13. Determination of the food-borne contaminants 3-MCPD, 2-MCPD and glycidol in compound foods based on a new extraction approach and GC-MS measurement. J. Kuhlmann 9:35 AGFD 14. MCPD in fried and smoked fishery products. J. Fritsche, S. Merkle, U. Ostermeyer 10:05 Intermission. 10:20 AGFD 15. MCPD and glycidyl fatty acid esters: Molecular mechanisms of toxicity and new human exposure marker for biomonitoring. A. Braeuning, T. Buhrke, K. Schultrich, B. Monien, K. Abraham, A. Lampen 10:50 AGFD 16. Absorption and metabolism of 3 MCPD 1 monopalmitate after oral administration in rats. B. Gao, M. Liu, G. Huang, J. Liu, L.L. Yu 11:20 AGFD 17. MCPD and GE: Bridging toxicological risk assessment and regulatory management. P. Hanlon

SECTION C Boston Convention & Exhibition Center Room 108

Bioactives & Neurodegenerative Diseases Cosponsored by MEDI H. Ma, N. P. Seeram, Organizers, Presiding 8:00 Introductory Remarks. 8:10 AGFD 18. Epigenetic modulation of inflammation and synaptic plasticity promotes resilience against stress in mice. J. Wang, G. Pasinetti 8:50 AGFD 19. Surface plasmon resonance and related biophysical techniques for the studies of amyloid peptide and protein aggregation and the Inhibition of aggregation by natural products. X. Wang, H. Li, H. Ma, N.P. Seeram, F. Zhou 9:30 Intermission. 9:45 AGFD 20. Olive-derived oleocanthal as a novel natural product to restore brain function in AD mouse models. A. Kaddoumi 10:25 AGFD 21. Berry polyphenols are associated with enhanced cognition and reduced inflammation in healthy, older adults. B. Shukitt-Hale, M.G. Miller, D.R. Fisher, D.F. Bielinski, T.M. Scott 11:05 Concluding Remarks.

SECTION D Boston Convention & Exhibition Center Room 109A

Health Promoting Food Ingredients A. M. Rimando, Organizer C. Osorio Roa, Organizer, Presiding 8:00 Introductory Remarks. 8:05 AGFD 22. Polyphenols: The source of bioactives in plant foods for heart disease protection. J.A. Vinson 8:30 AGFD 23. Soluble and insoluble-bound food phenolics and phenolic derivatives. F. Shahidi, J. Yeo 8:55 AGFD 24. Berry fruit differentially improves agerelated decrements in behavior based on baseline status. B. Shukitt-Hale, M.G. Miller, D.F. Bielinski, D.R. Fisher 9:20 AGFD 25. Dietary polyphenols retard acrolein exposure in in vivo studies. Y. Zhu, Q. Huang, L. Lv, S. Sang 9:45 Intermission. 9:55 AGFD 26. The impact of polyphenol rich food on bacterially derived metabolites. C.O. Chen 10:20 AGFD 27. Gut microbiota-mediated biotransformation of food components: The key for their biological functions. Z. Li, F. Li, Q. Wang, H. Xiao 10:45 AGFD 28. The effect of gut microbiota fermentation on cocoa powders receiving various treatments. J.W. Finley, Z. Li, M. Janes 11:10 AGFD 29. Microbiota diversity in an in vitro system digestion with different processed cocoa powders. M. Janes, M. Escoto, J. Brandao, Z. Li, J.W. Finley 11:35 AGFD 30. The use of meat extenders (white button mushrooms vs textured soy) in beef patties for to improve health. A.J. Kinchla

Moving the Safety Values of the ACS Forward Sponsored by PRES, Cosponsored by AGFD, ANYL, BIOL, BMGT, CA, CARB, CCS, CHAS‡, CINF, COLL, CPT, ENFL, ENVR, I&EC, ORGN, PROF and SCHB

Around the World with Pesticide Maximum Residue Levels Sponsored by AGRO, Cosponsored by AGFD

SUNDAY AFTERNOON SECTION A Boston Convention & Exhibition Center Room 107B

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TECHNICAL PROGRAM

THURSDAY MORNING

TECHNICAL PROGRAM

AGFD Functional Foods Their Novel Biofunctions & Underlying Mechanisms Cosponsored by AGRO Financially supported by Japanese Society for Food Factors D. Hou, A. Murakami, J. Terao, Organizers, Presiding 1:00 Introductory Remarks. 1:05 AGFD 31. Anti-thrombotic effect of garlic attributes inhibition of platelet function and coagulation pathway by allyl sulfide. T. Seki, T. Hosono, Y. Ozaki-Masuzawa 1:25 AGFD 32. Involvement of the phosphatidylinositide 3-kinase pathway in the resistant mechanisms against benzyl isothiocyanate in human colorectal cancer cells. Y. Nakamura 1:45 AGFD 33. New molecular target, calcium-sensing receptor (CaSR) toward to improving gastrointestinal health. Y. Mine 2:05 AGFD 34. The preventive effects and molecular mechanisms of berry polyphenols in experimental nonalcoholic steatohepatitis (NASH). D. Hou 2:25 AGFD 35. Biological activity of carotenoids and their metabolites. X. Wang 2:45 Intermission. 3:00 AGFD 36. The impact of activating almonds on D-myoinositol phosphate and mineral bioavailability. A.E. Mitchell, L. Lee 3:20 AGFD 37. Anti-inflammatory mechanisms of dietary flavonoids linked with phase-II conjugation and macrophagemediated metabolic conversions. Y. Kawai 3:40 AGFD 38. Incorporation of protein arrays into functional food research. R. Huang, H. Zhang, W. Huang, V.S. Jones, Y. Mao, J. Wilson 4:00 AGFD 39. Metabolic innovations for functional foods integrating redox biology and microbiome-induced bioprocessing. K. Shetty 4:20 AGFD 40. Hazards in foods: Natural antimicrobials to control foodborne pathogens. S. Garcia, N. Heredia 4:40 Concluding Remarks.

SECTION B Boston Convention & Exhibition Center Room 107C

MCPD & Glycidyl Fatty Acid Esters M. Granvogl, S. MacMahon, Organizers, Presiding 1:00 Introductory Remarks. 1:05 AGFD 41. Stability of food contaminants 3-MCPD-, 2-MCPD- and glycidyl fatty acid esters in different foods during long-term storage. J. Kuhlmann 1:35 AGFD 42. Occurrence of MCPD and glycidyl esters in human breast milk. B. Belkova 2:05 AGFD 43. Influence of industrial process on 3-MCPD esters and glycidyl esters in finished products. M. Le Breton, G. Jaudzems, F. Robert 2:35 Intermission. 2:50 AGFD 44. Results of experiments to reduce MCPD and glycidyl esters in edible fats and oils by ionic liquid treatment. F. Pudel, J. Heymann, B. Matthäus, K. Vosmann 3:20 AGFD 45. Organochlorines as the most significant precursors of 3-MCPD esters in Palm Oil: Investigation into their occurrence in a range of vegetable oils, structures and mechanism of formation. S. Tiong, N. Saparin, A. Nair, I. Berg, H. de Vette, M. Putri Ahmad Sabri, H. Teh, T. Ng, D. Adan, M. bin Md. Zain, B. Neoh, A. Md Noor, O. Lai, C. Tan, D. Appleton 3:50 AGFD 46. Effect of double washing of bleached palm oil on the formation of 3-MCPD, 2-MCPD and glycidyl esters. W.C. Silva, A.P. Arisseto, K.A. Sampaio, R.A. Ferrari, E. Vicente 4:20 AGFD 47. MCPD - public health implications. R. Clemens, P. Pressman

SECTION C Boston Convention & Exhibition Center Room 108

Bioactives & Neurodegenerative Diseases Cosponsored by MEDI H. Ma, N. P. Seeram, Organizers, Presiding 1:00 Introductory Remarks. 1:05 AGFD 48. In Vivo neuroprotective effects of Cannabis spp. bioactives in C. elegans and D. melanogaster. H. Park, M. Homan, D. Vattem 1:45 AGFD 49. Development of a general amyloid inhibitor against the aggregation and toxicity of both amyloid-β and hIAPP. J. Zheng 2:25 Intermission.

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2:40 AGFD 50. Neuroprotective effects of Mucuna pruriens seed extract against Parkinson’s disease in microglia and neuroblastoma cells, Caenorhabditis elegans, and Drosophila melanogaster. S. Johnson, H. Park, N. DaSilva, D. Vattem, H. Ma, N.P. Seeram 3:20 AGFD 51. The ability of berries to mitigate the effects of high fat diet on brain and behavior. A. Carey 4:00 Concluding Remarks.

SECTION D Boston Convention & Exhibition Center Room 109A

Health Promoting Food Ingredients C. Osorio Roa, Organizer A. M. Rimando, Organizer, Presiding 1:00 Introductory Remarks. 1:05 AGFD 52. Understanding bioactives in food through the analysis of human milk. C.B. Lebrilla 1:30 AGFD 53. Pomegranate fruit juice, dietary supplements and extracts rich in ellagitannins also provide a significant content of a wide range of proanthocyanidins. F. Tomas-Barberan, H. Díaz-Mula, R. García-Villalba 1:55 AGFD 54. Avenanthramides from commercial oat bran in the United States. Y. Tang, W. Wu, J. Yang, E. Idehen, S. Sang 2:20 AGFD 55. LC-ESI-MS characterization of the components of four varieties of blackcurrants (Ribes nigrum), grown in Illinois and Wisconsin after water-based sonication extraction and their inhibitory effects on α-amylase. R.E. Cortez, M.A. Berhow, E.G. Demejia 2:45 Intermission. 2:55 AGFD 56. Combination effects and molecular targets of apple peel powder and selected bioactive compounds on antiproliferative activity in human breast cancer cells in vitro. R.H. Liu 3:20 AGFD 57. Food bioactives that can extend lifespan in Caenorhabditis elegans. Y. Park, P. Shen, Y. Yue, Y. Peng, Y. Xu, K. Kim 3:45 AGFD 58. Dietary intake of mildly oxidized fat increases colonic inflammation and colitis-associated colon tumorigenesis through activation of Toll-like receptor 4 (TLR4) signaling. G. Zhang 4:10 AGFD 59. Current evidence of beneficial effects of anthocyanins from colored corn in in vitro models of obesity and diabetes. D.A. Luna, E.G. Demejia 4:35 AGFD 60. In vitro bile acid binding capacities of selected vegetables to improve human health. I. F.Y., G.K. Jayaprakasha, B. Patil

Moving the Safety Values of the ACS Forward Sponsored by PRES, Cosponsored by AGFD, ANYL, BIOL, BMGT, CA, CARB, CCS, CHAS‡, CINF, COLL, CPT, ENFL, ENVR, I&EC, ORGN, PROF and SCHB

Around the World with Pesticide Maximum Residue Levels Sponsored by AGRO, Cosponsored by AGFD

SUNDAY EVENING SECTION A Boston Convention & Exhibition Center Exhibit Hall B2/C

Chemistry, Flavor & Health Effects of Teas Cosponsored by AGRO C. Ho, D. Li, X. Wan, Y. Wang, Z. Zhang, Organizers 5:30 – 7:30 AGFD 61. The CsRHMs encoding a UDP-rhamnose synthase is required for the development of cell wall. X. Dai AGFD 62. Influence of media supplements on inhibition of oxidative browning and bacterial endophytes of Camellia sinensis var. sinensis. S. Wei AGFD 63. Polyphenolic chemistry of tea. S. Feng, Y. Wang, C. Ho AGFD 64. From leaf to tea: The impact of six typical processing methods on the tea chemical profiling. Y. Wang, Z. Kan, T. Ling, J. Ning, D. Li, X. Wan AGFD 65. Extraction methods of volatile compounds isolated from dried Omija with different drying condition. M. Park, S. Yang, M. Park, K.G. Lee AGFD 66. Formation of α-dicarbonyl compounds in caramel model system with different ammonium hydroxide concentration. J. Kwon, S. Kim, K.G. Lee AGFD 67. Quantification of ascorbyl adducts of epigallocatechin gallate and gallocatechin gallate in bottled tea beverages. W. Hung, S.S. Wang, S. Sang, X. Wan, Y. Wang, C. Ho

AGFD 68. (-)-epigallocatechin-3-gallate enhances cytotoxic effect of melatonin in cancer cells with diverged p21 response to melatonin. J. Zhang, C. Yang, L. Zhang AGFD 69. Potential role of tea consumption on circadian rhythm. M. Qing, C. Ho AGFD 70. Anti-Parkinsonian effects of β-amyrin of tea seed oil from Camellia tenuifolia in Caenorhabditis elegans. C. Wei, C. Ho, V. Liao AGFD 71. Phytochemical profiles and antioxidant, antiproliferative and anti-inflammatory activities in sea buckthorn leaf. R. Guo, X. Guo, R.H. Liu, C. Ho AGFD 72. Suppression of cancer cell growth and migration by regulating Met/EGFR/VEGFR-Akt/NF-ĸB pathways with theanine and its derivatives. G. Zhang, Y. Zhang, S. Zhou, B. Wu, X. Wan

SECTION A Boston Convention & Exhibition Center Exhibit Hall B2/C

Diet, Health & Gut Microbiome Cosponsored by AGRO, BIOL, CARB and CELL I. Edirisinghe, C. Lai, L. Liu, S. Sang, F. Tomas-Barberan, L. L. Yu, Organizers 5:30 – 7:30 AGFD 73. Enterococcus faecalis FK-23 may improve the bactericidal activity of human neutrophil via enhancing ROS production and phagocytosis. H. Ichikawa, K. Kobayashi, Y. Minamiyama AGFD 74. Properties of Shikwasa (Citrus depressa) juice to improve lipid metabolism. R. Takeda, M. Matayoshi, A. Sawabe AGFD 75. Impact of dietary fiber from sweet potato fermented in vitro on the diversity of gut microbiota. X. Li, J. Tian, M. Liu AGFD 76. Assembly of mock microbial community for testing engineered microorganisms persistence and function. S. Arcidiacono, L.A. Doherty, J. Whitman, J.W. Soares AGFD 77. Development of an in vitro fermentation model of the small intestine. L.A. Doherty, J. Whitman, S. Arcidiacono, K.R. Conca, J.W. Soares AGFD 78. Choline kinase is a drug a target for Staphylococcus aureus. T. Zimmerman, S. Ibrahim

SECTION A Boston Convention & Exhibition Center Exhibit Hall B2/C

General Posters X. Fan, Organizer 5:30 – 7:30 AGFD 79. Fabrication and in vitro study of vitamin D nanodelivery system using Caco-2 cells: Applications in food and health. N. Walia, L. Chen AGFD 80. Effect of quercetin on the inhibition of CYR61mediated multidrug resistance in human adenocarcinoma AGS cells. S.K. Cho AGFD 81. Influence of storage temperature and duration on lipid oxidation in frozen dough. W. Zhao, J. Xu, X. Xu AGFD 82. Anthocyanin in purple carrot (Daucus carota L.): Their structures and effect for blood flow. A. Tsutsumi, Y. Horikoshi, A. Saito, R. Koizumi, Q. Hu, A. Koichi, N. Osakabe AGFD 83. Stress response in hypothalamic paraventricular nucleus (PVN) after a single dose of procyanidin supplementation. Y. Fujii, S. Kenta, H. Yahiro, K. Ai, N. Osakabe AGFD 84. Fingerprinting white wines with excitationemission matrix fluorescence. J.F. Hauri, B.K. Niece AGFD 85. Investigation of phenolic phytochemicals in Maine-grown plums. H. Hwang, R. Fort, R. Moran, A. Myracle, B.W. Cole AGFD 86. Determination of key volatile compounds related to sensory quality of Doenjang, a fermented soybean paste, using non-targeted and descriptive analyses. S.A. Kim, Y. Kim, I. Cho, S. Lee AGFD 87. Discoloration preventive agents of food and antiaging effects of the constituents in the seed of Foeniculum vulgare. A. Yamash*ta, A. Sawabe AGFD 88. Optimization by response surface methodology of phenolic compounds extraction from chaga (inonotus obliquus) using accelerated solvent extraction. W. Alhallaf, B. Perkins AGFD 89. Two main foliar diseases caused by Colletotrichum and Pestalotiopsis-like species on Camellia sinensis in China. Y. Chen, H. Tong AGFD 90. Establishment of a system for screening food factors inhibiting the absorption of Cs in intestine. M. Yasuda-Torii, C. Tokuyama, Y. Kobayashi, S. sh*tasue, S. Karaki, K. Shimoi

AGFD 118. Regional variations in essential oils components, antioxidant capacities, and antifungal activities of Piper nigrum L in China. C. Zhang, M. Liu, J. Tian AGFD 119. Encapsulating curcumin into bilayer nanoparticle by coaxial electrospraying. S. Tsai, Y. Ting, J. Wu AGFD 120. Quality evaluation of crustaceans using chemical analyses due to their freshness. D. Hong, E. Jung, S. Kim, S. Kim, Y. Lee AGFD 121. Increasing ῳ-3 fatty acid, α-tocopherol and acetic acid contents in fresh lamb by feeing entrapped fish oil, DL-α-tocopheryl acetate and L-acetic acid in a chemically treated protein matrix. C. Jeanjulien, J. Lee, S. Wildeus, A. Discua, D. Kafle AGFD 122. Chemistry of, and attitudes toward, artisanal food. C.T. Cirne, M.H. Tunick, R.E. Trout AGFD 123. Inhibition of Streptococcus and Enterococcus biofilms by cranberry bioactives. R. Magina, G. O’Brien, F.J. Scarano, C.C. Neto AGFD 124. The role of heat treatment on the chemistry of light oxidation flavor in fluid milk. W. Harwood, B. Carter, A. Schiano, M. Drake AGFD 125. Changes in peracetic acid based sanitizer systems under the influence of different storage temperatures and organic load. T. Ghostlaw, F. Martens, W. Autio, M. Corradini, A.J. Kinchla AGFD 126. Assessing the stability of glucoraphanin [by measurement of sulforaphane] in model food systems supplemented with broccoli powder. K. Kensil, K.R. Conca, T. Ndou, S. Fales AGFD 127. Trends of decreasing amino acids in food formulations with varying sugar and fat levels after storage and in-vitro digestion. K.R. Conca, K. Kensil AGFD 128. Neuronal protection effects of blueberries. P. Samani, R. Pacheco, S. Cai AGFD 129. Total carbohydrate composition of different molecular weight fractions in red wine. L. Ring, E. Tomasino, J. Osborne, M.C. Qian AGFD 130. Application of high-pressure processing for effective utilization of insoluble polymeric compounds in soy sauce lees. Y. Murabayashi, Y. Watanabe AGFD 131. Browning inhibition of fresh-cut “Granny Smith” apples and Listeria monocytogenes inactivation by the combinations of citric acid, ascorbic acid and acetylcysteine. X. Fan, K. Sokorai AGFD 132. Comparison of α-tocopherol levels in local Pennsylvania wheat flour and commodity wheat flour. E. Pollock, J. Trout, R. Trout AGFD 133. Pectin and whey protein concentrate minimizes the generation of acid whey in Greek style yogurt. R. Gyawali, T. Zimmerman, H. Colleran, S. Ibrahim AGFD 134. Impact of hydrocolloids on the water holding capacity of Greek style yogurt. S. Ibrahim, R. Gyawali, T. Zimmerman AGFD 135. Metabolite profiling of Candidatus Liberibacter infection in Hamlin sweet oranges. W. Hung, Y. Wang AGFD 136. Cyclodextrin effects on potato polyphenol oxidase-catalyzed reactions. S. Jiang, M.H. Penner AGFD 137. Research on age discrimination of Zhenjiang aromatic vinegar based on odour active compounds. Z. Sun AGFD 138. Reinforcement of carrageenan graft gallic acid with micro-fibrillated cellulose. S. Lakshmibalasubramaniam, B. Nayak AGFD 139. Development of simultaneous muliresidue analysis for 395 pesticides in soybean using gas chromatography-tandem mass spectrometry. Y. Shin, J. Lee, J. Lee, J. Lee, B. Kim, M. Rehan, J. Kim AGFD 140. Examining the effects of microfluidization on the physiochemical and coagulation properties of bovine milk. A.J. Bucci, D.L. Van Hekken, M.H. Tunick, J.A. Renye, P. Tomasula AGFD 141. Stereochemical and thermodynamic analysis of functionalized chocolate molecules and their derivatives: Applications in food and molecular chemistry. R. Kyung, J. Song AGFD 142. Phytochemical analisys of Spermacoce remota Lam, in search of understanding its phytochemical and ethno-pharmaceutical properties. G. Cruz Ruiz AGFD 143. Comparison of physicochemical and proximate properties of crude rice bran and processed rice (Oryza sativa) oils. S.A. Aderibigbe AGFD 144. The antioxidant activity of cold brew coffee. M. Fuller, N.Z. Rao AGFD 145. Wheatscan – unraveling the causes for wheat sensitivity. D. Pronin, K. Scherf

SECTION A Boston Convention & Exhibition Center Exhibit Hall B2/C

Value-Added Derivatives from Agro-Based Raw Materials Cosponsored by POLY M. Appell, A. Biswas, H. Cheng, Organizers 5:30 – 7:30 AGFD 146. Free radical scavenging and anti-inflammatory capacities of cold-pressed seed flour extracts. U. Choe, Y. Li, B. Gao, L. Yu, T.T. Wang, J. Sun, P. Chen, L.L. Yu AGFD 147. Combining acid hydrolysis and alpha-amylase digestion for the production of porous potato starch. A. Gonzalez, Y. Wang AGFD 148. High-viscosity and healthy polysaccharides as an industrial by-product from citrus segment membrane. J. Chen, X. Ye, R.J. Linhardt AGFD 149. Microwave assisted technology for the value added textiles. S. Chang, B.D. Condon, J. Smith

MONDAY MORNING SECTION A Boston Convention & Exhibition Center Room 107B

Chemistry, Flavor & Health Effects of Teas Chemistry Cosponsored by AGRO C. Ho, D. Li, Y. Wang, Z. Zhang, Organizers X. Wan, Organizer, Presiding C. Ho, Presiding 8:00 Introductory Remarks. 8:05 AGFD 150. Progress in tea chemistry from natural products approach. G. Bao, W. Wang, X. Li, J. Ke 8:30 AGFD 151. The complexity of the metabolism of tea polyphenols. S. Sang 8:55 AGFD 152. Tea is a dietary source of ellagitannins more relevant than previously thought. X. Yang, C.J. García, A.M. Blazquez, F. Tomas-Barberan 9:20 Intermission. 9:40 AGFD 153. Plant resources, chemistry and bioactivities of several wild tea plants in China. Y. Zhang, X. Meng, H. Zhu, D. Wang, C. Yang 10:00 AGFD 154. Characterization of Zijuan green tea metabolites: Comparison against Yunkang10 green tea by a non-targeted metabolomics approach. M. Li, H. Guo, D. Li, Z. Xie 10:20 AGFD 155. Triterpenoid saponins from the genus Camellia: Structures, biological activities, molecular simulation for structure-activity relationship. C. Cui 10:40 AGFD 156. Bifunctional properties of tea catechins: Mechanism of actions on antioxidation and anti-reactive carbonyl species. C. Ho

SECTION B Boston Convention & Exhibition Center Room 107C

Structure & Assembly of Food Biopolymers Cosponsored by POLY Q. Huang, Organizer, Presiding W. Jin, Y. Ting, Q. Wang, Presiding 8:00 Introductory Remarks. 8:05 AGFD 157. Characterization of zein-oleic acid assemblies by ultra-small angle X-ray scattering. G. Padua, S. Uzun 8:35 AGFD 158. Casein studied by X-ray and neutron scattering. G. Smith, E. Brok, G. Jensen, S. Midtgaard, N. Skar-Gislinge, L. Arleth 9:05 AGFD 159. Mechanistic understanding of the formation of edible spherical and tubular nanoparticles: Insights of the thermodynamics of interaction. L.F. Maldonado, S. Chough, T. Yilmaz, J. Kokini 9:35 Intermission. 9:50 AGFD 160. Development of soy glycinin microcapsule responsive to ionic strength and pH. Q. Wang, N. Chen, J. Zhang 10:20 AGFD 161. Flexible and more water-resistant edible films from caseinate, milk and alkali. L. Bonnaillie, P. Tomasula, M.H. Tunick 10:50 AGFD 162. Dissolution evaluation of Felodipine/ zein amorphous solid dispersions system as compared to commercial polymers HPMC-AS and PVP-VA. H. Zhang 11:20 AGFD 163. Application of cereal prolamin coixin for polymethoxyflavone encapsulation. X. Wang, Q. Huang

SECTION C Boston Convention & Exhibition Center Room 108

75

TECHNICAL PROGRAM

AGFD 91. Effect on the quality of raisin dried with cold atmospheric plasma pretreatment: Microstructure, total phenolic content, antioxidant activity, and color. F. Chang, Y. Ting, J. Wu AGFD 92. Effect of cooking on antioxidant activity of the pea (Pisum sativum L.) cultivar with purple pods. M. HiemoriKondo AGFD 93. Chemical constituents and antimalarial activity of essential oils extracted from the stem, root and fruit peel of Citrus paradisi grown in Nigeria. O.E. Ogunjinmi, N.O. Olawore, A. Aliyu AGFD 94. Changes in flatus producing oligosaccharides in pulses cooked with various heating technologies and cooking solutions. E.M. Abdelaal, S. Ragaee, I. Rabalski, Y. Liu AGFD 95. Preparative separation of mono- and diiodinated fluoresceins from synthetic mixtures by pH-zone-refining countercurrent chromatography. R.A. Lazo Portugal, A. Weisz AGFD 96. Transformation of silica nanoparticles in response to food processing conditions and its effect on proteinnanoparticle interactions. W.H. Phue, S. George AGFD 97. Intrinsic luminescent probes as sensors to monitor structural properties and solvation in biodegradable films. L.A. Colaruotolo, C. Gonzalez Martinez, R. Bueno Lopez, H. Ball, R. Enfield, M. Corradini AGFD 98. Anti-aging effects of the constituents in the leaves of Callicarpa dichotoma. A. Sawabe, S. Tagashira, A. Yamash*ta, R. Takeda, A. Iida AGFD 99. Analysis of the relationship between Interleukin1β, body mass Index and body fat. N.O. Flynn, K. Mosher AGFD 100. ATR-FTIR analysis of beer. A. Campanella, M.D. Mosher AGFD 101. Starch and protein functional properties of whole pulse flours affected by germination of navy beans, pinto beans and lentils. M. Singh, J. Byars, M. Hojilla Evangelista AGFD 102. Evaluation of estrogenic activity of the novel bisphenol-A alternative, four bisguaiacol-F compounds, by in-vitro bioassays. Y. Peng, K. Reno, T.H. Epps, C. Wu AGFD 103. Analysis of antidiabetic constituents in Ocimum species. A.M. Rimando, M.M. Nickles, C.F. Williams, S.R. Mentreddy, S. Mathews AGFD 104. Computational and experimental research on the mechanism of cis/trans isomerization of oleic acid. J. Yin, S. Li, N. Cheng AGFD 105. Application and biological functionalization of biomass lignin for UV shielding. S. Lee, J. Choi, K. Won AGFD 106. Characterization of off-Taste compounds in potato fibers. C. Dawid, T. Duggan, T. Hofmann AGFD 107. Atmospheric cold plasma treatment enhanced mung bean germination and level of ᵧ-Aminobutyric acid (GABA). Y. Chou, Y. Ting, K. Cheng, J. Wu AGFD 108. Cold plasma treatment caused surface etching increased the yield of ginsenosides extraction. R. Wang, Y. Ting, J. Wu AGFD 109. Simple validated method for simultaneous determination of major type B trichothecenes and their 3-β-D-glucosides in the baby food and Korean rice wine by HPLC-UV detection and immunoaffinity cleanup. S. Lee, S. Woo, S. Kim, H. Chun AGFD 110. Effects of cold atmospheric plasma processing on vitamin C and phenolic content of orange juice. C. Chien, J. Wu, Y. Ting AGFD 111. Screening freshness of seafood by measuring trimethylamine (TMA) levels using Helium-Plasma Ionization mass spectrometry (HePI-MS). I.S. Herath, T.E. O’Donnell, A.B. Attygalle AGFD 112. Effects of atmospheric plasma pretreatment on the chemical characteristic of grape surface and drying rates of raisins. C. Huang, Y. Ting, J. Wu AGFD 113. Encapsulation of nobiletin in powdered nanoemulsion system: Enhanced storage stability and oral bioavailability. G. Lin, Y. Ting AGFD 114. Softer texture and higher gamma-aminobutyric acid (GABA) content of germinated brown rice after treated by atmospheric non-thermal plasma. P. Chou, K. Cheng, Y. Ting AGFD 115. Effect of high pressure processing on enzyme activity and related antioxidant attributes of aronia berry puree. B. Yuan, M. Lu, M. Danao AGFD 116. Effects of phenylalanine concentration and cultivation time on the formation of styrene and volatile compounds by Penicillium expansum. H. Kim, M. Kim, J. Seo, Y. Kim AGFD 117. Metabolomic analysis for the metabolites of estrogenic pesticides with liver S9 fractions as in vitro hepatic model. J. Auh, G. Kim, H. Lee

TECHNICAL PROGRAM

AGFD Bioactives & Skin Health Cosponsored by MEDI K. M. George, H. Ma, N. P. Seeram, Organizers, Presiding 8:00 Introductory Remarks. 8:05 AGFD 164. The skin whitening effect and mechanism of isoartocarpesin, a flavonoid from jackfruit. M. Wang, Y. Wu, S. Hu 8:35 AGFD 165. Study on the effect of collagen peptides on UV-induced photoaging mouse skin and its bioactive components. B. Li 9:05 Intermission. 9:20 AGFD 166. Oral administration of lipoteichoic acid from probiotic bacteria modulates cutaneous immune responses after ultraviolet exposure. D. González Maglio 9:50 AGFD 167. Skin anti-aging by polyphenolic botanicals via human dermal gene and protein expression analysis. E. Lephart 10:20 AGFD 168. Inhibitory effects of glucitol-core containing gallotannins from a proprietary red maple (Acer rubrum) leaves extract on elastase enzyme. H. Ma, N.P. Seeram 10:50 Concluding Remarks.

SECTION D Boston Convention & Exhibition Center Room 109A

Applied Nanotechnology for Food & Agriculture Cosponsored by AGRO S. Nam, B. Park, Organizers, Presiding 8:00 Introductory Remarks. 8:05 AGFD 169. An optimized experimental and modeling approach for bulk protein and oil prediction in soybean using transmission Raman spectroscopy. R. Singh, T. Wrobel, P. Mukherjee, M.R. Kole, M. Gryka, S. Harrison, R. Bhargava 8:30 AGFD 170. Assembly of biocatalytic materials using material-binding proteins/peptides. S. Singh, T.C. Hinkley, S.R. Nugen, J. Talbert 8:55 AGFD 171. Growth mechanism of silver nanoparticles synthesized by water-based binary polyol reduction. S. Nam, B. Park, B.D. Condon 9:20 AGFD 172. Controlled release nanocomposite microcapsules for agricultural applications. K. Shanmuganathan, P. Shukla, S. Jagtap, V. Patil, A. Sapre 9:45 Intermission. 10:00 AGFD 173. High aspect ratio nanomaterials enable biomolecule delivery and transgene expression or silencing in mature plants. G. Demirer, H. Zhang, J. Matos, R. Chang, B. Staskawicz, M. Landry 10:25 AGFD 174. Nanotechnology-based solutions for the removal and real-time monitoring of phosphorous containing species for sustainable food and agricultural production. E. Andreescu, D. Andreescu, E. Dumitrescu, A. Othman 10:50 AGFD 175. Rapid, extraction-free, PCR-free meat species identification with electric field induced release and measurement (EFIRM). X. Sun, X. Lin, M. Dai, Y. Chen, M. Tu, Y. Mo, W. Liao 11:15 AGFD 176. Nanotoxicological indices at exposure for Vigna subterranea. E.O. Nwaichi, E. Anosike 11:40 Concluding Remarks.

Cannabis Nanotechnology, Genetics & Innovative Trends in Cannabis Production Sponsored by CHAS, Cosponsored by AGFD

Role of P450s in Broad-Spectrum Multiple Herbicide Resistance in Weeds: Symposium Honoring Stephen Powles Sponsored by AGRO, Cosponsored by AGFD and ANYL

Growing with Project SEED: 50 years and 10,000+ Students Sponsored by PRES, Cosponsored by AGFD, AGRO, ANYL, BIOL, BMGT, CARB, CINF, COLL, ENFL, ENVR, HIST, I&EC, ORGN, PROF and SCHB

Fate & Metabolism of Xenobiotics: In Vitro & In Silico Studies Sponsored by AGRO, Cosponsored by AGFD, ANYL and ENVR

MONDAY AFTERNOON SECTION A Boston Convention & Exhibition Center Room 107B

76

Chemistry, Flavor & Health Effects of Teas Bioactivity Cosponsored by AGRO C. Ho, D. Li, X. Wan, Z. Zhang, Organizers Y. Wang, Organizer, Presiding Z. Xie, Presiding 1:00 Introductory Remarks. 1:05 AGFD 177. Studies on prevention of obesity, diabetes, cardiovascular diseases and cancer by tea. C. Yang 1:30 AGFD 178. Tea polyphenols for cancer chemoprevention. H. Xiao 1:55 AGFD 179. Disease chemopreventive effects and molecular mechanisms of tea polyphenols. M. Pan, Y. Chiou, C. Ho 2:20 AGFD 180. The mitochondria as a putative target for the actions of the green tea polyphenol, (-)epigallocatechin-3gallate. J. Lambert 2:45 Intermission. 3:05 AGFD 181. Effects of tea extracts on weight gain and gut microbiota in C57BL/6J mice fed a high-fat diet. J. Liu, Z. Chen 3:25 AGFD 182. Tea polysaccharides as potential preventive and therapeutic options for metabolic disease: The key role of the gut microbiota. X. Zeng, G. Chen, D. Chen, P. Wan 3:45 AGFD 183. Green tea and its functional components modulate the gut microbiota in obese mice induced by highfat diet. K. Sun, J. Li, E. Aokorful, X. Chen, X. Li 4:05 AGFD 184. Tea crude powder consumption attenuates smoking-induced foam cell formation through inhibition of the α9-nicotinic-acetylcholine receptor expression in monocytes: An ex vivo study. L. Chen, C. Ho, Y. Ho

SECTION B Boston Convention & Exhibition Center Room 107C

Structure & Assembly of Food Biopolymers Cosponsored by POLY Q. Huang, Organizer, Presiding W. Jin, Y. Ting, Q. Wang, Presiding 1:00 Introductory Remarks. 1:05 AGFD 185. Amylose-guest inclusion complexes for extended release of cyclic organic compounds. L. Shi, L. Kong, G. Ziegler, H. Hopfer 1:35 AGFD 186. Starch molecule assembly for bioactive components delivery. X. Li, L. Chen, X. Huang, L. Li 2:05 AGFD 187. Characterization of starch-fatty acid complexes and starch-fatty acid complexes stabilized Pickering emulsions. X. Lu, Q. Huang 2:35 Intermission. 2:50 AGFD 188. Polysaccharide microgels with tunable properties and unique functions to solely stabilize high internal phase emulsions to enhance the stability of carotene. B. Hu 3:20 AGFD 189. Chemical window into RNAi silencing of the StNAC103 gene in potato tubers: Monitoring the impact on suberin deposition by profiling of polar and nonpolar metabolites and suberin-enriched tissues. K. Dastmalchi, O. Chira, M. Perez Rodriguez, M. Figueras, O. Serra, R.E. Stark 3:50 AGFD 190. A novel cage-like crosslinked porous starch preparation and application. F. Ning, H. Xiong, Q. Huang

SECTION C Boston Convention & Exhibition Center Room 108

Bioactives & Skin Health Cosponsored by MEDI K. M. George, H. Ma, N. P. Seeram, Organizers, Presiding 1:00 Introductory Remarks. 1:10 AGFD 191. Health claims proposed under regulation (EC) No. 1924/2006 in the framework of maintenance of skin function: Claimed effects, outcome variables and methods of measurement. D. Martini, D. Del RIo 1:40 AGFD 192. Investigation of mechanisms of photoaging and development of target-based skin care products. Y. Wan 2:10 Intermission. 2:25 AGFD 193. Inhibitory effects of 4’-demethylnobiletin, a major metabolite of nobiletin and 7,7’-bromo-curcumin, a bioactive analog of curcumin on 12-O-tetradecanoylphorbol13-acetate (TPA)-induced skin inflammation. X. Wu, K. Rakariyatham, G. Zhang, H. Xiao 2:55 AGFD 194. Protective effects of pomegranate (Punica granatum) phenolics against hydrogen peroxide-induced oxidative stress in human HaCaT keratinocytes. C. Liu, H. Guo, N. DaSilva, Y. Wan, H. Ma, N.P. Seeram

3:25 AGFD 195. Effect of collagen peptides intake on chronologically aged mouse skin. H. Song, B. Li 3:55 Concluding Remarks.

SECTION D Boston Convention & Exhibition Center Room 109A

Get Published: Panel Discussion with JAFC Editors Cosponsored by AGRO B. D. Guthrie, Organizer, Presiding 1:00 Introductory Remarks. 1:05 AGFD 196. Guidance and tips for successful scientific publication in the Journal of Agricultural and Food Chemistry. T. Hofmann 1:20 AGFD 197. How to show the originality and novelty of the study reported. F. Tomas-Barberan 1:35 AGFD 198. How to perform research on bioactive food constituents. V. Somoza 1:50 Panel Discussion.

Role of P450s in Broad-Spectrum Multiple Herbicide Resistance in Weeds: Symposium Honoring Stephen Powles Sponsored by AGRO, Cosponsored by AGFD and ANYL

Uses of Mass Spectrometry in Agricultural Research & Development: New Trends & Best Practices Sponsored by AGRO, Cosponsored by AGFD, ANYL and ENVR

Undergraduate Research Posters Agricultural & Food Chemistry Sponsored by CHED, Cosponsored by AGFD and SOCED

MONDAY EVENING SECTION A Boston Convention & Exhibition Center Exhibit Hall B2/C

Sci-Mix X. Fan, Organizer 8:00 – 10:00 68, 76, 78, 79, 83, 91, 96, 97, 99, 107, 111, 119, 123, 128, 135, 136, 140, 144, 146, 147, 155, 178, 180, 195. See previous listings. 234, 248, 298, 300, 307, 311, 316, 331, 347. See subsequent listings.

TUESDAY MORNING SECTION A Boston Convention & Exhibition Center Room 107B

Chemistry, Flavor & Health Effects of Teas Bioactivity Cosponsored by AGRO C. Ho, X. Wan, Z. Zhang, Organizers D. Li, Y. Wang, Organizers, Presiding 8:00 Introductory Remarks. 8:05 AGFD 199. Roasting process improves the hypoglycemic effect of large yellow tea by enhancing the inhibition effect of epimerized catechins on α-glucosidase. X. Wan, J. Zhou, L. Zhang 8:30 AGFD 200. Promotion of healthy lifespan by tea in Caenorhabditis elegans. L. Xiong, Y. Gong, Q. Liang, Z. Liu 8:55 AGFD 201. Flavonoids alleviating insulin resistance through inflammatory signaling. Y. Tu 9:20 Intermission. 9:40 AGFD 202. Receptor Na/K-ATPase, ECG and heart. Z. Xie 10:00 AGFD 203. Three tea catechins inhibit contraction of vascular smooth muscle. M. Yao, Z. Wang, Z. Shen, Z. Xie 10:20 AGFD 204. Anti-fibrotic activity of dominant tea polyphenols in rats. S. Li, G. Yang, H. Zhao, C. Ho 10:40 AGFD 205. Protective effect of oolong tea theasinensin A against carbon tetrachloride-induced liver injury in mice. W. Hung, Y. Wang, Y. Chiou, Y. Tung, C. Ho, Y. Wang, M. Pan

SECTION B Boston Convention & Exhibition Center Room 107C

Structure & Assembly of Food Biopolymers Cosponsored by POLY Q. Huang, Organizer, Presiding W. Jin, Y. Ting, Q. Wang, Presiding 8:00 Introductory Remarks.

SECTION C Boston Convention & Exhibition Center Room 108

Taste & Aroma Modulators: Chemistry, Biology & Sensory J. A. Grover, B. D. Guthrie, D. B. Josephson, L. Kreger, T. Shao, M. Sucan, Y. Wang, Organizers, Presiding 8:00 Introductory Remarks. 8:45 AGFD 213. New insights into peripheral taste signaling pathways. K. Medler 9:20 AGFD 214. A whole taste papilla method to identify taste modifiers. B.D. Guthrie 9:55 Intermission. 10:10 AGFD 215. Multiple-modality, simultaneous modulation of tastes. D.B. Josephson 10:45 AGFD 216. Effect of taste modifier compounds (TMCs) on mice taste responses. A. Vandenbeuch, D.B. Josephson 11:20 Concluding Remarks.

SECTION D Boston Convention & Exhibition Center Room 109A

Young Scientist/JAFC Best Paper Awards Cosponsored by PROF K. D. Deibler, Organizer, Presiding 8:15 Introductory Remarks. 8:20 AGFD 217. CD36 ligand activities of flavor volatiles in foods with an aldehyde moiety: Identification of saturated aliphatic aldehydes with 9–16 carbon atoms as potential ligands of the receptor. S. Tsuzuki, T. Amitsuka, T. Okahashi, Y. Kimoto, K. Inoue 9:05 Intermission. 9:20 AGFD 218. Processing-induced modification on food peptide structure and function. C. Udenigwe

SECTION D Boston Convention & Exhibition Center Room 109A

Sterling Hendricks Memorial Lectureship Cosponsored by AGRO A. M. Rimando, Organizer, Presiding 11:00 Introductory Remarks. 11:05 AGFD 219. Pathogens and pesticides - Research topics in food and environmental safety. J.N. Seiber

Synthesis & Chemistry of Agrochemicals ACS Industrial Chemistry Award Symposium in honor of George P. Lahm Sponsored by AGRO, Cosponsored by AGFD, ENVR, I&EC‡ and ORGN

Agricultural Based Natural Products as Biorational Pesticides Sponsored by AGRO, Cosponsored by AGFD

Joint Reviews for New Pesticides: Success Stories, Challenges & Future Prospects Sponsored by AGRO, Cosponsored by AGFD

TUESDAY AFTERNOON SECTION A

Chemistry, Flavor & Health Effects of Teas Flavor Cosponsored by AGRO C. Ho, X. Wan, Y. Wang, Z. Zhang, Organizers D. Li, Organizer, Presiding Z. Xie, Presiding 1:00 Introductory Remarks. 1:05 AGFD 220. Identification of aroma-active compounds in tea. Y. Wang, S. Feng 1:30 AGFD 221. Aroma formation by tea leaf manufacturing processes. Z. Feng, Y. Li, Y. Wang, L. Zhang, X. Wan, X. Yang 1:55 AGFD 222. Elucidation of the key aroma compounds in Hojicha – a roasted green tea beverage (Camellia Sinensis) and comparison with a tea beverage prepared from unroasted, but steamed green tea. M. Flaig, P.H. Schieberle 2:20 Intermission. 2:40 AGFD 223. Biosyntheses of characteristic aroma compounds in tea (Camellia sinensis) leaves and their formations in response to biotic and abiotic stresses. Z. Yang 3:00 AGFD 224. Unraveling a crosstalk regulatory network of temporal aroma accumulation in tea plant (Camellia sinensis) leaves by integration of metabolomics and transcriptomics. C. Wei 3:20 AGFD 225. Aroma characterization of aged green tea using headspace solid-phase microextraction combined with GC/MS and GC–olfactometry. Q. Dai 3:40 AGFD 226. Chemical synthesis for a compound library of glycosidically bound tea aroma precursors and p-nitrophenyl β-D-primeveroside. K. Liu, X. Ku, J. Yu, W. Deng, Z. Zhang

SECTION B Boston Convention & Exhibition Center Room 107C

Food Bioactives, Nano-Technology & Other Delivery Systems Cosponsored by AGRO F. Shahidi, Organizer, Presiding 1:00 Introductory Remarks. 1:05 AGFD 227. Delivery of ingredients and bioactive compounds to food. F. Shahidi, P. Ambigaiplalan 1:30 AGFD 228. Fabrication of chia (salvia hiSpanica L.) seed oil nanoemulsions using different emulsifiers. J. Teng, N. Tao, M. Wang 1:55 AGFD 229. Encapsulation, protection and controlled release of nutraceuticals using biopolymer microgels. Z. Zhang, R. Zhang, B. Zheng, D. McClements 2:20 AGFD 230. Silica-based delivery systems for oral delivery of drugs, enzymes and probiotics. A. Pasc, M. Girardon, N. Canilho 2:45 AGFD 231. Mobilization of lipophobicity of cellulose nanocrystals (CNCs): An efficient encapsulation of phycobiliproteins. A.S. Patel, B. Nayak 3:10 Intermission. 3:25 AGFD 232. Compositional analyses of cultivars chrysanthemum and evaluations of their antioxidant and anti-inflammatory properties. Y. Li, J. Sun, B. Gao, J. Liu, P. Yang, W. Lu, P. Chen, L.L. Yu 3:50 AGFD 233. Hypochoelsterolemic activity of polyphenols and essential oil of Amomum tsao-ko is mediated by increasing fecal excretion of neutral and acidic sterols. L. Lei, Y. Zhao, Z. Chen 4:15 AGFD 234. Cinnamaldehyde inhibits fatty acid uptake and increases serotonin release in Caco-2 cells via a TRP-A1 dependent pathway. J.K. Hoi, B. Lieder, J. Hans, J.P. Ley, V. Somoza 4:40 AGFD 235. Sea buckthorn seed oil is more potent in reducing plasma cholesterol than sea buckthorn fruit oil in hypercholesterolemia hamsters. W. Hao, Z. Chen

SECTION C Boston Convention & Exhibition Center Room 108

Taste & Aroma Modulators: Chemistry, Biology & Sensory J. A. Grover, B. D. Guthrie, D. B. Josephson, L. Kreger, T. Shao, M. Sucan, Y. Wang, Organizers, Presiding 1:00 Introductory Remarks. 1:10 AGFD 236. When we modulate sweet taste, what else are we modulating? P.A. Breslin 1:45 AGFD 237. Unique challenges faced by efforts to reduce NaCl consumption through manipulation of salty taste perception. B. Lewandowski

2:20 AGFD 238. Cell based discovery and translation of flavor modulators in salt taste. R.E. Loy, S. Hayden, O. Dedova, D. Sawchuk, K. Shekdar 2:55 Intermission. 3:10 AGFD 239. HGT-1, a native multi-receptor cell model as an advanced tool for the identification of natural bitter taste antagonists. V. Somoza, K.I. Liszt, L. Beltran, J. Hans, J.P. Ley 3:45 AGFD 240. Discovery and function of flavors with modifying properties (FMPs) for attenuation of bitterness in consumer products, pharmaceuticals and OTCs. G. Servant 4:20 Concluding Remarks.

SECTION D Boston Convention & Exhibition Center Room 109A

AGFD Award Symposium in honor of Dr. Sevim Erhan Cosponsored by AGRO and PROF B. D. Guthrie, M. H. Tunick, Organizers, Presiding 1:00 Introductory Remarks. 1:05 AGFD 241. Innovative uses of vegetable oils. S.Z. Erhan 1:50 AGFD 242. Biosynthesis and applications of mirobial glycolipid biosurfactants. D. Solaiman, R.D. Ashby 2:15 AGFD 243. Hybrid vegetable oil/essential oil compounds as a new class of environmentally friendly antimicrobials. H. Ngo, K. Wagner, X. Fan, R. Moreau 2:40 AGFD 244. Plants to plastics. A. Biswas, H.N. Cheng, S.Z. Erhan, M. Appell 3:05 Intermissions. 3:20 AGFD 245. Synthetic platform for controlled delivery of 1-MCP: An effective approach to the protection of crops and produce. M.I. Sarker, L. Liu, T. Shahrin, X. Fan, P. Tomasula, C. Liu 3:45 AGFD 246. Active packaging from green polymers through intra- and inter- agencies collaborations. T. Jin, A. Sousa, X. Fan, L. Liu, K. Yam, P. Tomasula 4:10 AGFD 247. Utilizing industrial crops (pennycress, camelina, lesquerella, cuphea) as novel protein sources. M.P. Hojilla-Evangelista, R. Evangelista, G.W. Selling, M.A. Berhow 4:35 AGFD 248. Deriving value-added chemicals from Sorghum bicolor: An approach at utilizing the entire sorghum plant. R.J. Stoklosa

SECTION E Boston Convention & Exhibition Center Room 109B

General Papers Nutrients, Sensory X. Fan, Organizer, Presiding H. Ma, Presiding 1:00 Introductory Remarks. 1:05 AGFD 249. Seasonal and geographical effect on the chemical signature of milk. L.I. Pilkington, Q. Wan, D. Barker, B. Fedrizzi 1:30 AGFD 250. Applying signal detection theory (d’) for wine sensory analysis. R. Hahn, C. Fuentes, E. Tomasino 1:55 AGFD 251. Effectiveness of Aloe vera gel based chitosan coating for maintaining physico-chemical characteristics of tomato (Solanum Lycopersicum). Z. Nasreen, M. Alom 2:20 Intermission. 2:30 AGFD 252. Tangeretin and 3’,4’,3,5,6,7,8-heptamethoxyflavone decrease insulin resistance, fat accumulation and oxidative stress in mice fed high-fat diet. J.A. Manthey, M. Nery, D. Goncalves, L.C. Spolidorio, T.B. Cesar 2:55 AGFD 253. Potential preventive and anti-diabetic effects of feruloylated oligosaccharides. J. Huang, C. Ho, S. Ou 3:20 AGFD 254. Effect of temperature and pressure on the stability of ascorbic acid in citrus fruit juices. M.C. Azih 3:45 AGFD 255. Oxidative stability studies on cashew nut (Anarcardium occidentale) oil. M.C. Azih

Synthesis & Chemistry of Agrochemicals Kenneth A. Spencer Award: Symposium in Honor of Thomas M. Stevenson Sponsored by AGRO, Cosponsored by AGFD, ENVR, I&EC‡ and ORGN

Agricultural Based Natural Products as Biorational Pesticides Sponsored by AGRO, Cosponsored by AGFD

Boston Convention & Exhibition Center Room 107B

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8:05 AGFD 206. Gelatin and pectin complex coacervates as carriers for cinnamaldehyde: Effect of pectin esterification degree on coacervate formation and enhanced thermal stability. S. Xia 8:35 AGFD 207. Structural characterization and applications of microgels assembled by food proteins and polysaccharides. W. Jin, F. Jiang 9:05 AGFD 208. Assembly of ovotransferrin and gum arabic to stabilize Pickering emulsions. Z. Wei 9:35 Intermission. 9:50 AGFD 209. Encapsulating curcumin into chitosan/ alginate bilayer nanoparticles by coaxial electrospray. Y. Ting, C. Tsai 10:20 AGFD 210. Development of different delivery systems of resveratrol with high-loading capacities and targetdelivery properties. J. Zhu, Q. Huang 10:50 AGFD 211. Whey protein isolate-low methoxyl pectin soluble complexes as delivery vehicles for quercetin. W. Wijaya, R. Harfieyanto, A. Patel, P. Van der Meeren 11:20 AGFD 212. Delivery of capsaicin using organogelbased nanoemulsions with enhanced bioaccessibility and anti-obesity effects. M. Lu, Y. Cao, C. Ho, Q. Huang

TECHNICAL PROGRAM

AGFD Joint Reviews for New Pesticides: Success Stories, Challenges & Future Prospects Sponsored by AGRO, Cosponsored by AGFD

Chiral Agrochemicals: Analytical Advances & Regulatory Trends Sponsored by AGRO, Cosponsored by AGFD and ANYL

WEDNESDAY MORNING SECTION A Boston Convention & Exhibition Center Room 107B

Chemistry, Flavor & Health Effects of Teas Chemistry & Biochemistry Cosponsored by AGRO C. Ho, D. Li, Y. Wang, Z. Zhang, Organizers X. Wan, Organizer, Presiding C. Ho, Presiding 8:00 Introductory Remarks. 8:05 AGFD 256. Impact of botanical diversity within Theacae species on the metabolomic profile and biomedical activity. H.J. Thompson, Y. Wang, X. Wan 8:30 AGFD 257. Caffeine and amino acids affect the bioavailability of tea polyphenols in human Caco-2 intestinal cells. D. Li, Y. Wang, Y. Zuo, F. Zu, Q. Liu, S. Deng, Z. Shen, Z. Xie 8:55 AGFD 258. Technological innovation promotes the development of tea catechins industry. S. Zhang, Z. Liu 9:20 Intermission. 9:40 AGFD 259. Functional characterization of CsNUDX1 related to geraniol formation in Camellia sinensis. S. Wei 10:00 AGFD 260. Functional verification of different tannase genes in the tea plant [Camellia sinensis]. L. Gao, X. Dai 10:20 AGFD 261. Inhibitory effects of tea polyphenols on protein advanced glycation and oxidation in the fructoseinduced protein system. T. Hsiao, Y. Wang, S. Li, M. Pan, C. Ho, C. Lo 10:40 Concluding Remarks.

SECTION B Boston Convention & Exhibition Center Room 107C

Food Proteins: Structure, Functionality, Bioactivity & Safety V. P. Dia, Organizer Y. Zhang, Organizer, Presiding 8:00 Introductory Remarks. 8:05 AGFD 262. Characterization and functional properties of walnut protein isolates and Maillard reaction products with dextran. Q. Liu, Q. Huang 8:35 AGFD 263. Characterization, cloning, expression and molecular modelling of acidic cellulase from Indian buffalo rumen. S.J. Jakhesara, T. Dadheech, R. Shah, R. Pandit, A. Hinsu, A.P. Kunjadiya, D.N. Rank, C.G. Joshi 9:05 AGFD 264. C-terminal truncation decreases the metal ion dependence and improves stability of a thermophilic 1,4-α-glucan branching enzyme. Z. Li, X. Ban, C. Li, Y. Zhang, Z. Gu, L. Cheng, Y. Hong 9:35 AGFD 265. Removal of methylmercury from fish fillets using vacuum tumblers and reducing agents. S. Umasangtongkul, J.W. Ejnik 10:05 Intermission. 10:20 AGFD 266. Structure, function and epitope mapping the peanut panallergen Ara h 8. B. Hurlburt 10:50 AGFD 267. Purification and characterization of parvalbumins, the major allergens in Mustelus griseus. R. Yang, T. Jin, M. Cao 11:20 AGFD 268. Brazil nut (Bertholletia excelsa) allergen Ber e 2 in the history of protein chemistry. Y. Zhang, F. Guo, T. Jin, A.J. Howard, H. Che, T.H. McHugh

SECTION C Boston Convention & Exhibition Center Room 108

Taste & Aroma Modulators: Chemistry, Biology & Sensory J. A. Grover, B. D. Guthrie, D. B. Josephson, L. Kreger, T. Shao, M. Sucan, Y. Wang, Organizers, Presiding 8:00 Introductory Remarks. 8:10 AGFD 269. Discovery of new taste modifiers using the Nature-Inspired Chemical Design approach. E. Frerot, I. Cayeux

8:45 AGFD 270. Characterization of 2,5-dimethyl-2,4dihydroxy-3(2H) furanone, a flavourant principle from Sysepalum dulcificum. C. Chukwu 9:20 AGFD 271. Substituted 3-oxazolines: A novel class of Strecker aldehyde precursors in foods. M. Granvogl, P.H. Schieberle 9:55 Intermission. 10:10 AGFD 272. Discovery and biogeneration of food-born taste modulators upon fermentation. A. Dunkel, P. Christa, M. Dietz, A. Krauss, T. Hofmann 10:45 AGFD 273. Food-born acetylenic oxylipins as natural kokumi enhancers. T. Hofmann, V. Mittermeier, A. Dunkel 11:20 Concluding Remarks.

SECTION D Boston Convention & Exhibition Center Room 109A

Diet, Health & Gut Microbiome Cosponsored by AGRO, BIOL, CARB and CELL I. Edirisinghe, C. Lai, S. Sang, L. L. Yu, Organizers L. Liu, F. Tomas-Barberan, Organizers, Presiding 8:25 Introductory Remarks by LinShu Liu. 8:30 AGFD 274. Agricultural basis for enhancing the benefits of the human gut microbiome. P. Starke-Reed 9:00 AGFD 275. Diet, the gut microbiome, and its metabolome in health and disease. G. Wu 9:30 AGFD 276. Fiber-fermenting gut bacteria as “foundation guild” for a health-supporting gut microbiota. L. Zhao 10:00 Intermission. 10:15 AGFD 277. Colonic fermentation exploration of gut microbial metabolism of cranberry polyphenols. T. Branck, L.A. Doherty, S. Arcidiacono, I. Pantoja-Feliciano, K. Kensil, C. Khoo, C. Chen, A. Kane, K. Racicot, J.W. Soares 10:45 AGFD 278. Polyphenol exposure, microbial metagenomics, polyphenol metabolites and their biological activity. B. Burton-Freeman 11:15 AGFD 279. Developing computational resources for mining microbiome data for antibiotic resistance posed health threat and insights from bioinformatics analyses. L. Zhang 11:45 AGFD 280. Stratification by gut microbiota metabotypes can explain differences in response to polyphenol dietary interventions. F. Tomas-Barberan, A. González-Sarrías, R. García-Villalba, M. Romo-Vaquero, D. Beltrán, V. Selma, J. Espín

SECTION E Boston Convention & Exhibition Center Room 109B

Value-Added Derivatives from Agro-Based Raw Materials Polysaccharide-Related Materials

Sponsored by AGRO, Cosponsored by AGFD

Analytical Topics for Ag Process Chemistry & Formulations Research Sponsored by AGRO, Cosponsored by AGFD and ANYL

WEDNESDAY AFTERNOON SECTION A Boston Convention & Exhibition Center Room 107B

Advances in Methods & Protocols for Food Pathogen & Toxin Detection X. He, B. Park, Organizers, Presiding 1:00 Introductory Remarks. 1:05 AGFD 288. Investigation of toxic α-dicarbonyl compounds formed from heated cooking oils. Q. Wang, M. Hengel, T. Shibamoto 1:30 AGFD 289. Engineering a click-functional T7 bacteriophage for rapid pathogen detection. H.S. Zurier, J.M. Goddard, S.R. Nugen 1:55 AGFD 290. Improvement of immunoassays for detection of Shiga toxins in human serum. X. He 2:20 AGFD 291. DOLC-NMR: Differential off-line LC-NMR analysis for the discovery of toxic metabolites in Penicillium roqueforti. R. Hammerl, O. Frank, T. Hofmann 2:45 Intermission. 3:00 AGFD 292. Phage-based biosensors for rapid testing of agricultural and process water. T.C. Hinkley, J. Talbert, S.R. Nugen 3:25 AGFD 293. Rapid detection methods for foodborne bacterial pathogens. G. Zhang 3:50 AGFD 294. Influence of pH on the thermal stability of Staphylococcal enterotoxins A and B and on the reversibility of protein refolding as measured by differential scanning calorimetry. W.H. Tolleson, O.A. Triplett 4:15 AGFD 295. Shiga toxin detection with label-free surface plasmon resonance immunosensor. B. Park, J. Chen, X. He 4:40 AGFD 296. Fluorescent [5]helicene dyes for biosensing application. T. Sooksimuang, S. Sahasithiwat, N. Karoonuthaisiri, R. Charlermroj, M. Makornwattana, S. Phuengwas, W. Panchan, L. Kangkaew 5:05 Concluding Remarks.

SECTION B Boston Convention & Exhibition Center Room 107C

Chemistry & Health Benefits of Natural Foods & Beverages

Cosponsored by POLY M. Appell, Organizer A. Biswas, H. Cheng, Organizers, Presiding C. Osorio Roa, Presiding 8:00 Introductory Remarks. 8:05 AGFD 281. Enzymatic polymerization for engineered polysaccharides: A platform technology at DuPont Industrial Biosciences. R. Guan, N. Behabtu, R. DiCosimo, S.M. Hennessey, S. Kralj, C.P. Lenges, Y. Li, H.S. Lu 8:35 AGFD 282. Functionalization and derivatization of polysaccharides using ionic liquids. J. Kadokawa 9:05 AGFD 283. Microwave-assisted synthesis and characterization of sucrose polyurethane and its interpenetrating polymer networks. A. Biswas, S. Kim, V. Boddu, H.N. Cheng 9:35 AGFD 284. Sustainable raw materials - A platform for molecular design. G. John 10:05 Intermission. 10:25 AGFD 285. Rheology of cellulose ether carriers for hot melt extrusion. R.L. Sammler, T. Chatterjee, K. O’Donnell, M. Rickard, B. Nickless, Y. Li 10:55 AGFD 286. Sulfur-cellulose composite preparation and thermomechanical analysis. M.K. Lauer, T. Thiounn, A.G. Tennyson, R.C. Smith 11:25 AGFD 287. Physicochemical characterization of valueadded microencapsulates from tropical fruit by-products. J. García-Chacón, D. Giuffrida, C. Osorio Roa

Cosponsored by AGFD Y. Kim, Organizer K. G. Lee, Organizer, Presiding M. K. Kim, Presiding 1:00 Introductory Remarks. 1:05 AGFD 297. Absorption and metabolism of apple phenolic compounds in humans. J. Lee, A.E. Mitchell 1:30 AGFD 298. Dietary intake of the whole strawberry inhibited colonic inflammation, restored immune homeostasis and alleviated gut microbiota dysbiosis in dextran sulfate sodium-treated mice. Y. Han, H. Xiao 1:55 AGFD 299. Genomics and evolution of fungal gene clusters responsible for synthesis of sphinganine-analog metabolites of concern to human health and food safety. H. Kim 2:20 Intermission. 2:35 AGFD 300. Analysis of volaile compounds in various foods using stir bar sorptive Extraction and solid-phase microextraction-arrow. H. Jang, Y. Lee, J. Lee 3:00 AGFD 301. Dietary supplementation of potato peel powders prepared from conventional and organic russet and nonorganic gold and red potatoes reduces weight gain in mice on a high-fat diet. S. Elkahoui, C. Levin, G.E. Bartley, W.H. Yokoyama, M. Friedman 3:25 AGFD 302. Enhancement of powdered protein functionality by fortifying with natural extracts. Y. Kim

Cannabis Nanotechnology, Genetics & Innovative Trends in Cannabis Production

Boston Convention & Exhibition Center Room 108

Sponsored by CHAS, Cosponsored by AGFD

Synthesis & Chemistry of Agrochemicals Sponsored by AGRO, Cosponsored by AGFD, ENVR, I&EC‡ and ORGN

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Agricultural Based Natural Products as Biorational Pesticides

SECTION C

Taste & Aroma Modulators: Chemistry, Biology & Sensory J. A. Grover, B. D. Guthrie, D. B. Josephson, L. Kreger, T. Shao, M. Sucan, Y. Wang, Organizers, Presiding

SECTION D Boston Convention & Exhibition Center Room 109A

Diet, Health & Gut Microbiome Cosponsored by AGRO, BIOL, CARB and CELL I. Edirisinghe, L. Liu, F. Tomas-Barberan, L. L. Yu, Organizers C. Lai, S. Sang, Organizers, Presiding 1:15 Welcome Back Remarks by Shengmin Sang. 1:20 AGFD 308. Interindividual variability in metabolism of oat avenanthramides by human gut microbiota. S. Sang 1:40 AGFD 309. Specific members of the human gut microbiome colonize wheat bran-based dietary platforms, thus driving the production of health-related microbial metabolites. P. Van den Abbeele, K. De Paepe, M. Marzorati, T. Van den Wiele 2:00 AGFD 310. Effects of dietary fiber by-product shortchain fatty acids on intestinal cell physiology and health. S. Pearce, N. Ferguson, J.P. Karl, S. Arcidiacono, J.W. Soares, K. Racicot, D. Breault 2:20 AGFD 311. Acute stressor alters inter-species competition for resistant starch in the gut microbiota. I. Pantoja Feliciano, J.W. Soares, L.A. Doherty, J.P. Karl, H.L. McClung, N.J. Armstrong, T. Branck, S. Arcidiacono 2:40 AGFD 312. Epigenetic and metabolomic signature of gene-diet interaction on metabolic diseases. C. Lai, L.D. Parnell, C. Smith, J. Ordovas 3:00 Intermission. 3:15 AGFD 313. Gypenosides improved metabolic syndrome by inducing adipose tissue remodeling and modulating gut microbiota composition in diet-induced obese mice. J. Liu, Y. Li, Z. Wang, H. Zhang, Y. Liu, J. Wang, B. Sun, L.L. Yu 3:35 AGFD 314. Chemical compositions of cold-pressed seed flours and their effects on gut microbiota and free radicals. U. Choe, Y. Li, B. Gao, L. Yu, T.T. Wang, J. Sun, P. Chen, J. Liu, L.L. Yu 3:55 AGFD 315. Metabolism of black tea thearubigins by gut microbiota. W. Wang, S. Zhang, C. Ohland, C. Jobin, S. Sang 4:15 AGFD 316. Impact of Western diet versus Mediterranean diet feeding on gut microbiome in nonhuman primates. R. Nagpal, C. Shivley, S. Appt, T. Register, H. Yadav 4:35 AGFD 317. Development of a stable gut microbiota community using in vitro methods. J. Firrman, L. Liu, P. Van den Abbeele, C. Tanes, K. Bittinger, P. Tomasula 4:55 Concluding Remarks by Liangli Yu.

SECTION E Boston Convention & Exhibition Center Room 109B

Value-Added Derivatives from Agro-Based Raw Materials Triglycerides & Lignin Cosponsored by POLY M. Appell, Organizer A. Biswas, H. Cheng, Organizers, Presiding C. Osorio Roa, Presiding 1:00 AGFD 318. Design of environmentally friendly and cost effective technology for production of valuable modified lipid products. H. Ngo, R. Moreau 1:30 AGFD 319. Nontoxic flame retardants from a nonedible plant oil. B.A. Howell, E.A. Ostrander 2:00 AGFD 320. Synthesis and Properties of Azidated Adenopus breviflorus benth seed oil. E.T. Akintayo 2:30 AGFD 321. Cationic polymerization of epoxidized triglycerides and their copolymers. H. Cheng, Z. Liu, A. Biswas 3:00 Intermission.

3:20 AGFD 322. Strategic assemblies of wood-derived building blocks for the advancement of bio-based polymers and composites. J.F. Stanzione 3:50 AGFD 323. Polymer-grafted lignin dispersants: Applications in cement and agrochemicals. N. Washburn, K.M. Perkins, C. Childs 4:20 AGFD 324. Next generation bisphenols derived from lignin and cashew nut shell liquid (CNSL): Application in thermosetting resins. A.W. Bassett, C.M. Breyta, A.E. Honnig, J.H. Reilly, K.R. Sweet, J. La Scala, J.F. Stanzione

Cannabis Nanotechnology, Genetics & Innovative Trends in Cannabis Production Sponsored by CHAS, Cosponsored by AGFD

Surfactant & Colloid Science as Applied to Agrochemical Formulations Sponsored by AGRO, Cosponsored by AGFD, ENVR‡ and ORGN

Chemistry & Health Benefits of Natural Foods & Beverages Cosponsored by AGFD

New Analytical Technologies for Pesticide Analysis Sponsored by AGRO, Cosponsored by AGFD, ANYL and ENVR

Pesticides & Chemophobia in the News: What You Need to Know as a Scientist & Consumer Sponsored by AGRO, Cosponsored by AGFD, CHAL, CHAS and ENVR

Agricultural Based Natural Products as Biorational Pesticides Sponsored by AGRO, Cosponsored by AGFD

Around the World with Pesticide Maximum Residue Levels Sponsored by AGRO, Cosponsored by AGFD

Assessing Risk, Providing Benefit: Making Informed Decisions in Endangered Species Pesticide Risk Management Sponsored by AGRO, Cosponsored by AGFD

Chiral Agrochemicals: Analytical Advances & Regulatory Trends Sponsored by AGRO, Cosponsored by AGFD and ANYL

Pesticides & Chemophobia in the News: What You Need to Know as a Scientist & Consumer Sponsored by AGRO, Cosponsored by AGFD, CHAL, CHAS and ENVR

Role of P450s in Broad-Spectrum Multiple Herbicide Resistance in Weeds: Symposium Honoring Stephen Powles Sponsored by AGRO, Cosponsored by AGFD and ANYL

Surfactant & Colloid Science as Applied to Agrochemical Formulations Sponsored by AGRO, Cosponsored by AGFD, ENVR‡ and ORGN

Synthesis & Chemistry of Agrochemicals: ACS Industrial Chemistry Award Symposium in honor of George P. Lahm Sponsored by AGRO, Cosponsored by AGFD, ENVR, I&EC‡ and ORGN

Uses of Mass Spectrometry in Agricultural Research & Development: New Trends & Best Practices Sponsored by AGRO, Cosponsored by AGFD, ANYL and ENVR

THURSDAY MORNING SECTION A Boston Convention & Exhibition Center Room 252A

General Papers Detection Methods X. Fan, Organizer, Presiding H. Ma, Presiding 8:00 Introductory Remarks. 8:05 AGFD 325. Fast and sensitive determination of lactose in low-lactose dairy products using HPAE-PAD/MS. M. Aggrawal, J. Rohrer

8:30 AGFD 326. Coffee aroma profiling with GC, GCxGC, and TOFMS. D. Alonso, E. Humston-Fulmer, J. Binkley, M.F. Merrick 8:55 AGFD 327. Quantum molecular dynamics and cheminformatics study of mycotoxin toxicity and detection to improve food safety. Y. Tu, Y. Tseng, M. Appell 9:20 Intermission. 9:30 AGFD 328. Determination of barbiturate drug residue levels in pet foods to ensure the safety of the foods we provide to our pets. J.P. McCauley 9:55 AGFD 329. FT-IR spectrophotometric screening of adulterants in honey. D.L. Sparks, C. Russell, D. Nakamura, S. Boone, A. Meredith, A.E. Brown 10:20 AGFD 330. Direct determination of cationic polar pesticides in baby food using ion chromatography and MS/MS or high resolution accurate mass spectrometry. T.T. Christison, J.E. Madden, J. Rohrer, J. Beck

SECTION B Boston Convention & Exhibition Center Room 104C

Chemistry & Health Benefits of Natural Foods & Beverages Cosponsored by AGFD K. G. Lee, Organizer Y. Kim, Organizer, Presiding H. Jang, Presiding 8:00 Introductory Remarks. 8:05 AGFD 331. Anti-obesity effects of green coffee bean and green tea in Caenorhabditis elegans. Y. Park, R. FariasPereira, Y. Peng, J. Liu, Y. Yue, P. Shen 8:30 AGFD 332. Effects of highland barley bran extract on the formation of Nɛ-carboxymethyllysine in biscuit samples. H. Liu, D. Zhang, J. Wang 8:55 AGFD 333. Analysis and formation of α-dicarbonyl compounds in Maillard reaction model systems and various alcoholic beverages. K.G. Lee 9:20 Intermission. 9:35 AGFD 334. Combinatorial optimization of natural components to enhance the physiological efficacy and reduce the hepatotoxicity. H. Chun 10:00 AGFD 335. Identification of key flavor compounds responsible for mulberry fruits dried in different temperatures using integrated flavor analysis techniques. M.K. Kim 10:25 AGFD 336. Chemical profiling and pharmacological potentials of the stem and fruit peel crude extracts of Citrus jambhiri grown in Nigeria. O.E. Ogunjinmi

SECTION C Boston Convention & Exhibition Center Room 253A

CRISPR Cosponsored by BIOL R. S. Tiwari, Organizer, Presiding 8:00 Introductory Remarks. 8:05 AGFD 337. CRISPR for biomedical application. J. Collins 8:40 AGFD 338. From CRISPR biology to technologies. C. Beisel, S. Collins 9:15 AGFD 339. Genome-scale activation screen identifies a lncRNA locus regulating a gene neighbourhood. J. Joung, J. Engreitz, E. Lander, F. Zhang 9:50 Intermission. 10:05 AGFD 340. Ensuring the food safety of the products of modern biotechnology: Applying FDA’s 1992 policy on food derived from new plant varieties from genetically engineered plant foods to developing technologies. R. Merker 10:40 AGFD 341. Oversight of plants produced using plant breeding innovations at USDA. J. Turner 11:15 AGFD 342. Precision gene editing in agriculture. G. Gocal, C. Schöpke, M. Knuth, D. Songstad, S. Sanders, N. Sauer, P. Beetham

SECTION E Boston Convention & Exhibition Center Room 253B

Value-Added Derivatives from Agro-Based Raw Materials New or Improved Biobased Materials or Bioprocesses Cosponsored by POLY M. Appell, Organizer A. Biswas, H. Cheng, Organizers, Presiding C. Osorio Roa, Presiding

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1:00 Introductory Remarks. 1:10 AGFD 303. Measurement of multimodal taste modulation over time. A. Feldmeyer 1:45 AGFD 304. Differentiation between flavors of sweet orange (Citrus sinensis) and mandarin (Citrus reticulata). S. Feng, F. Gmitter, Y. Wang 2:20 AGFD 305. Enjoyment in over the counter medications. K.D. Deibler 2:55 Intermission. 3:10 AGFD 306. Impact of bitter tastants on volatile flavor perception of coffee. A. Soldavini, S. Kokkinidou, J. Peterson, O. Auell, C.T. Simons, D.G. Peterson 3:45 AGFD 307. Flavor influences diet, but diet may also influence saliva, which in turn may influence flavor. C.A. Running 4:20 Concluding Remarks.

TECHNICAL PROGRAM

AGFD/AGRO 8:00 AGFD 343. Nomilin nanoparticles enhances the inhibition of α-amylase and angiotensin-converting-enzyme. G.K. Jayaprakasha, B. Patil, H. Shanmugam, P. Acharya 8:30 AGFD 344. High throughput electrospinning for the design of functional surfaces, nanocomposites and barrier structures made of biopolymers. J. Lagaron, S. Torres-Giner, C. Prieto, L. Cabedo, A. Cherpinski, B. Melendez, K. Figueroa 9:00 AGFD 345. Fat for the future: Designing multifunctional molecular oleogels. G. John, M. Samateh, S. Sagirii 9:30 Intermission. 9:50 AGFD 346. Value-added products from whey. M.H. Tunick 10:20 AGFD 347. Extraction and utilisation of bioactive monomeric phenolics and commercially valuable flavour precursors from grape waste. D. Barker, R. Jelley, L.I. Pilkington, B. Fedrizzi 10:50 AGFD 348. Tunable permeation of bio-based and biodegradable polyesters for agricultural applications. S. Bi, M.J. Sobkowicz 11:20 Concluding Remarks.

AGRO-SETAC Joint Symposium: Challenges of Utilizing Higher-Tier Ecotoxicity Data in Risk Assessment & Risk Management of Pesticides Sponsored by AGRO, Cosponsored by AGFD and ENVR

Chemistry & Health Benefits of Natural Foods & Beverages Cosponsored by AGFD

RNAi & Gene Editing: Utilization for Enhanced Crop Production Sponsored by AGRO, Cosponsored by AGFD and ANYL

Legal Aspects of Agriculture, Agrochemicals & Agribusiness Sponsored by AGRO, Cosponsored by AGFD and PROF

AGRO

Division of Agrochemicals J. Eble, Program Chair OTHER SYMPOSIA OF INTEREST: Cannabis Nanotechnology, Genetics & Innovative Trends in Cannabis Production (see CHAS, Mon, Wed) Chemical Toxicology of Nanomaterials (see TOXI, Mon) Advances in Quality Assurance & Regulatory Affairs: Impact on the Future of the Food & Drug & Agrochemical Industry (see BGMT, Wed) The Many Faces of CHAL: Where Chemistry Meets the Law (see CHAL, Wed) Water (The Greenest Solvent): Catalysis in Aqueous & Bi-Phase Systems (see CATL, Weds, Thu) SOCIAL EVENTS: Graduate Student Lunch, 11:45 AM: Mon Blues & Brews, 6:00 PM: Tue Awards Social, 6:00 PM: Wed BUSINESS MEETINGS: Business Meeting, 5:00 PM: Sun EVENTS: Vendors’ Session, 5:00 PM: Tue “Your AGRO” Mixer, 12:15 PM: Thu

SUNDAY MORNING SECTION A Boston Convention & Exhibition Center Room 204A

INSecticide TARgets (INSTAR) Summit New Targets & Chemistry T. Anderson, J. R. Bloomquist, T. C. Sparks, D. Swale, K. Y. Zhu, Organizers J. M. Clark, Organizer, Presiding K. D. Wing, Presiding 8:20 Introductory Remarks. 8:25 AGRO 1. Introduction, past, present and future of INSTAR summits. J.R. Bloomquist

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8:45 AGRO 2. Current status of new insecticide chemistry, targets, mode of action and the future. T.C. Sparks, B.A. Lorsbach, G.B. Watson, F. Wessels 9:10 AGRO 3. Perspectives on the identification and development of new insecticide targets. D. Swale 9:35 AGRO 4. Navigating the global regulatory landscape for crop protection products: Lessons learning and opportunities for the future. R. Rasoulpour 10:00 Intermission. 10:20 Panel Discussion. 12:00 Concluding Remarks.

SECTION B Boston Convention & Exhibition Center Ballroom East - Theater 2

Around the World with Pesticide Maximum Residue Levels Cosponsored by AGFD H. B. Irrig, C. Tiu, Organizers P. A. Brindle, Organizer, Presiding 8:15 Introductory Remarks. 8:20 AGRO 5. Pesticide regulation and trade: National and international considerations. J.E. Callahan 8:45 AGRO 6. Government of Canada initiatives for MRL alignment. P. Chan 9:10 AGRO 7. Global outlook on MRL harmonization: U.S. trade and international capacity building. A. Gore 9:35 AGRO 8. Challenges Pacific Northwest tree fruit producers have meeting MRL requirements when exporting fruit around the world. B. Madden 10:00 Intermission. 10:20 AGRO 9. Import pesticide tolerance pilot project. M. Doherty, D. Davis 10:45 AGRO 10. Progress on global crop grouping for extrapolation of pesticide residue studies and outcomes from the third Global Minor Use Summit. D. Kunkel, W. Barney, J. Baron 11:10 AGRO 11. Establishing Import MRLs: South Korea and Taiwan. L.A. Rossi 11:35 AGRO 12. Import MRLs in Japan: Snapshot of the positive list sytem. A. Aoki 12:00 Panel Discussion.

SECTION C Boston Convention & Exhibition Center Ballroom East - Theater 3

Environmental Fate, Transport & Modeling of Agriculturally-Related Chemicals S. H. Jackson, R. L. Warren, Organizers, Presiding 8:40 Introductory Remarks. 8:45 AGRO 13. Extractability of adsorbed organic chemicals using cations. D. Riggs 9:10 AGRO 14. What is extractability? Are non-extractable residues in our food supply? P. Reibach 9:35 AGRO 15. Benzobicyclon hydrolysate sorption coefficients in soils used for rice production. C.D. Willett, M.G. Sena, E.M. Grantz, K.R. Brye 10:00 Intermission. 10:20 AGRO 16. Environmental fate and impact assessment of thiobencarb application in California rice fields using RICEWQ. R. Wang, Y. Luo, H. Chen, Y. Yuan, R. Bingner, A. Pitchford, D. Denton, M.A. Locke, M. Zhang 10:45 AGRO 17. Accurately evaluating the photolytic fate of agrochemicals in natural waters. J. Apell, K.P. McNeill 11:10 AGRO 18. Transformation products of 2,4-D sunlight photolysis in simulated leaf surface systems. L. Su, N. Dai, J.D. Sivey 11:35 AGRO 19. Web-based access to experimental and predicted data for environmental fate, transport and toxicity data. A.J. Williams, T. Martin, V. Tkachenko, K. Mansouri, C. Grulke 12:00 Concluding Remarks.

8:20 AGRO 20. Framework for tiered endangered species assessments. S. Teed, K. Henry, S. Mortensen, L. Ortego, M. Winchell, T. Hall, N.J. Snyder, M. Dobbs, N. Peranginangin, J. Collins 8:45 AGRO 21. Estimation of annual agricultural pesticide use. W.W. Stone 9:10 AGRO 22. Incorporating usage data to identify areas where pesticide exposure to listed species is most likely to occur. K. Garber, J. Connolly, S. Lennartz, M. Panger, C. Peck, C. Rossmeisl, W.P. Eckel, B. Anderson 9:35 AGRO 23. FESTF Gopher: Improving data management, accessibility, and use. A. Frank, B. McGaughey, T. Hall, L. Ghebremichael 10:00 Intermission. 10:20 AGRO 24. Tools for evaluating indirect effects of pesticides for informed management decisions. S. McGee, T. Hall, M. Dobbs, M. McCoole 10:45 AGRO 25. Weight-of-evidence pesticide assessments for threatened and endangered species to inform management decisions. D. Moore 11:10 AGRO 26. Voluntary conservation: Benefit and cost considerations for stewardship programs. L. Duzy, B. McGaughey 11:35 AGRO 27. Creating environmentally resilient agriculture landscapes using precision agriculture technology: An economic perspective. M.D. McConnell 12:00 Discussion. 12:10 Concluding Remarks.

SECTION E Boston Convention & Exhibition Center Ballroom East - Theater 5

How Can Advances in Chemistry Improve Human Health Exposure Assessment? Cosponsored by ENVR P. Price, C. Terry, Organizers, Presiding 9:05 Introductory Remarks. 9:10 AGRO 28. Using publicly available data and quantitative models of uncertainty to characterize composition of consumer products in a simulation model of chemical exposure. P. Price, K. Dionisio, K. Isaacs, K. Phillips 9:35 AGRO 29. Leveraging chemistry data to improve exposure analyses using the EPA’s CompTox Chemistry Dashboard. A. McEachran, K. Phillips, K. Isaacs, S. Newton, J. Sobus, C. Grulke, A.J. Williams 10:00 Intermission. 10:20 AGRO 30. Spatial and temporal modeling of potential residential bystander exposures associated with the use of agricultural chemicals. J. Yan, J.H. Driver, I. van Wesenbeeck 10:45 AGRO 31. Integrating pharmaco*kinetic considerations with dose-response data to support risk-based chemical safety assessment. C. Tan, J. Leonard 11:10 AGRO 32. Building a more relevant bridge: Interspecies extrapolation based on real-world exposure conditions. C. Fleming, P.L. Havens 11:35 Discussion. 11:50 Concluding Remarks.

Functional Foods Their Novel Biofunctions & Underlying Mechanisms Sponsored by AGFD, Cosponsored by AGRO

Water Reuse & Recycling: Innovative Solutions for Treatment & Implementation Sponsored by ENVR, Cosponsored by AGRO and I&EC

Assessing Risk, Providing Benefit: Making Informed Decisions in Endangered Species Pesticide Risk Management Cosponsored by AGRO

Waste to Product: Biological & Physicochemical Resource Recovery & Efficiency

SECTION D

Sponsored by ENVR, Cosponsored by AGRO, ENFL and I&EC

Boston Convention & Exhibition Center Ballroom East - Theater 4

SUNDAY AFTERNOON

Assessing Risk, Providing Benefit: Making Informed Decisions in Endangered Species Pesticide Risk Management Cosponsored by AGRO P. Ashfield, M. Dobbs, G. Hall, L. Honey, B. McGaughey, C. Tortorici, Organizers D. D. Campbell, Organizer, Presiding B. Anderson, Presiding 8:15 Introductory Remarks.

SECTION A Boston Convention & Exhibition Center Room 204A

INSecticide TARgets (INSTAR) Summit Resistance Management T. Anderson, J. R. Bloomquist, J. M. Clark, T. C. Sparks, D. Swale, Organizers K. Y. Zhu, Organizer, Presiding W. Moar, Presiding

SECTION B Boston Convention & Exhibition Center Ballroom East - Theater 2

Around the World with Pesticide Maximum Residue Levels Cosponsored by AGFD P. A. Brindle, C. Tiu, Organizers H. B. Irrig, Organizer, Presiding 1:00 Introductory Remarks. 1:05 AGRO 37. Uncertainties maximum residue levels create for the global movement of grains and oilseeds. G. Flanley 1:30 AGRO 38. Effect of the hazard-based cut-off criteria on agriculture exports to the European Union. M. Lantz, K. Berry 1:55 AGRO 39. New tools for finding potential solutions for differential MRLs and for growers’ needs in the area of pests and diseases. F. Schuster 2:20 AGRO 40. Pesticides residue regulations governing U.S. commodity imports. N. Mitchell, M. Basu 2:45 Intermission. 3:05 AGRO 41. IESTI update: How a review of dietary exposure methodologies can best support global MRLs. C.B. Cleveland 3:30 AGRO 42. Benchmarking proposed changes to the international estimated short-term intake (IESTI) model for acute exposure to pesticides. C. Fleming 3:55 AGRO 43. APEC tools for import maximum residue limits (MRLs). R. McAllister, C. Tiu, P.A. Brindle 4:20 AGRO 44. Postharvest fumigants: Global MRL progress & challenges. S.S. Walse 4:45 Panel Discussion.

SECTION C Boston Convention & Exhibition Center Ballroom East - Theater 3

Environmental Fate, Transport & Modeling of Agriculturally-Related Chemicals S. H. Jackson, R. L. Warren, Organizers, Presiding 1:00 Introductory Remarks. 1:05 AGRO 45. Preliminary assessment of residual herbicide concentrations in tailwater recovery systems. E. Grantz, C.D. Willett, M. Reba, D. Milholen, D. Leslie 1:30 AGRO 46. Off-site transport of pesticides with runoff from golf course fairway turf: An evaluation of creeping bentgrass versus a fine fescue mixture. P.J. Rice, B.P. Horgan, J.L. Hamlin 1:55 AGRO 47. How can risk management practices be considered in regulatory risk assessments: Reducing pesticide transport via surface run-off and soil erosion? S. Sittig, D. Baets, R. Sur 2:20 AGRO 48. Summer fertigation of dairy slurry reduces subsurface drainage nitrate losses compared to fall injection. J.D. Gamble, G.W. Feyereisen, S.K. Papiernik, C.D. Wente, J.M. Baker 2:45 Intermission. 3:05 AGRO 49. Soil carryover residue modeling to support safe product use to rotational crops. N. Peranginangin, D. Porter, G. Vail, D. Cheryl, D. Mao 3:30 AGRO 50. Refined land cover for improving the confidence of pesticide risk assessments. D. Perkins, J. Amos 3:55 AGRO 51. Ecoregion similarities of field trials– Comparison of field degradation data of some pesticides from New Zealand, Chile and Europe. B. Gottesburen, H. Bayer, K. Platz, F. Donaldson, J. Goulet Fortin 4:20 Concluding Remarks.

SECTION D Boston Convention & Exhibition Center Ballroom East - Theater 4

Assessing Risk, Providing Benefit: Making Informed Decisions in Endangered Species Pesticide Risk Management

Assessing Risk, Providing Benefit: Making Informed Decisions in Endangered Species Pesticide Risk Management

Cosponsored by AGRO P. Ashfield, D. D. Campbell, G. Hall, L. Honey, C. Tortorici, Organizers M. Dobbs, B. McGaughey, Organizers, Presiding 1:00 Introductory Remarks. 1:05 AGRO 52. Proactive conservation facilitated through section 7(a)(1) of the Endangered Species Act. P. Ashfield, K. Bissell 1:30 AGRO 53. Leveraging national compensatory mitigation conservation offset strategies to pro-actively address endangered species section 7 authorized take of residual, unavoidable impacts permitted within national scale pesticide biological opinions. W. White, J. Bickel, N.J. Snyder, M. Kern 1:55 AGRO 54. Addressing agricultural pollutants in the Little Arkansas River using best management practices. R.W. Graber 2:20 AGRO 55. Wisconsin “Healthy Grown” Program: Research, innovation and implementation of high-bar, wholefarm production systems with certification for potatoes, carrots and onions. J. Barzen, D. Knuteson 2:45 Intermission. 3:05 AGRO 56. Providing habitat for pollinators and the monarch butterfly (Danaus plexippus) using in-field and edge of field conservation practices. S. Bradbury 3:30 AGRO 57. Rusty-patched bumble bee habitat restoration in Northeast Iowa: Meeting multiple conservation objectives in a working landscape. L.L. Richardson, D.D. Campbell, B. Sacher, C. Savinelli, J.P. Hanzas, P. Berthelsen, S. Appelgate, S.P. Bradbury 3:55 AGRO 58. Evaluation of applied, cross-sector vegetative best management practices in rights-of-way on pollinators. F. Abi-Akar, D. Perkins, J. Amos, A. Schmolke, S. Vera-Art, I. Caldwell 4:20 AGRO 59. Discussion session: Reflection on the day’s information. B. McGaughey 4:45 Discussion. 4:55 Concluding Remarks.

Cosponsored by AGRO

SECTION E Boston Convention & Exhibition Center Ballroom East - Theater 5

Innovations in Chemistry Supporting Strategic Human Health Risk Assessments Cosponsored by CHAS and TOXI A. Clippinger, S. Papineni, Organizers, Presiding 1:00 Introductory Remarks. 1:05 AGRO 60. Multi-stakeholder collaborations to advance non-animal approaches for testing agrochemical formulations. A. Clippinger 1:30 AGRO 61. Predictive toxicological approaches: Development, challenges, and applications. J.R. Damewood 1:55 AGRO 62. How a problem formulation process helped refine inhalation risk assessment for plant protection products. T.S. Ramanarayanan, D.C. Wolf, P. Hinderliter, S. Flack, B. Parr-Dobrzanski, A. Charlton, S. Pyles 2:20 AGRO 63. Using high-throughput pharmaco*kinetic simulation and in silico property estimates to anticipate mammalian toxicity. R.D. Clark, M.S. Lawless, P.R. Daga 2:45 Intermission. 3:05 AGRO 64. Integration of toxico*kinetics in agrochemical toxicity testing. S. Papineni 3:30 AGRO 65. Regulatory perspective: Human health risk assessment for pest control products and reduction in animal use. P. Chan 3:55 AGRO 66. Inadvertent residues: Food handling uses & emerging regulations. C. Tiu 4:20 AGRO 67. In vitro studies with human intestinal epithelial cell line monolayers for protein hazard characterization. B. Delaney 4:45 Discussion. 4:55 Concluding Remarks.

Functional Foods Their Novel Biofunctions & Underlying Mechanisms Sponsored by AGFD, Cosponsored by AGRO

Water Reuse & Recycling: Innovative Solutions for Treatment & Implementation Sponsored by ENVR, Cosponsored by AGRO and I&EC

Chemistry of Struvite & Slow Release Fertilizers: From Fundamentals of Crystal Growth to Engineered Nutrient Recovery & Their Release Sponsored by ENVR, Cosponsored by AGRO

Waste to Product: Biological & Physicochemical Resource Recovery & Efficiency Sponsored by ENVR, Cosponsored by AGRO, ENFL and I&EC

SUNDAY EVENING Chemistry, Flavor & Health Effects of Teas Sponsored by AGFD, Cosponsored by AGRO

Diet, Health & Gut Microbiome Sponsored by AGFD, Cosponsored by AGRO, BIOL, CARB and CELL

MONDAY MORNING SECTION A Boston Convention & Exhibition Center Room 204A

Role of P450s in Broad-Spectrum Multiple Herbicide Resistance in Weeds: Symposium Honoring Stephen Powles Cosponsored by AGFD and ANYL T. Gaines, Organizer, Presiding 8:05 Introductory Remarks. 8:15 AGRO 68. My 33 years trying to understand P450 endowed herbicide resistance in multi-resistant Lolium. S. Powles 9:05 AGRO 69. The evolution and management of nontarget site resistance. P. Neve 9:30 AGRO 70. Fighting weed resistance - how Steve Powles helped us get innovation back on track. M. Busch 9:55 Intermission. 10:15 AGRO 71. Role of xenobiotic detoxification in nontarget site herbicide resistance in weeds. N. Onkokesung, A. Goldberg Cavalleri, C. Tetard-Jones, M. Brazier-Hicks, R. Edwards 10:40 AGRO 72. What roles for metabolism-based resistance to pre-emergent herbicides in Lolium rigidum. D. Brunton, B. Fleet, P. Boutsalis, J. Malone, C. Preston 11:05 AGRO 73. Genomics to characterize Cyt P450 function in herbicide metabolic resistance: A review of recent works. R.S. Beffa 11:30 AGRO 74. Differences in P450-mediated metabolic resistance mechanisms to triketone and pyrazole HPPD-inhibiting herbicides in Amaranthus tuberculatus. D.E. Riechers, A.V. Lygin, J. Morris, E. McIndoe, S.S. Kaundun 11:55 Concluding Remarks.

SECTION B Boston Convention & Exhibition Center Ballroom East - Theater 2

Pesticide Spray Drift: Application, Evaluation & Mitigation Cosponsored by ANYL and ENVR Financially supported by Stone Environmental, Inc. J. W. Perine, H. Thistle, Organizers, Presiding 9:00 Introductory Remarks. 9:05 AGRO 75. Measuring spray drift from aerial application using horizontal and vertical collectors in a field experiment. U. Antuniassi, R.G. Chechetto, J.A. Cunha, A.A. Mota, F.K. Carvalho 9:30 AGRO 76. Estimating appropriate buffer distances to mitigate environmental risk of spray drift using field data and computer automation. S. Castro-Tanzi, L. Padilla, J.M. Brausch, M. Winchell, J.P. Hanzas 9:55 Intermission. 10:15 AGRO 77. Using AGDISP to assess bystander exposure to pesticide spray drift: A California example. W. Jiang, T.A. Barry 10:40 AGRO 78. Influence of operational and environmental conditions on spray deposition, uniformity and transport with remotely-piloted aerial spray systems (RASS). J. Bonds, X. He, C. Wang, A. Herbst 11:05 AGRO 79. Computational fluid dynamics modelling for plant canopy interception of pesticide spray droplets. L. Padilla, S. Grant, J. Dunne, J.W. Perine, M. Ledson

81

TECHNICAL PROGRAM

1:00 Introductory Remarks. 1:05 AGRO 33. Current status of insecticide resistance in insect vectors. H.V. Pates Jamet 1:30 AGRO 34. One health approach to resistance management. T.D. Anderson 1:55 AGRO 35. Insecticide resistance and management of malaria vectors. M.J. Paine 2:20 AGRO 36. Changes in neuronal signaling and cell stress response pathways are associated with a multigenic response of Drosophila melanogaster to DDT selection. K. Seong, B. Coates, W. Sun, J.M. Clark, B. Pittendrigh 2:45 Intermission. 3:05 Panel Discussion. 4:35 Concluding Remarks.

TECHNICAL PROGRAM

AGRO 11:30 AGRO 80. Relative importance of droplet drift versus vapor drift in terms of deposition. D.A. Sullivan, D. Hlinka, R.D. Sullivan 11:55 Concluding Remarks.

SECTION C Boston Convention & Exhibition Center Ballroom East - Theater 3

Fate & Metabolism of Xenobiotics: In Vitro & In Silico Studies Cosponsored by AGFD, ANYL and ENVR K. Lynn, K. Myung, M. Zhang, Organizers X. Zhou, Organizer, Presiding 9:00 Introductory Remarks. 9:05 AGRO 81. Early phase metabolism studies to identify compounds that could be toxic to bees. P. Cassidy 9:30 AGRO 82. Approaches of leveraging In Vitro metabolism assays to support animal nature of residue studies and safety assessment of agrochemicals. X. Zhou, M. Ma, Y.A. Adelfinskaya, A. Brown, T.K. Trullinger, L. Buchholz 9:55 Intermission. 10:15 AGRO 83. In-vitro biotransformation of an avicide. D.A. Goldade 10:40 AGRO 84. Synthesis, biological evaluation, and enzymatic activity of the endophenazines and analogues. M. Conda-Sheridan, V.R. Udumula, K. Maddeboina, N. Rodrigues de Almeida, J. Jiang, L. Du 11:05 AGRO 85. Stability and biological activities of pharmaceuticals and personal care products in open water bodies: Roles of environmental factors. G. Rubasinghege, R. Gurung, H.N. Rijal, S. Maldonado-Torres, A. Chan, S. Rogelj, M.E. Piyasena 11:30 AGRO 86. Machine learning models for the prediction of xeniobiotic metabolism. C. de Bruyn Kops, M. Šícho, W. Plonka, A. Mazzolari, N. Kochev, N. Jeliazkova, A. Pedretti, D. Svozil, B. Testa, G. Vistoli, J. Kirchmair 11:55 AGRO 87. Structure-stability relationships of tetrahydroisoquinoline-containing CXCR4 antagonists and lipid prodrugs of tenofovir in liver microsomes. E.J. Miller, N. Pribut, M. D’Erasmo, B. Iskandar, M. Kim, K. Giesler, J. Marengo, R. Wilson, Y. Tahirovic, E. Jecs, H. Nguyen, L. Wilson, D. Liotta 12:20 Concluding Remarks.

9:30 AGRO 95. New catalytic reactions for agroscience. J.F. Hartwig 9:55 Intermission. 10:15 AGRO 96. Process route scouting of X087, a picolinamide fungicide. F. Li, N. Choy, K. Bravo, G.T. Whiteker 10:40 AGRO 97. Development of fluorination reactions: Collaboration between the University of Michigan and The Dow Chemical Company. M. Cismesia, S.D. Schimler, D.C. Bland, M.S. Sanford 11:05 AGRO 98. A novel enzymatic process to produce active L-glufosinate from inactive D-glufosinate. B. Green, M. Oberholzer, S. Fields 11:30 Discussion. 11:55 Concluding Remarks.

Chemistry, Flavor & Health Effects of Teas Chemistry Sponsored by AGFD, Cosponsored by AGRO

Growing with Project SEED: 50 years and 10,000+ Students Sponsored by PRES, Cosponsored by AGFD, AGRO, ANYL, BIOL, BMGT, CARB, CINF, COLL, ENFL, ENVR, HIST, I&EC, ORGN, PROF and SCHB

Applied Nanotechnology for Food & Agriculture Sponsored by AGFD, Cosponsored by AGRO

Environmental Health & Safety of Emerging Chemicals & Technologies Sponsored by ENVR, Cosponsored by AGRO‡, ANYL and CEI

Waste to Product: Biological & Physicochemical Resource Recovery & Efficiency Sponsored by ENVR, Cosponsored by AGRO, ENFL and I&EC

Boston Convention & Exhibition Center Ballroom East - Theater 3

SECTION A

Environmental Study Design: Current & Emerging Guidelines to Fulfill Regulatory Needs

Boston Convention & Exhibition Center Room 204A

Role of P450s in Broad-Spectrum Multiple Herbicide Resistance in Weeds: Symposium Honoring Stephen Powles

Cosponsored by CHAS and ENVR A. M. Ritter, Z. Tang, Organizers, Presiding 9:00 Introductory Remarks. 9:05 AGRO 88. Kinetic evaluation of environmental fate studies. Z. Tang, D.G. Dyer, C. Hassinger 9:30 AGRO 89. Modeling chemical partitioning at the water-sediment interface. W.M. Williams, A.M. Ritter 9:55 Intermission. 10:15 AGRO 90. Analysis of spatial data to reduce the uncertainty of pesticide spray drift contributions to aquatic exposure at the watershed scale. M. Winchell, H. Rathjens, P. Whatling 10:40 AGRO 91. Pesticides in flooded applications model (PFAM) ecological modeling sensitivity and the impact of a receiving water body on ecological estimated environmental concentrations. A.M. Ritter, W.M. Williams 11:05 AGRO 92. Assessing the impact of distributional analysis in drinking water exposure assessments. A.Z. Szarka, S. Grant, M. Grunenwald, T.S. Ramanarayanan 11:30 AGRO 93. Probabilistic dietary assessment technique for refining combined milk residues resulting from livestock dietary burden sources with milk residues resulting from insecticide-impregnated ear tags to mitigate potential acute dietary exposures. M. Grunenwald, A.Z. Szarka, M. Fletcher 11:55 Concluding Remarks.

SECTION E

SECTION B

Boston Convention & Exhibition Center Ballroom East - Theater 5

Boston Convention & Exhibition Center Ballroom East - Theater 2

Process Research & Development in Crop Protection

Uses of Mass Spectrometry in Agricultural Research & Development: New Trends & Best Practices

Boston Convention & Exhibition Center Ballroom East - Theater 4

Reducing Uncertainty in Modeling the Environmental & Human Health Exposure to Agrochemicals

Q. Yang, Organizer, Presiding 9:00 Introductory Remarks. 9:05 AGRO 94. Evaluation of potential safety hazards associated with the Suzuki-Miyaura cross-coupling of aryl bromides with vinylboron species. Q. Yang, B. Canturk, K. Gray, E. McCusker, M. Sheng, F. Li

82

SECTION C

MONDAY AFTERNOON

Cosponsored by AGFD and ANYL T. Gaines, Organizer, Presiding 1:00 Introductory Remarks. 1:05 AGRO 99. Metabolic degradation of glyphosate and glyphosate tolerance and resistance. S.O. Duke 1:30 AGRO 100. Gene expression hotspots in herbicideresistant waterhemp (Amaranthus tuberculatus). P. Tranel, D. Giacomini, T. Gaines, R.S. Beffa 1:55 AGRO 101. Mechanism of multiple-herbicide resistance in Echinochloa phyllopogon. S. Iwakami 2:20 AGRO 102. Multiple herbicide resistance in Iowa waterhemp is the norm: Implications of multiple resistances on fitness, resistance mechanisms and future management. M.D. Owen, E. Jones, D. Kohlhase 2:45 Intermission. 3:05 AGRO 103. Identification of genes involved in metabolism-based tembotrione resistance in Palmer amaranth (Amaranthus palmeri). A. Kuepper, D. Giacomini, P. Tranel, R.S. Beffa, T. Gaines 3:30 AGRO 104. 2,4-D metabolic resistance occurs via a P450-mediated hydroxylation reaction in waterhemp (Amaranthus tuberculatus). M.R. Figueiredo, F. Dayan, P. Tranel, S. Nissen, P. Westra, M. Bernards, G. Kruger, M. Jugulam, T. Gaines 3:55 AGRO 105. Cytochrome P450s and multiple resistance in Amaranthus palmeri and Echinochloa colona. N. Burgos, C. Rouse, R.A. Salas-Perez, R. Noorai, A. Lawton-Rauh, L. Fan, J. Qiu, C. Saski 4:20 AGRO 106. Pyroxasulfone resistance mediated by enhanced metabolism in Lolium rigidum. T. Gaines, R. Busi, A. Porri, S. Powles 4:45 Discussion.

SECTION D

1:05 AGRO 107. Consensus ranking and fragmentation prediction for identification of unknowns in high resolution mass spectrometry. A. McEachran, H. Al-Ghoul, I.A. Balabin, T. Cathey, J. Sobus, A.J. Williams 1:30 AGRO 108. Analysis of anionic phosphorus species and isotope dilution measurement of phosphate in surface water samples. V.I. Furdui, V. Packa, N. Diep, T. Howell, V. Bostan, S. Maedler, R.J. Tooley 1:55 AGRO 109. High resolution mass spectrometry applications in the identification of polar environmental metabolites to support development of new agricultural products. Y. Adelfinskaya, J.R. Gilbert, J. Balcer, J.A. Godbey, J.A. Taylor 2:20 AGRO 110. Targeted and untargeted metabolomics to resolve bitter off-taste challenges in carrots (Daucus carota L.). C. Dawid, S. Baur, A. Dunkel, T. Nothnagel, D. Ulrich, F. Dunemann, B. Singldinger, T. Hofmann 2:45 Intermission. 3:05 AGRO 111. Comprehensive pesticide analysis by SWATH® and MRM-HR acquisition using the SCIEX X500R QTOF high resolution accurate mass spectrometer. C. Butt, R. Di Lorenzo, C. Borton 3:30 AGRO 112. Method development for analysis of picloram in compost. K. Kuppannan, S. Ring, J. Walter, K. Smith, Y. Ding, M. Hastings 3:55 AGRO 113. Use of modern MS techniques and informatics to support agricultural research and a pragmatic approach to contaminant screening. G. Cleland 4:20 AGRO 114. Combining sample clean-up techniques and high resolution LC-MS, with software manipulation, for metabolite identification in support of agrochemical product development. J. O’Neill 4:45 Concluding Remarks.

Cosponsored by AGFD, ANYL and ENVR J. Ferguson, Organizer J. Balcer, Organizer, Presiding 1:00 Introductory Remarks.

Cosponsored by ENVR H. Adusumilli, A. Chen, X. Huang, K. Malekani, E. Nfon, Q. Yao, Organizers, Presiding 1:00 Introductory Remarks. 1:05 AGRO 115. Challenges and approaches on the conduct of aqueous photolysis studies: Case study for a low solubility compound producing volatile organics and polar unknown degradates. M. Chandrashekhar, M. Ponte 1:30 AGRO 116. Study design and conduct of surface water mineralization in either dark or diffuse light with optional inclusion of sediment. R. Lomax, M. Ponte 1:55 AGRO 117. Designing experiments to support USDA National Conservation Practice Standards and air quality guidelines. Q. Yao, H. Li, M.D. Buser, J.G. Alfieri, Z. Yang, J.D. Wanjura, P.M. Downey, C. Zhang, C. Craige, A. Torrents, L.L. McConnell, G.A. Holt, C.J. Hapeman 2:20 AGRO 118. Describing aged sorption behavior of pesticide in soil field dissipation studies via inverse modeling. X. Huang 2:45 Intermission. 3:05 AGRO 119. Guideline adsorption/desorption study design and approaches to adsorption coefficient determination. T. Siyoum 3:30 AGRO 120. Enhanced laboratory techniques for the evaluation of persistence. S.P. McLaughlin 3:55 AGRO 121. Transformation of organic chemicals in aquatic sediment systems (OECD 308) under simulated natural sunlight. C. Wijntjes, D. Adam, W. Völkel, S. Höger 4:20 AGRO 122. Understanding the behavior of herbicide residues in composts with small scale composting and bioassay tests. Y. Ding, D.E. Barnekow, T. Jones-Jefferson, J. McFadden, K. Kuppannan, I. van Wesenbeeck, T.K. Trullinger, A. Latham, L. Buchholz 4:45 Concluding Remarks.

SECTION D Boston Convention & Exhibition Center Ballroom East - Theater 4

Vector-Borne Diseases: Role of Chemistry in Managing Risks to Humans, Domestics Animals, Aquaculture & Wildlife A. D. Gross, D. Swale, W. M. Williams, Organizers, Presiding 1:00 Introductory Remarks. 1:05 AGRO 123. Mode of action of insecticides and repellents. V.L. Salgado 1:55 AGRO 124. Vapor phase repellents: New methods, chemistry, and mechanisms of action. L. Yang, Y. Liu, U.R. Bernier, M. Tsikolia, K. Linthicum, J.R. Bloomquist

SECTION E Boston Convention & Exhibition Center Ballroom East - Theater 5

Process Research & Development in Crop Protection Q. Yang, Organizer, Presiding 1:25 Introductory Remarks. 1:30 AGRO 130. Commercialization of natural products from discovery via microbial fermentation processes. P. Maddipati, C. Stowers, M.R. Mikola 1:55 AGRO 131. Use of green chemistry principles in the design of crop protection processes and products. G.T. Whiteker 2:20 AGRO 132. Selective liquid phase hydrogenation of p-hydroxybenzyl cyanide over a supported Pd catalyst. M. McAllister, C. Boulho, C. Brennan, D. Lennon 2:45 Intermission. 3:05 AGRO 133. Simple and highly effective mono-ligated arylpalladacycle complexes for Suzuki cross coupling reactions. C. Zhang, S. Tu, K. Ogawa, J. Ringer, C. Derstine, C. Zu 3:30 AGRO 134. Development of scalable Sn-catalyzed regioselective allylation of 1-methyl-L-α-rhamnopyranoside. X. Li, Q. Yang, C. Deamicis 3:55 Discussion. 4:20 Concluding Remarks.

Chemistry, Flavor & Health Effects of Teas Bioactivity Sponsored by AGFD, Cosponsored by AGRO

Get Published: Panel Discussion with JAFC Editors Sponsored by AGFD, Cosponsored by AGRO

Environmental Health & Safety of Emerging Chemicals & Technologies Sponsored by ENVR, Cosponsored by AGRO‡, ANYL and CEI

MONDAY EVENING SECTION A Boston Convention & Exhibition Center Exhibit Hall B2/C

Sci-Mix J. E. Eble, Organizer 8:00 – 10:00 274-278, 282-284, 286-289, 293, 297, 299, 304, 306, 308312, 317, 320-323, 330-332, 345-346, 350-351, 355-360. See subsequent listings.

TUESDAY MORNING SECTION A Boston Convention & Exhibition Center Room 204A

Synthesis & Chemistry of Agrochemicals ACS Industrial Chemistry Award Symposium in honor of George P. Lahm Cosponsored by AGFD, ENVR, I&EC‡ and ORGN S. Tyagi, Organizer T. M. Stevenson, Organizer, Presiding 8:05 Introductory Remarks. 8:10 AGRO 135. Synthetic studies toward ryanodol, ryanodine, and related insecticidal natural products. S.E. Reisman 9:00 AGRO 136. Award Address (ACS Award in Industrial Chemistry sponsored by the ACS Division of Industrial and Engineering Chemistry). Strategies in the discovery of new insecticides and nematicides: A career perspective. G.P. Lahm 9:50 Intermission.

10:10 AGRO 137. Discovery and development of Simparica® (Sarolaner): A novel companion animal isoxazoline parasiticide. D. Billen 10:35 AGRO 138. Optimization of mesoionic pyrido[1,2-a] pyrimidinone insecticide and discovery of dicloromezotiaz. W. Zhang, C.W. Holyoke, K.A. Hughes, M. Tong 11:00 AGRO 139. Novel insecticidal bifenazate derivatives. W. von Deyn, B. Wedel 11:25 Concluding Remarks.

SECTION B Boston Convention & Exhibition Center Ballroom East - Theater 2

Agricultural Based Natural Products as Biorational Pesticides Cosponsored by AGFD J. J. Beck, C. C. Rering, Organizers S. O. Duke, Organizer, Presiding 8:05 Introductory Remarks. 8:10 AGRO 140. Fungal and plant phytotoxins as tool for legume crops protection. A. Cimmino, M. Masi, D. Rubiales, M. Vurro, A. Evidente 8:35 AGRO 141. Antibacterial metabolites from Alternaria alternate ZHJG5, an endophytic fungus in Cercis chinensis. S. Zhao, L. Cao, W. Yan, Y. Ye 9:00 AGRO 142. Role of a multiactive bio-organic substance on protection and yield of rice crop. S. Pathare, M. Bapat 9:25 AGRO 143. A new furanocoumarin from leaves of Amyris elemifera with antifungal and phytotoxic activities. A.K. Bracken, K.M. Meepagala, D.E. Wedge, S.O. Duke 9:50 Intermission. 10:10 AGRO 144. Mode of action of spliceostatin C, a potent herbicidal compound from a microbe. S.O. Duke, L.G. Boddy, Z. Pan, J. Bajsa-Hirschel 10:35 AGRO 145. Mosquitocidal constituents from plant pathogenic fungi. K.M. Meepagala, A.S. Estep, J.J. Becnel 11:00 AGRO 146. Discovery and development of phytochemical phytotoxins for weed management. C.L. Cantrell, S.O. Duke 11:25 Concluding Remarks.

SECTION C Boston Convention & Exhibition Center Ballroom East - Theater 3

Vector-Borne Diseases: Role of Chemistry in Managing Risks to Humans, Domestics Animals, Aquaculture & Wildlife A. D. Gross, D. Swale, W. M. Williams, Organizers, Presiding 8:05 Introductory Remarks. 8:10 AGRO 147. Use of acaricides for integrated management of the black-legged tick: Current science and new opportunities. A. Li 8:35 AGRO 148. Inward Rectifier Potassium (Kir) Channels: An emerging target for the control of tick populations and tick-vectored pathogens. D. Swale 9:00 AGRO 149. Genomics and reverse vaccinology research for the integrated use of anti-tick vaccines to manage ticks and tick-borne diseases. A.A. Pérez de León, F.D. Guerrero, R.J. Miller 9:25 AGRO 150. Evolution of insecticide resistance is unpredictable: Lessons learned from the Drosophila Genetic Reference Panel. D. Duneau, H. Sun, P. Messer, N. Buchon, J.G. Scott 9:50 Intermission. 10:10 AGRO 151. Transcript expression changes of cytochrome P450 and ABC transporters in Aedes aegypti due to age, sex, and pyrethroid-resistance status. L. Rault, S. O’Neal, E. Johnson, T. Anderson 10:35 AGRO 152. Overcoming insecticide resistance: Inhibiting ABC transporters as a means to increase insecticide efficacy. T.D. Anderson 11:00 AGRO 153. Characterizing permethrin and etofenprox resistance in two laboratory strains of Anopheles gambiae. A.D. Gross, J.R. Bloomquist 11:25 Concluding Remarks.

SECTION D Boston Convention & Exhibition Center Ballroom East - Theater 4

Joint Reviews for New Pesticides: Success Stories, Challenges & Future Prospects Cosponsored by AGFD Financially supported by Corteva Agriscience, CropLife America, Syngenta, Bayer CropScience, ISK Biosciences, BASF L. Rossi, Organizer R. de Moraes, K. D. Racke, Organizers, Presiding

8:05 Introductory Remarks. 8:10 AGRO 154. Joint reviews of new pesticide active ingredients: A historical perspective. L.A. Rossi 8:35 AGRO 155. Trends in agrochemical product introduction. M. Phillips, J. McDougall 9:00 AGRO 156. Industry 10-year retrospective view of joint reviews (2008-2017) for conventional active ingredients. J. Abbott, R. McAllister, C. DeMarco 9:25 AGRO 157. Flupyradifurone (SiVanto): A registrant’s experience with benefits for MRL harmonization through pesticide global joint review. C. Sanson, J. Huang 9:50 Intermission. 10:10 AGRO 158. Global joint reviews: An Isoclast (sulfoxaflor) and Zorvec (oxathiapiprolin) perspective. T. Carski, N. Simmons 10:35 AGRO 159. Global joint reviews: BASF success stories and key benefits. M. Safarpour, J. Murray, T. Mahl 11:00 AGRO 160. Recent experience of a registrant with joint review of new agrochemicals. M.F. Leggett 11:25 Concluding Remarks.

SECTION E Boston Convention & Exhibition Center Ballroom East - Theater 5

Non-Extractable Residue (NER) Bio-Accessibility & Potential Risks Cosponsored by ANYL and ENVR M. Kastner, M. Telscher, Organizers M. Zhang, Organizer, Presiding 8:05 Introductory Remarks. 8:10 AGRO 161. Classification and modelling of nonextractable residues (NER) formation from pesticides in soil. M. Kaestner, K. Nowak, A. Brock, M. Anja, A. Schaeffer, S. Trapp 8:35 AGRO 162. Formation and stability of non-extractable residues (NER) of phenolic emerging pollutants in soil. R. Ji, F. Li, S. Wang, F. Sun, J. Liu, J. Gu, Y. Ma 9:00 AGRO 163. Correlation between solvent extractability and bioavailability of benzo(a)pyrene in 19 soils measured in juvenile swine. L. Duan, R. Naidu, K.T. Semple 9:25 AGRO 164. Nature and bioavailability of nonextractable soil residues of the herbicide cloransulam-methyl. G. Sims 9:50 Intermission. 10:10 AGRO 165. Not extractable residues (NER): How extractable are they? M.J. Telscher 10:35 AGRO 166. Remobilisation of ‘non-extractable’ Benzo[a]pyrene residues in contrasting Australian soils. A. Umeh, L. Duan, K.T. Semple, R. Naidu 11:00 AGRO 167. Characterization of non-extractable residues in famoxadone degradation via kinetics modelling. A.K. Sharma 11:25 Concluding Remarks.

Chemistry, Flavor & Health Effects of Teas Bioactivity Sponsored by AGFD, Cosponsored by AGRO

Novel Treatment Approaches for Emerging Contaminants in Groundwater Systems Sponsored by ENVR, Cosponsored by AGRO‡, ANYL and GEOC

Sterling Hendricks Memorial Lectureship Sponsored by AGFD, Cosponsored by AGRO

TUESDAY AFTERNOON SECTION A Boston Convention & Exhibition Center Room 204A

Synthesis & Chemistry of Agrochemicals Kenneth A. Spencer Award: Symposium in Honor of Thomas M. Stevenson Cosponsored by AGFD, ENVR, I&EC‡ and ORGN T. M. Stevenson, Organizer S. Tyagi, Organizer, Presiding 1:00 Introductory Remarks. 1:05 AGRO 168. Synthetic studies towards complex natural products. T.J. Maimone 1:55 AGRO 169. Design and explore sulfur containing heterocyclic insecticides. M. Xu, T. Briddell, E. Hoffmann, D. Cordova 2:20 AGRO 170. Discovery of insecticidal 3-aminopyridyl ureas. W.T. Lambert, A. Buysse, F. Wessels

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TECHNICAL PROGRAM

2:20 AGRO 125. Discovery of chemicals that mediate mosquito host-seeking and biting behavior. U.R. Bernier, M. Tsikolia, N. Tabanca, J.R. Bloomquist 2:45 Intermission. 3:05 AGRO 126. Next-gen biorational spatial repellents. J.R. Coats, E.J. Norris, J.S. Klimavicz 3:30 AGRO 127. Toxicity and physiological actions of fatty acids and related potassium channel blockers to mosquitoes. J.R. Bloomquist, F. Demares, Q. Coquerel, G. Richoux, K. Linthicum, U.R. Bernier 3:55 AGRO 128. Evaluating the mode of action of neonicotinoid insecticides and sulfoximine derivatives on Ixodes ricinus nicotinic acetylcholine receptors. S. Thany 4:20 AGRO 129. Designing “smarter” insecticides for vector control. C.A. Hill 4:45 Concluding Remarks.

TECHNICAL PROGRAM

AGRO 2:45 AGRO 171. New 5-phenoxypyrazoles and 4-phenoxypyrazoles as fungicides. J.K. Long, M.J. Mahaffey, A. Taggi 3:10 Intermission. 3:30 AGRO 172. Modular approach to macrocyclic fungicides. K.G. Meyer, C. Yao, B.M. Nugent, F. Li, J.F. Daeuble, K. Bravo-Altamirano, J. Wilmot, W.H. Dent, Y. Lu, R. LaLonde, J. DeLorbe, K. DeKorver, T.A. Boebel 3:55 AGRO 173. N-linked azoles as design elements in bioactive molecules. T.M. Stevenson 4:45 Concluding Remarks.

SECTION B Boston Convention & Exhibition Center Ballroom East - Theater 2

Agricultural Based Natural Products as Biorational Pesticides Cosponsored by AGFD J. J. Beck, S. O. Duke, Organizers C. C. Rering, Organizer, Presiding 1:00 Introductory Remarks. 1:05 AGRO 174. Chemical mediators of multitrophic interactions for biorational pest management. L.L. Stelinski 1:30 AGRO 175. Combination of host and fungal volatiles provides improved detection of Euwallacea nr. fornicatus in Florida. N. Tabanca, P.E. Kendra, D. Owens, W.S. Montgomery, T. Narvaez, E.Q. Schnell, D. Carrillo 1:55 AGRO 176. Microbiome as novel target for the biocontrol of invasive fruit flies. J. Hernandez, S. Boyles, C. Wong 2:20 AGRO 177. Associations between Drosophila suzukii and fungal microbes. M. Lewis, K.A. Hamby 2:45 AGRO 178. Relationship between diapause preparation and diapause length: A possible target for European corn borer management. J.T. Brown, D. Hahn, R.L. Meagher, J.J. Beck 3:10 Intermission. 3:30 AGRO 179. Identification, synthesis and field activity of sex pheromone of the Tecia solanivora Polvony (Lepidoctera: Gelechiidae), an invasive pest of potatoes. C.A. Sierra, V. Vidal, D. Peña, A. Romero 3:55 AGRO 180. Synthesis of a range of carbohydrate natural based volatile organic compound analogues and the evaluation of their pesticide activity. K. Oxley, N.K. Jalsa 4:20 AGRO 181. Development of lures for blueberry maggot (Rhagoletis mendax). J.C. Kawagoe, S.S. Walse, A. Abrams 4:45 Concluding Remarks.

SECTION C Boston Convention & Exhibition Center Ballroom East - Theater 3

Analytical Methods & Study Designs in Pollinator Studies Financially supported by Golden Pacific Laboratories, JRFA C. M. Bianca, J. Louque, T. F. Moate, Organizers, Presiding 1:00 Introductory Remarks 1:05 AGRO 182. To bee collect or not to bee collect: Efficiency and efficacy in commodity collections for bee residue studies. P. Moore, M. Lamore, M. Hill, R. Krentz 1:30 AGRO 183. Measuring multiple matrices to determine wild bee exposure to pesticides in an intensively managed agricultural landscape. M.L. Hladik, L. Ward, C. Kremen, N.J. Mills 1:55 AGRO 184. Understanding the impact of pesticide exposure on honey bee immunity. S. O’Neal, T. Anderson 2:20 AGRO 185. Honey bee toxicity of residues on foliage (RT25) study: Issues and possible improvements. R. Singh, D. Schmehl, V. Kramer, B. Sharma, T. Joseph 2:45 AGRO 186. Laboratory challenges associated with small sample size and matrix suppression in nectar and pollen analysis. J. Warnick 3:10 Intermission. 3:30 AGRO 187. Monitoring brood development in honeybee colonies: The right, the wrong and the optimum. V.J. Kramer 3:55 AGRO 188. How pesticides move through honey bee hives. A. Olmstead 4:20 AGRO 189. Determination of cyhalothrin insecticide residues in pollinator matrixes of soybean. T.F. Moate, K. Derewacz, T. Oakes 4:45 Concluding Remarks.

SECTION D Boston Convention & Exhibition Center Ballroom East - Theater 4

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Joint Reviews for New Pesticides: Success Stories, Challenges & Future Prospects Cosponsored by AGFD Financially supported by Corteva Agriscience, CropLife America, Syngenta, Bayer CropScience, ISK Biosciences, BASF K. D. Racke, Organizer L. Rossi, R. de Moraes, Organizers, Presiding 1:00 Introductory Remarks. 1:05 AGRO 190. Australia’s experiences in global joint reviews (GJRs) of pesticides. J. Lutze, A. Norden 1:30 AGRO 191. 20 years of North American collaboration – Lessons learned and future directions. M. Goodis, P. Brander 1:55 AGRO 192. Global joint reviews: Considerations and advances for minor uses. D. Kunkel, J. Baron 2:20 AGRO 193. Europe, Africa and Asia: Regional policy challenges impacting joint submissions. J. Carvalho, K. Fullner, P. Pukclai, R. de Moraes 2:45 AGRO 194. UK experience on joint reviews. D. Flynn, C. Snaith 3:10 Intermission. 3:20 AGRO 195. Plant protection products: Is Europe really interested in global work sharing? G. Rennick 3:45 AGRO 196. Post-market re-evaluation of agricultural chemicals: Challenges and opportunities for international worksharing. R. Aucoin 4:10 AGRO 197. Harmonization of maximum residue limits of pesticides among ASEAN countries. N. Keong 4:35 Panel Discussion.

SECTION E Boston Convention & Exhibition Center Ballroom East - Theater 5

Chiral Agrochemicals: Analytical Advances & Regulatory Trends Cosponsored by AGFD and ANYL Y. Ding, U. Slomczynska, Organizers M. Ma, L. Riter, Organizers, Presiding 1:00 Introductory Remarks. 1:05 AGRO 198. Transformation of chiral fungicide Inpyrfluxam to stereoisomeric metabolites in confined rotational crops. M.A. Jalal, J. Whitby, T. Nguyen, K. Gohre, S.H. Jackson 1:30 AGRO 199. Application of chromatographic technologies in support of agrochemical research and development. P. Rodwell 1:55 AGRO 200. Enantioselectivity in environmental processing and ecotoxicology of chiral pesticides. W. Liu 2:20 AGRO 201. Separations of chiral molecules in support of process chemistry and formulations research. D. Knueppel, J. Richards 2:45 AGRO 202. Chiral analysis of pesticides using SFC-MS and 2D LC-MS. G. Li, L. Zang, Y. Yang 3:10 Intermission 3:30 AGRO 203. Environmental transformation of the chiral agrochemical Mandestrobin. K. Gohre, J.C. Aston, J.J. Maurer, J. Whitby, T. Nguyen, S.H. Jackson, M.A. Jalal 3:55 AGRO 204. Application of SFC-MS to chiral agricultural active ingredients. J. Richards, D. Knueppel, J.A. Godbey, C. Zu 4:20 AGRO 205. Chiral chromatography of pesticides with SFC and SFC-MS. J.P. Preston, S. Sadjadi 4:45 Concluding Remarks.

Chemistry, Flavor & Health Effects of Teas Flavor Sponsored by AGFD, Cosponsored by AGRO

Food Bioactives, Nano-Technology & Other Delivery Systems Sponsored by AGFD, Cosponsored by AGRO

AGFD Award Symposium in honor of Dr. Sevim Erhan Sponsored by AGFD, Cosponsored by AGRO and PROF

Novel Treatment Approaches for Emerging Contaminants in Groundwater Systems Sponsored by ENVR, Cosponsored by AGRO‡, ANYL and GEOC

WEDNESDAY MORNING SECTION A Boston Convention & Exhibition Center Room 204A

Synthesis & Chemistry of Agrochemicals Cosponsored by AGFD, ENVR, I&EC‡ and ORGN S. Tyagi, Organizer T. M. Stevenson, Organizer, Presiding 8:05 Introductory Remarks. 8:10 AGRO 206. Physicochemical property guidelines for modern agrochemicals. Y. Zhang, B.A. Lorsbach, C. Scott 8:35 AGRO 207. Synthesis and biological activity of 1,2,4-Triazoles as broad spectrum herbicides. P.L. Sharpe, T.M. Stevenson, M.J. Campbell, T. Cenizal, C. Liberato, E. Reed 9:00 AGRO 208. Chemistry behind the aminoisothiazoles: A new class of herbicides. S. Lehr, D. Bernier, T. Droege, M. Mosrin, J. Rey, J. Tiebes 9:25 AGRO 209. Post-emergence dicot weed control using a novel chemical cluster with a new mode of action. D. Geerdink 9:50 Intermission. 10:10 AGRO 210. Rational design of agrochemicals: Extending the toolset beyond crystal structures. D. Kloer 10:35 AGRO 211. Quantum of solace for plants: Exploring unprecedented variations of plant hormone Abscisic Acid to identify new lead structures against drought stress in crops. H. Helmke, J. Frackenpohl, J. Franke, J. Freigang, G. Lange 11:00 AGRO 212. Preparation of fenpicoxamid standards to support registration studies. P. Johnson, L. Creemer, K.G. Meyer, R. Ross 11:25 Concluding Remarks.

SECTION B Boston Convention & Exhibition Center Ballroom East - Theater 2

Agricultural Based Natural Products as Biorational Pesticides Cosponsored by AGFD S. O. Duke, C. C. Rering, Organizers J. J. Beck, Organizer, Presiding 8:05 Introductory Remarks. 8:10 AGRO 213. Development of host marking pheromones for the control of fruit flies in Africa: The icipe experience. B. Torto, X. Cheseto, D. Kachigamba, S. Ekesi, M. Ndung’u, P.E. Teal, J.J. Beck 8:35 AGRO 214. Agricultural ecology: Systems to solutions. J.J. Beck, C.C. Rering 9:00 AGRO 215. Attract and kill bait for controlling the small hive beetle, Aethina tumida (Coleoptera: Nitidulidae). C. Stuhl 9:25 AGRO 216. Solventless sampling and GC/MS analyses: A comparative study of three volatile collection techniques. H.T. Alborn, R. Bruton, N. Baig, J.J. Beck 9:50 Intermission. 10:10 AGRO 217. Competition between nectar specialist and generalist microorganisms: Effects on metabolite emission and pollinator acceptance. C.C. Rering, J.J. Beck, R.L. Vannette, R.N. Schaeffer 10:35 AGRO 218. Impact of flooding on the chemical defenses of maize against the insect pest fall armyworm. A. Block, S.A. Christensen, C. Hunter 11:00 AGRO 219. Diverse environmental stimuli result in differential regulation of plant-produced natural product defenses in maize. S.A. Christensen, E. Schmelz, J. Sims, A. Huffaker, D. Willett, A. Block, C. Hunter, H.T. Alborn 11:25 Concluding Remarks.

SECTION C Boston Convention & Exhibition Center Ballroom East - Theater 3

Analytical Topics for Ag Process Chemistry & Formulations Research Cosponsored by AGFD and ANYL M. Pobanz, D. Knueppel, Organizers, Presiding 8:05 Introductory Remarks. 8:10 AGRO 220. Method development for complex agricultural formulations containing multiple active ingredients. M.D. Evenson 8:35 AGRO 221. Method development for relevant impurities in agricultural formulated products. T. Kajdan 9:00 AGRO 222. Identification of closely related structural and stereoisomeric trace impurity species, via the isolation and purification of these impurities using chiral preparative SFC, allowing for 2D NMR structural studies. J.P. McCauley, M. Twohig 9:25 AGRO 223. Quantitation of a minor impurity in InatreqTM active (Fenpicoxamid) using two-dimensional liquid chromatography. G.A. Vonwald, K. Kuppannan, P. Lewer 9:50 Intermission.

SECTION D Boston Convention & Exhibition Center Ballroom East - Theater 4

AGRO-SETAC Joint Symposium: Role of Monitoring Data in Advancing Regulatory Risk Assessment Cosponsored by ENVR Financially supported by SETAC North America L. Carver, D. Perkins, Organizers, Presiding W. Chen, K. Ryberg, Presiding 8:05 Introductory Remarks. 8:10 AGRO 227. Challenges with site selection, monitoring well placement and sampling for groundwater monitoring of a pre-emergent herbicide in the upper Midwest. T. Xu, R. Jones, D. Netzband, D.R. Gabbert, C. Hassinger, M. Veal, S. Blanchfield 8:35 AGRO 228. Atrazine Ecological Monitoring Program: Study design and conduct. J. Trask, L. Carver, S.M. Chen, M. Cox, K. Marincic 9:00 AGRO 229. Relating sampling bias factors to surface water catchment characteristics for deriving confidence counds on available pesticide monitoring data. R.F. Bohaty, S.C. Hafner, C. Hartless, C. Peck, J. Hook, D.S. Spatz 9:25 Discussion. 9:50 Intermission. 10:10 AGRO 230. Evaluation of SEAWAVE-QEX as a tool to increase the utility of available pesticide surface water monitoring data. R.F. Bohaty, S.C. Hafner, C. Hartless, C. Peck, J. Hook, D.S. Spatz 10:35 AGRO 231. Interpreting water quality monitoring observations through modeling: PRZM/SWAT and SEAWAVE-Q. D. Perkins, A. Jacobson, C. Roy, F. Abi-Akar, W. Chen 11:00 Panel Discussion. 11:25 Concluding Remarks.

SECTION E Boston Convention & Exhibition Center Ballroom East - Theater 5

Atmospheric Fate & Transport of Volatilized Agricultural Emissions Cosponsored by ANYL and ENVR P. L. Havens, Organizer S. Grant, A. M. Ritter, Organizers, Presiding 8:30 Introductory Remarks. 8:35 AGRO 232. Assessing the effectiveness of vegetative environmental buffers in mitigating ammonia and PM emissions from animal agriculture. C.J. Hapeman, H. Li, M.D. Buser, K. Ro, W.E. Eichinger, J.H. Prueger, J.D. Wanjura, L.L. McConnell, A. Torrents, J.G. Alfieri, G.A. Holt, Q. Yao, Z. Yang, W.B. Willis, P.M. Downey 9:00 AGRO 233. Estimating sulfuryl fluoride emissions during structural fumigation of residential houses. J. Tao 9:25 AGRO 234. Investigation of atmospheric transport of the beneficial microorganism Entomophaga maimaiga using microspheres. H. Thistle 9:50 Intermission. 10:10 AGRO 235. Estimating risk to non-target plants and animals from semi-volatile esticides. C. Peck, F. Khan, K. Garber 10:35 AGRO 236. Comparison of three regulatory methods for estimating volatile flux of pesticides from treated fields. J. Stryker, L. Padilla, J. Dunne, B. Toth 11:00 AGRO 237. Methodology to more realistically compute deposition rates for volatilized pesticides: Refining the deposition velocity term in dispersion models. D.A. Sullivan, R.D. Sullivan, D. Hlinka 11:25 Concluding Remarks.

Chemistry, Flavor & Health Effects of Teas Chemistry & Biochemistry Sponsored by AGFD, Cosponsored by AGRO

Diet, Health & Gut Microbiome Sponsored by AGFD, Cosponsored by AGRO, BIOL, CARB and CELL

WEDNESDAY AFTERNOON SECTION A Boston Convention & Exhibition Center Room 204A

Surfactant & Colloid Science as Applied to Agrochemical Formulations Cosponsored by AGFD, ENVR‡ and ORGN R. Acosta Amado, M. Meredith, S. Sumulong, Organizers K. Hodge-Bell, R. Totten, Organizers, Presiding 2:00 Introductory Remarks. 2:05 AGRO 238. Novel aromatic surfactants. M. Meredith, A.J. Stern, D. Fanfair 2:30 AGRO 239. Overcome common stability challenges in agricultural formulation development. J. Liu, M. Li, R. Acosta Amado, K. Min, P. Larsen, D. Hopkins 2:55 AGRO 240. Compatibility agents for complex tank mix systems. J. Sheehan, J. Bell 3:20 AGRO 241. Effect of carbon chain length and degree of unsaturation on skin sensitization potential of fatty acids and their corresponding methylated esters. R. Acosta Amado, S.C. Gehen, R.S. Settivari 3:45 Intermission. 4:05 AGRO 242. Urea-hydroxyapatite-polymer nanohybrids as seed coatings for enhanced germination of seasonal crops. D. Pabodha, D.N. Rathnaweera, G. Priyadarshana, C. Sandaruwan, H.L. Kumara, K. Purasinhala, S. Chathurika, S. Daraniyagala, V. Karunaratne, N. Kottegoda 4:30 AGRO 243. Hydroxyapatite-citric acid nanohybrids for optimum release of phosphorus in fertilizer applications. R. Samavini, C. Sandaruwan, M.R. de Silva, G. Priyadarshana, N. Kottegoda, V. Karunaratne 4:55 AGRO 244. Encapsulation of biologics for agricultural applications. K.H. Kucharzyk, A.D. Duong, R.L. Jones, J. Arnold 5:20 AGRO 245. New emulsifier system with improved Clethodim stability for emulsifiable concentrate formulations. E. Weber 5:45 Concluding Remarks.

SECTION B Boston Convention & Exhibition Center Ballroom East - Theater 2

Strategies for Radiolabeling Agrochemicals in Regulatory Studies & Advanced Techniques for Characterization Cosponsored by ORGN Y. Yuan, Organizer M. Ma, G. C. Nallani, Organizers, Presiding Y. Yuan, Presiding 2:00 Introductory Remarks. 2:05 AGRO 246. Synthesis of radiolabeled standards of bicyclopyrone and sedaxane to support product development. S. Tyagi, C.D. Cook, J.W. Perine, D.D. Dixon, B.P. McKillican, J.A. Key 2:30 AGRO 247. Production of isotopically labelled natural products and metabolites by microbial fermentation and biotransformation. F. Scheffler, N. Geach 2:55 AGRO 248. Case study: Natural product stability. N. Geach, M. Jones, P. Morgan 3:20 AGRO 249. Carbon-14 labeling and synthetic strategies of imazamox and metabolites. E. Tjaden, H. Pennaka, V. Murrell, M. Han, N. L’Helias, D. Classen 3:45 Intermission. 4:05 AGRO 250. Strategies for labelling test substances for regulatory studies. A.K. Sharma, D.L. Ryan, C. Fang 4:30 AGRO 251. Strategies for isotopic labeling of agrochemical active ingredients to enable registration. B. Canturk, P. Johnson, M. Ma, J. Balcer, G.T. Whiteker, R. Ross 4:55 AGRO 252. Using radio-HPLC and radio-TLC in tandem for the quantification and confirmation of known metabolites in support of agrochemical product development. J. O’Neill 5:20 AGRO 253. Use of radiolabeled and stable labeled test substances in regulatory metabolism studies for agrochemicals. K. Ahn, T. Fleischmann 5:45 Concluding Remarks.

SECTION C Boston Convention & Exhibition Center Ballroom East - Theater 3

New Analytical Technologies for Pesticide Analysis Cosponsored by AGFD, ANYL and ENVR M. Saha, W. Su, Organizers, Presiding 2:00 Introductory Remarks.

2:05 AGRO 254. CESI-MS for agrochemical analysis. S.S. Walse, E. Rangel, W.A. Hall 2:30 AGRO 255. Strategies for extraction and cleanup prior to LC-MS/MS determination of dicamba and other acidic herbicide residues in agricultural samples; consideration for bound and unbound compounds and metabolites. M.S. Young, K. Tran 2:55 AGRO 256. Expansion of pesticide analysis screen by high resolution mass spectrometry in fresh produce in a regulatory environment. G. Gerard 3:20 AGRO 257. Coating-free, “quick-and-easy” scanning electron microscopy imaging of agricultural samples. N.J. Carter 3:45 Intermission. 4:05 AGRO 258. Analytical methods to quantify off-target movement of dicamba. L. Riter 4:30 AGRO 259. Application of Raman microscopy in pesticide formulation analysis. K. Smith, T. Prusnick 4:55 AGRO 260. Analytical method lifecycle through crop protection product phase advancement. W. Su 5:20 Concluding Remarks.

SECTION D Boston Convention & Exhibition Center Ballroom East - Theater 4

Pesticides & Chemophobia in the News: What You Need to Know as a Scientist & Consumer Cosponsored by AGFD, CHAL, CHAS and ENVR A. Hood, G. OSullivan, Organizers, Presiding 2:00 Introductory Remarks. 2:05 AGRO 261. State of our world: An argument for watchful optimism. J.M. Stewart 2:30 AGRO 262. Chemophobia – Simply semantics or something deeper?: How to have a discussion with a nonscientist. D.A. Koch 2:55 AGRO 263. Politics and the news cycle: How to cut through the noise. G. OSullivan 3:20 AGRO 264. Hogwash: Battling misinformation on the front lines of the public sphere. M. Mangan 3:45 Intermission. 4:05 AGRO 265. When analytical data deceive: Separating fact from fiction. W. Reeves 4:30 AGRO 266. Moms, milk, and Monsanto: The precise conditions for a perfect storm. M. McGuire, M. McGuire 4:55 AGRO 267. Agroecosystem approach for endangered species. G. Watson 5:20 AGRO 268. Deficit model: Avoid it. D.J. Gentleman 5:45 Discussion.

SECTION E Boston Convention & Exhibition Center Ballroom East - Theater 5

Atmospheric Fate & Transport of Volatilized Agricultural Emissions Cosponsored by ANYL and ENVR A. M. Ritter, Organizer S. Grant, P. L. Havens, Organizers, Presiding 2:00 Introductory Remarks. 2:05 AGRO 269. Analysis of weather and environmental factors associated with off-target dicamba movement. M. Bish 2:30 AGRO 270. Dicamba emissions after application appear related to temperature, formulation, and adding glyphosate to the spray mixture. T.C. Mueller, L. Steckel 2:55 AGRO 271. Evaluating spatial scale effects of dicamba applications on off-target vapor movement. T. Orr, N. Pai, E. Sall, C. DesAutels, J. Popovic, R. Reiss 3:20 AGRO 272. Monte Carlo modeling methods for county-wide and regional analysis of pesticide airborne concentrations and drift for volatilized pesticides. D.A. Sullivan, R.D. Sullivan, D. Hlinka 3:45 Intermission. 4:05 AGRO 273. SOFEA3 modeling of 1,3-dichloropropene concentrations in ambient air in high fumigant use areas of the United States. O. de Cirugeda Helle, I. van Wesenbeeck, S. Cryer 4:30 Panel Discussion. 4:55 Concluding Remarks.

SECTION F Boston Convention & Exhibition Center Ballroom Pre-Function

Agricultural Based Natural Products as Biorational Pesticides Cosponsored by AGFD J. J. Beck, S. O. Duke, C. C. Rering, Organizers

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10:10 AGRO 224. Unifying, informatics-based approach to life cycle management of impurity data. J. DiMartino, A. Anderson, S.K. Bhal, G. McGibbon 10:35 AGRO 225. Mass spectrometry based structure elucidation of impurities in synthetic agrochemicals using modern instrumentation and software tools. C. Zu, D. Knueppel, M. Wadsley, B. Bruce 11:00 AGRO 226. On-line measurements for process monitoring, development and manufacturing of Monsanto’s crop protection products. D.S. Malkin, L. Yuan, L. Nguyen, C.S. Zuniga, D.D. Soleta, W. Gavlick 11:25 Concluding Remarks.

TECHNICAL PROGRAM

AGRO 11:30 – 2:00 AGRO 274. Drought-induced effects on buckwheat (fa*gopyrum esculentum) floral traits and honey bee visitation. R.E. Mallinger, C.C. Rering, J.G. Franco, J.J. Beck AGRO 275. Comparative analysis of diamide formulations on pest and beneficial insects. J. Williams, T. Anderson, D. Swale AGRO 276. Monoterpenoid and phenylpropanoid esters as long-lasting mosquito repellents. J.S. Klimavicz, C.L. Corona, J.R. Coats AGRO 277. Analysis of activity of monoterpenoid plant compounds on a nicotinic acetylcholine receptor. C. Wong, M. Abongwa, S. Choudhary, A. Robertson, R.J. Martin, J.R. Coats AGRO 278. Natural compound spororium A protects tomato plants against Botrytis cinerea by priming the jasmonic acid pathways. L. Cao, S. Zhao, W. Yan, Y. Ye AGRO 279. Using biosolarization with almond byproduct amendments to disinfest almond orchard soil during preplant processing and improve soil quality. E. Shea, E. Lopez, J.D. Fernandez Bayo, A. Parr, J. Milkereit, Y. Achmon, A. Hodson, J. Stapleton, J. VanderGheynst, C. Simmons

SECTION F Boston Convention & Exhibition Center Ballroom Pre-Function

Around the World with Pesticide Maximum Residue Levels Cosponsored by AGFD P. A. Brindle, H. B. Irrig, C. Tiu, Organizers 11:30 – 2:00 AGRO 280. Residue analysis of thiametoxam and its metabolite clothianidin during cultivation of strawberry and tomato. Y. Jeon, J. Jung, S. Park, H. Jung, S. Chai, J. Park, T. Kim AGRO 281. Import tolerances in Taiwan procedure, challenges & progress. J. Chen AGRO 282. Comparison of pesticide residues in Korea cabbage and shallot by morphological characteristics of plant. H. Kim, S. Lee, K. Se-Yeon, S. Cho, J. Kim, K. Kyung

SECTION F Boston Convention & Exhibition Center Ballroom Pre-Function

Assessing Risk, Providing Benefit: Making Informed Decisions in Endangered Species Pesticide Risk Management Cosponsored by AGFD P. Ashfield, D. D. Campbell, M. Dobbs, G. Hall, L. Honey, B. McGaughey, C. Tortorici, Organizers 11:30 – 2:00 AGRO 283. Toxicity evaluation of combined contamination of herbicide and heavy metals on earthworms (Eisenia fetida) in urban soil. X. Li, W. Chen, M. Wang, X. Li AGRO 284. Field air SPME analysis of free-ranging giant pandas in Wolong nature reserve. A.E. Brown, A. Wilson, D.L. Sparks, K. Knott, S. Willard, T. Connor, Z. Zejun AGRO 285. Ecological risk evaluation of combined pollution of herbicide siduron and heavy metals in soils. M. Wang, R. Jiang, W. Chen

SECTION F Boston Convention & Exhibition Center Ballroom Pre-Function

Chiral Agrochemicals: Analytical Advances & Regulatory Trends Cosponsored by AGFD and ANYL Y. Ding, M. Ma, L. Riter, U. Slomczynska, Organizers 11:30 – 2:00 AGRO 286. Food antibiotic residues in early life enantioselectively alter the murine gut microbiome and the immune response. M. Zhao AGRO 287. Systemic stereoselectivity bioactivity study of chiral fungicide prothioconazole and its metabolite in agricultural management. Z. Zhang AGRO 288. Chiral amide herbicide metolachlor: Enantioseparation, stereoselective bioactivity and environmental behavior. L. Zhao, J. Xie, W. Liu AGRO 289. Differences between C-chiral enantiomers and axial-chiral enantiomers on enantiomeric separation. J. Xie, W. Liu AGRO 290. Methods for improving chiral HPLC separation of agrochemicals that are present as multiple isomers in biological, soil and water/sediment matrices. M. Lee, M. Ponte

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SECTION F Boston Convention & Exhibition Center Ballroom Pre-Function

Designing Better Studies: Issues & Improvements in Pollinator Studies C. M. Bianca, J. Louque, T. F. Moate, Organizers 11:30 – 2:00 AGRO 291. Modeling of nectar requirements for nectar foraging honey bees (Apis mellifera). S. Rodney AGRO 292. Monitoring brood development in honeybee colonies: Which eggs to select and how many? V.J. Kramer AGRO 293. LC-MS/MS method for estimating the exposure to neonicotinoid residues in pollinator attractive habitat adjacent to corn and soybean fields. M.J. Hall, V. Dang, G. Zhang, M. O’Neal, D. Borts, S. Bradbury, J.R. Coats AGRO 294. Gut symbiont viability of honey bees exposed to chemical stressors. B. Gabriel, T. Anderson

SECTION F Boston Convention & Exhibition Center Ballroom Pre-Function

Environmental Fate, Transport & Modeling of Agriculturally-Related Chemicals

AGRO 306. Use of microtransplanted rat brain tissue in Xenopus oocytes to determine the toxicodynamic differences of pyrethroids on sodium channel isoforms in juvenile and adult mammalian brains. E. Murenzi, A.C. Toltin, S.B. Symington, J.M. Clark AGRO 307. Novel target for insecticide design: Mechanistic and structural analysis of arylalkylamine N-acetyltransferase from the red flour beetle. B. O’Flynn, D.J. Merkler AGRO 308. Sulfoximine derivative, sulfoxaflor, activates imidacloprid-sensitive nicotinic acetylcholine receptors on insect neurosecretory cells. B. Moambi, J. Houchat, A. Cartereau, M. Mathe-Allainmat, J. Lebreton, J. Graton, J. Le Questel, S. Thany AGRO 309. Photochromic imidacloprid for optical control of insecticide performance. X. Shao AGRO 310. Design of selective anti-juvenile hormone agents based on the structural analysis of apo, ligand-, and inhibitor-bound type II FPPS of the spruce budworm. E. Aerts, B. Moradia, S.E. Sen, M. Picard, R. Shi, C. Béliveau, M. Cusson AGRO 311. Phytochemical synergists: enhancing pyrethroids with natural plant compounds. E. Norris, M. Archevald, A.D. Gross, L. Bartholomay, J.R. Coats

SECTION F

S. H. Jackson, R. L. Warren, Organizers 11:30 – 2:00 AGRO 295. Fate and transport of brominated estradiols as surrogates for native 17ß-estradiol in an agricultural field. H. Hakk, F.X. Casey AGRO 296. Use of solid phase microextraction (SPME) in assessing volatility in agrochemical discovery lead optimization. L. Cai, C. Pedersen, S. Strachan AGRO 297. Spatial variability of DDT in aged contaminated soil and its bioavailability to indigenous earthworms. Z. Yang, C.J. Hapeman, A. Torrents, M.O. Anderson, T. LaChance, R.E. Plummer, L.L. McConnell, D. Jackson AGRO 298. Estimation of 1,3-dichloropropene flux by application method under California use conditions using HYDRUS 2-D. C.R. Brown, F.C. Spurlock AGRO 299. Occurrence of antibiotics and antibiotic resistant genes in cow manure-fertilized Zea mays. R. Mullen, J. Hurst, K. Naas, L. Sassoubre, D.S. Aga AGRO 300. Using geospatial techniques for effective product stewardship. A.M. Ritter, C. Hoogeweg, M.A. Thomas, A. Kirk AGRO 301. Degradation studies: Solvent systems including both polar and nonpolar solvents to extract residues from soil matrix. C. Wijntjes, D. Adam, W. Völkel, S. Höger AGRO 302. Improved extraction techniques for regulatory metabolism studies of agrochemicals. L. Nguyen, B. Nguyen, K. Ahn, T. Fleischmann

Boston Convention & Exhibition Center Ballroom Pre-Function

SECTION F

Pesticide Spray Drift: Application, Evaluation & Mitigation

Boston Convention & Exhibition Center Ballroom Pre-Function

Environmental Study Design: Current & Emerging Guidelines Cosponsored by ENVR H. Adusumilli, A. Chen, Q. Yao, Organizers 11:30 – 2:00 AGRO 303. Predicting environmental fate of agrochemicals in irradiated water-sediment systems. L. Laughiln, M. Spradlin AGRO 304. Bioconcentration factor-based soil management guideline through uptake pattern of pesticide by radish. K. Se-Yeon, S. Lee, S. Cho, H. Kim, J. Hwang, J. Kim

SECTION F Boston Convention & Exhibition Center Ballroom Pre-Function

Good Laboratory Practices for the Agrochemical Professional K. Daigle, C. Lee, K. Watson, Organizers 11:30 – 2:00 AGRO 305. Global aspects and demands on cooperation with a CRO. A. Irmer, M. Traub, B. Rieder

SECTION F Boston Convention & Exhibition Center Ballroom Pre-Function

INSecticide TARgets (INSTAR) Summit T. Anderson, J. R. Bloomquist, J. M. Clark, T. C. Sparks, D. Swale, K. Y. Zhu, Organizers 11:30 – 2:00

Non-Extractable Residue (NER) Bio-Accessibility & Potential Risks Cosponsored by ANYL and ENVR M. Kastner, M. Telscher, M. Zhang, Organizers 11:30 – 2:00 AGRO 312. Effects of coal tar as source material on the desorption kinetics of benzo(a)pyrene from contaminated soils. L. Yu, L. Duan, R. Naidu, K.T. Semple AGRO 313. Non-extractable residues of agrochemicals in soil in the regulatory context. T. Junge

SECTION F Boston Convention & Exhibition Center Ballroom Pre-Function

Pesticides & Chemophobia in the News: What You Need to Know as a Scientist & Consumer Cosponsored by AGFD, CHAL, CHAS and ENVR A. Hood, G. OSullivan, Organizers 11:30 – 2:00 AGRO 319. Bayer’s Science Transparency Initiative: Enabling access to safety studies. S. Myers

SECTION F Boston Convention & Exhibition Center Ballroom Pre-Function

Cosponsored by ANYL and ENVR J. W. Perine, H. Thistle, Organizers 11:30 – 2:00 AGRO 314. Spray drift and pest control from aerial applications on soybeans. J.A. Cunha, R. Barizon, V. Ferracini, M. Assalin, U.R. Antuniassi AGRO 315. Initial measurement and evaluation of spray drift from an unmanned aerial vehicle. C.R. Brown, D.K. Giles AGRO 316. Effect of evaporation rate and recent deposition dataset on AGDISP spray drift modeling for herbicide tank mix partners. M. Kim, R. Morris AGRO 317. Three dimensional plant modelling with open source software for use in spray particle deposition simulations. J. Dunne, S. Grant, L. Padilla, J.W. Perine, M. Ledson AGRO 318. Advancing pesticide management strategies for citrus greening disease. H. Miller, R. Rehberg, R. Menger, C. Henry, P. Ode, P. Trivedi, T. Borch

SECTION F Boston Convention & Exhibition Center Ballroom Pre-Function

Protection of Sustainable Agricultural Productivity, Public Health & the Environment: General Session J. E. Eble, Organizer 11:30 – 2:00 AGRO 320. Urinary excretion and tissue residues of zilpaterol HCl after trace-level exposures. D.J. Smith, W.L. Shelver AGRO 321. FOCUS and NAFTA degradation kinetics are too conservative? — Aged sorption affects the kinetic modeling of pesticide degradation in soil. P. Sharma, S. Qiu

SECTION F Boston Convention & Exhibition Center Ballroom Pre-Function

Role of Monitoring Data in Advancing Regulatory Risk Assessment Cosponsored by ENVR L. Carver, D. Perkins, Organizers 11:30 – 2:00 AGRO 331. Estimation of concentration percentiles for pesticide surface water monitoring data. P. Mosquin, J. Aldworth, W. Chen AGRO 332. Evaluation of SEAWAVE-Q Model for providing daily predictions from non-daily sampled atrazine surface-water concentration monitoring data. J. Aldworth, P. Mosquin, W. Chen AGRO 333. Spatial and temporal analysis approach to quantify pesticide concentrations in surface water. R.F. Bohaty, S.C. Hafner, C. Hartless, C. Peck, J. Hook, D.S. Spatz

SECTION F Boston Convention & Exhibition Center Ballroom Pre-Function

Role of P450s in Broad-Spectrum Multiple Herbicide Resistance in Weeds: Symposium Honoring Stephen Powles Cosponsored by AGFD and ANYL T. Gaines, Organizer 11:30 – 2:00 AGRO 334. Association between a SNP and cytochrome P450-mediated herbicide resistance in Lolium spp. populations. M. Yanniccari, R. Gigón AGRO 335. Metabolic resistance to tribenuron-methyl in Descurainia sophia L. conferred by cytochrome P450 enzyme (CYP96A146). Q. Yang, Y. Xu, J. Shen, J. Li, H. Liu, M. Zheng AGRO 336. Metabolic and multiple resistance in junglerice from Mississippi. V. Nandula

SECTION F Boston Convention & Exhibition Center Ballroom Pre-Function

Strategies for Radiolabeling Agrochemicals in Regulatory Studies & Advanced Techniques for Characterization Cosponsored by ORGN M. Ma, G. C. Nallani, Y. Yuan, Organizers 11:30 – 2:00 AGRO 337. Environmental metabolism studies with carbon-14 labelled plant protection products. N. Geach, A. Irmer AGRO 338. Considerations for selection of 14C radioactive tracers and 13C stable label analogs to aid metabolite identification by mass spectrometry. S. Mathys, J. LaMar, T. Fleischmann

SECTION F Boston Convention & Exhibition Center Ballroom Pre-Function

Surfactant & Colloid Science as Applied to Agrochemical Formulations Cosponsored by AGFD, ENVR‡ and ORGN R. Acosta Amado, K. Hodge-Bell, M. Meredith, S. Sumulong, R. Totten, Organizers 11:30 – 2:00 AGRO 339. Water quality influence on dilution properties of an oil-in-water emulsion agricultural formulation. N.V. de Castro, R. Acosta Amado AGRO 340. Systematic approach to identify and solve tank mix incompatibility of crop protection products. H. Jeon, R. Acosta Amado, R. Degenhardt, M. Olds, H. Shao, M. Somasi AGRO 341. Stabilization of a suspension concentrate agricultural formulation with xanthan gum in high electrolyte environment. G. Powels, R. Acosta Amado AGRO 342. Improving the chemical stability of emulsifiable concentrate agricultural formulations. B. Perez, R. Acosta Amado, M. Li AGRO 343. SLOPE PIT method to characterize surfactants. S. Deprey, P. Ravier, P. Van der Weeën

SECTION F Boston Convention & Exhibition Center Ballroom Pre-Function

Synthesis & Chemistry of Agrochemicals: ACS Industrial Chemistry Award Symposium in honor of George P. Lahm Cosponsored by AGFD, ENVR, I&EC and ORGN T. M. Stevenson, S. Tyagi, Organizers 11:30 – 2:00 AGRO 344. Challenging the accepted SAR of diaryl imidazole broad-spectrum fungicides. C. Liberato, J.K. Long, A. Taggi, T.P. Selby, M. Hanagan, E. Marshall, J. Bereznak, S. McCann, J. Bisaha AGRO 345. Mesoionic pyrido[1,2-α]pyrimidinones as insecticides. T. Briddell AGRO 346. Pyraziflumid as a novel SDHI fungicide: SARs and synthetic methods. M. Oda, T. Furuya, Y. Morish*ta, Y. Matsuzaki, M. Hasebe, N. Kuroki ‡

SECTION F Boston Convention & Exhibition Center Ballroom Pre-Function

Uses of Mass Spectrometry in Agricultural Research & Development: New Trends & Best Practices Cosponsored by AGFD, ANYL and ENVR J. Balcer, J. Ferguson, Organizers 11:30 – 2:00 AGRO 347. Improved extraction and SPE cleanup protocols for LC-MS determination of ractopamine and other betaagonist drugs in tissue samples. M.S. Young, K. Tran AGRO 348. Fate of pharmaceuticals and other micropollutants during reverse osmosis of source-separated human urine for agricultural fertilizer application. B. Wombacher, D.S. Aga AGRO 349. Improving chromatographic performance of underivatized anionic polar pesticides in food to overcome renowned analytical challenges. D. Shah, M.S. Young AGRO 350. Comparison of cleanup efficiency for multiresidue analysis of pesticides in soybean by liquid chromatography tandem mass spectrometry. S. Lee, J. Kim, K. Se-Yeon, Y.D. Lee, H. Kim, S. Cho AGRO 351. Global reconnaissance of antimicrobial residues in wastewater and surface waters. L. Angeles, D.S. Aga AGRO 352. Automatic MS data analysis to reveal the metabolic pathway of flonicamid in oranges. I. Zamora, B. Serra, E. Ortega-Carrasco, R. Romero Gonzalez, A. Garrido Frenich, R. López-Ruiz

SECTION F Boston Convention & Exhibition Center Ballroom Pre-Function

Vector-Borne Diseases: Role of Chemistry in Managing Risks to Humans, Domestics Animals, Aquaculture & Wildlife A. D. Gross, D. Swale, W. M. Williams, Organizers 11:30 – 2:00 AGRO 353. Assessing the environmental risk of pesticides, biopesticides, and anthelmintics used in managing vectorborne diseases. W.M. Williams, J. Amos, M.W. Guevara, A.M. Ritter

AGRO 354. Comparison of the patterns of resistance and cross-resistance to insecticides conferred by the two major mechanisms of pyrethroid resistance in Aedes aegypti. L.B. Smith, J.G. Scott AGRO 355. Chemical modulation of Aedes aegypti inward rectifier potassium ion channels prevents blood feeding and secretory activity of the salivary gland. A. Soohoo-Hui, D. Swale AGRO 356. Chemical inhibition of inward rectifier potassium (Kir) ion channels prevents feeding and salivation of the cotton aphid, Aphis gossypii. Z. Li, J. Davis, D. Swale AGRO 357. Altering K+ spatial buffering events through modulation of inward rectifier potassium (Kir) channels leads to nervous system failure and insect mortality. R. Chen, D. Swale AGRO 358. Biorational products are effective spatial mosquito repellents against mosquitoes of multiple genera. C.L. Corona, E.J. Norris, J.S. Klimavicz, J.R. Coats AGRO 359. Targeting ATP-sensitive inward rectifier potassium (KATP) channels to reduce the physiological burden of oxidative stress in European honey bees, Apis mellifera. C.J. Fellows, T. Anderson, D. Swale AGRO 360. High-throughput screening apparatus for evaluating spatial repellency and vapor toxicity of commercially available and candidate repellent compounds. S. Jiang, L. Yang, M. Tsikolia, U.R. Bernier, K. Linthicum, J.R. Bloomquist

Advances in Quality Assurance & Regulatory Affairs: Impact on the Future of the Food & Drug & Agrochemical Industry Sponsored by BMGT, Cosponsored by AGRO‡

Diet, Health & Gut Microbiome Sponsored by AGFD, Cosponsored by AGRO, BIOL, CARB and CELL

Environmental Obesogens: Exposure Pathways, Mechanism of Action & Trends Sponsored by ENVR, Cosponsored by AGRO

WEDNESDAY EVENING Chemistry of Struvite & Slow Release Fertilizers: From Fundamentals of Crystal Growth to Engineered Nutrient Recovery & Their Release Sponsored by ENVR, Cosponsored by AGRO

Environmental Health & Safety of Emerging Chemicals & Technologies Sponsored by ENVR, Cosponsored by AGRO‡

Environmental Obesogens: Exposure Pathways, Mechanism of Action & Trends Sponsored by ENVR, Cosponsored by AGRO

Novel Treatment Approaches for Emerging Contaminants in Groundwater Systems Sponsored by ENVR, Cosponsored by AGRO

Waste to Product: Biological & Physicochemical Resource Recovery & Efficiency Sponsored by ENVR, Cosponsored by AGRO

Water Reuse & Recycling: Innovative Solutions for Treatment & Implementation Sponsored by ENVR, Cosponsored by AGRO

THURSDAY MORNING SECTION A Boston Convention & Exhibition Center Ballroom East - Theater 1

AGRO-SETAC Joint Symposium: Challenges of Utilizing Higher-Tier Ecotoxicity Data in Risk Assessment & Risk Management of Pesticides Cosponsored by AGFD and ENVR Financially supported by SETAC North America S. Levine, Organizer G. P. Cobb, L. L. McConnell, Organizers, Presiding 8:25 Introductory Remarks. 8:30 AGRO 361. Facilitating engagement on regulatory science in agriculture. L.L. McConnell, I.D. Kelly, A. Ayers, D. Carley 8:55 AGRO 362. How higher-tier data can strengthen a pesticide risk assessment: examples with pyrethroids. J. Giddings, R. Jones, S.H. Jackson, T. Valenti

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AGRO 322. Photo-enhanced soil metabolism of atrazine. S. Habeeb, S.P. McLaughlin, M. Tuffy AGRO 323. Estrone in aquatic systems in the presence of poultry litter and cow manure: Determination of its fate, degree of mineralization, and changes in its endocrine disrupting potential. M.E. Guardian, D.S. Aga AGRO 324. Soybean response to dicamba and 2,4-D in simulated furrow irrigation. C.D. Willett, E. Grantz, J.A. Lee, M.N. Thompson, J.K. Norsworthy AGRO 325. Residual characteristics of triflumizole in water dropwort and shallot. J. Lee, H. Park, M. Jin, S. Jo, J. Lim, H. Shin, H. Noh, J. Lee, J. Kim, C. Kwon, J. Kim, T. Kim, K.S. Kyung AGRO 326. Changes of pyraclostrobin and its metabolite BF 500-3 residues in spinach and Korean cabbage. S. Jo, H. Park, M. Jin, J. Lee, J. Lim, H. Shin, H. Noh, J. Lee, J. Kim, C. Kwon, J. Kim, T. Kim, K.S. Kyung AGRO 327. Dissipation characteristics of cyflufenamide and fenvalerate residues in perilla leaves. J. Lim, H. Park, M. Jin, J. Lee, S. Jo, H. Shin, H. Noh, J. Lee, J. Kim, C. Kwon, J. Kim, T. Kim, K.S. Kyung AGRO 328. Residual characteristics of fosthiazate and imidacloprid in spinach. H. Shin, H. Park, M. Jin, J. Lee, S. Jo, J. Lim, H. Noh, J. Lee, J. Kim, C. Kwon, J. Kim, T. Kim, K.S. Kyung AGRO 329. Bioavailability of HBCD/TBB/TBPH from dust and oil vehicles in Sprague-Dawley rats. H. Hakk, S.J. Lupton, A. Singh AGRO 330. Interaction of glufosinate and Colletotrichum truncatum on ammonia levels and glutamine synthetase activity in hemp sesbania. R.E. Hoagland, C.D. Boyette, R.H. Jordan, K.C. Stetina

TECHNICAL PROGRAM

AGRO/ANYL 9:20 AGRO 363. Probabilistic model for assessing risk to bird species potentially exposed to seed treatment pesticides. D. Moore, S. Teed, C. Priest, T. Fredricks, L. Schuler 9:45 AGRO 364. Evaluation of potential impacts of insecticides on aquatic invertebrates: Higher tier evaluations for risk management. D.G. Dyer, J. Tang, S. McGee 10:10 Intermission. 10:30 AGRO 365. Opportunities and challenges of using NHDPlus connectivity data in refined modeling of aquatic exposure in flowing water bodies at the watershed scale. H. Rathjens, M. Winchell, P. Whatling 10:55 AGRO 366. Improving how we interpret results from the fish short-term reproduction assay (FSTRA) and the medaka extended one generation reproduction Test (MEOGRT). H. Krueger, D. Huggett, J. Wolf 11:20 AGRO 367. Leveraging product specific residue data to refine dietary ecological assessments. S. Levine 11:45 AGRO 368. Potential phototoxic response of Red Swamp Crayfish (Procambarus clarkii) to herbicides and fungicides. E.N. Vebrosky, W. Xu, L.M. Basirico, C.G. Lutz, K.L. Armbrust 12:10 Panel Discussion.

SECTION B Boston Convention & Exhibition Center Ballroom East - Theater 2

RNAi & Gene Editing: Utilization for Enhanced Crop Production Cosponsored by AGFD and ANYL P. Reibach, M. C. Ruebelt, Organizers, Presiding 8:25 Introductory Remarks. 8:30 AGRO 369. Biotechnology: RNAi, antisense oligonucleotides and CRISPR strategies to reduce psyllids and bacterial pathogens in citrus trees. W.B. Hunter 8:55 AGRO 370. Genome editing: Technology for creating genetic variation in crop plants. R. Gaeta 9:20 AGRO 371. Genetic improvement of potato by INNATE® and gene editing technologies. H. Duan 9:45 AGRO 372. Low-cost and scalable production of RNA via cell-free bioprocessing. J. Abshire, K. Ramachandriya 10:10 Intermission. 10:30 AGRO 373. SmartStax®PRO: The first commercial transgenic crop expressing insecticidal dsRNA to control corn rootworm. W. Moar, C. Khajuria, S. Evans, G. Head, T. Clark 10:55 AGRO 374. Midgut RNAi-based gene target for western corn rootworm control. A. Sethi 11:20 AGRO 375. RNAi - Registration requirements for risk assessment inputs. P. Reibach 11:45 AGRO 376. EPA registration of dsRNAi Plant Incorporated Protectants: Implications for gene edited products. K. Matthews 12:10 Concluding Remarks.

SECTION C Boston Convention & Exhibition Center Ballroom East - Theater 3

Contract Research, Good Laboratory Practices & Other Challenges for the Agrochemical Professional C. Lee, K. Watson, Organizers K. Daigle, K. Malekani, Organizers, Presiding J. Nag, Presiding 8:25 Introductory Remarks. 8:30 AGRO 377. Planning, performing, recording, reporting and archiving of analytical impurity profiling studies in compliance with principles of GLP. L. Sanghani 8:55 AGRO 378. Roles of the Study Director, Management, Sponsor and the Quality Assurance Unit: GLP test control, reference substance preparation and characterization. C. Lee, M. Coyle-Rees, V. Erikson 9:20 AGRO 379. Use of quality metrics to drive the culture of continual improvements. C. Hughes, P.M. Sarff, J. Dutton 9:45 AGRO 380. Best practices for obtaining samples of known quality. K. Watson 10:10 Intermission. 10:30 AGRO 381. EPA good laboratory compliance. D. Meyers 10:55 AGRO 382. Industry: A look at the challenges facing CROs in the 21st century. M.A. Ponte 11:20 AGRO 383. Safety evaluation: Transport of dangerous goods – guideline requirement, challenges and solution. J. Patel 11:45 Discussion. 12:10 Concluding Remarks.

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SECTION D Boston Convention & Exhibition Center Ballroom East - Theater 4

Legal Aspects of Agriculture, Agrochemicals & Agribusiness Cosponsored by AGFD and PROF R. Bennett, A. Coates, J. M. Van Emon, Organizers, Presiding 8:25 Introductory Remarks. 8:30 AGRO 384. View from ten thousand feet: How has agriculture been impacted by legal changes over the past 20 years? R.M. Bennett 8:55 AGRO 385. Introduction to the systems for agrochemical patent term extension across Europe. S. Adams 9:20 AGRO 386. Patenting the unpatentable? Opportunities for protecting trade secret processes under the America Invents Act. J.L. Krieger 9:45 AGRO 387. Resistance and trait considerations in plant protection products. J. Steffel 10:10 Intermission. 10:30 AGRO 388. Continuing evolution of the coordinated framework: Implications for agricultural biotechnology. K. Matthews 10:55 AGRO 389. Opportunities and challenges for obtaining and defending patents in genetically modified or altered agricultural products, in creating new life forms, and in improved in agrochemical processes. X. Pillai 11:20 AGRO 390. GMO patents in the courtroom. C.A. Burton 11:45 Discussion. 12:10 Concluding Remarks.

Drug Discovery: Cheminformatic Approaches Sponsored by CINF, Cosponsored by AGRO

10:40 ANYL 6. Nanoplasmonics for characterizing cell population heterogeneity. B.M. Reinhard 11:10 ANYL 7. Full 3D orientation and position determination of single anisotropic nanoparticles with dualfocus dark-field microscopy. N. Fang, X. Cheng, K. Chen 11:40 ANYL 8. Porous silicon nanoparticles as luminescent probes. M.J. Sailor

SECTION B Boston Convention & Exhibition Center Room 104B

Paper Devices for Bioanalysis C. Mace, Organizer M. R. Lockett, Organizer, Presiding 8:00 Introductory Remarks. 8:05 ANYL 9. Advances in paper-based fluidic devices. A.W. Martinez, N.W. Martinez, E. Strong, M.M. Troje 8:35 ANYL 10. Molecular technologies for robust detection of proteins in bodily fluids. H.D. Sikes 9:05 ANYL 11. Methods for blood preparation and analysis using paper-based devices. C. Mace, S. Fernandes, J.C. Brooks, K.R. Baillargeon, L.P. Murray 9:35 Intermission. 9:50 ANYL 12. Electrochemistry on paper and string. G.M. Whitesides 10:20 ANYL 13. Porous microfluidic sensors for field use. E. Fu 10:50 ANYL 14. Issues of the nano-bio interface in paper based immunoassays. K. Hamad-Schifferli 11:20 ANYL 15. Generating signal at converging liquid fronts in three-dimensional paper-based microfluidic devices. D. Wilson, R. Parker, C. Mace 11:50 ANYL 16. Single cell detection in raw sample by a piece of membrane. X. Lin, X. Huang, M.R. Hoffmann

SECTION C Boston Convention & Exhibition Center Room 104C

ANYL

Division of Analytical Chemistry L. Baker and M. Bush, Program Chairs OTHER SYMPOSIA OF INTEREST: Structures and Functions of Glycans (see CARB, Sun, Mon) Environmental Nanometrology (see ENVR, Sun) From Lab to Tap: Implications of Scaling up Nano-enabled Environmental Technologies (see ENVR, Wed) Microplastic Pollution: Sources, Sinks, and Solutions (see ENVR, Mon) SOCIAL EVENTS: ANYL Reception, 5:00 PM: Tue

SUNDAY MORNING SECTION A Boston Convention & Exhibition Center Room 104A

Nanotechnology & Single Cell Analysis in Biology & Medicine: Next Frontier Cosponsored by BIOL, COLL, MPPG and PHYS X. Xu, Organizer, Presiding 8:00 ANYL 1. Development of new luminescent and single molecule optical probes for bio-imaging inside by energy conversion application. P. Alivisatos 8:30 ANYL 2. Super bright luminescent Ag and Au nanoparticles for imaging and sensing. H. Dai 9:00 ANYL 3. Imaging organelle interactions at superresolution for almost forever and in multiple colors. A. Schepartz 9:30 ANYL 4. Multifunctional size-dependent drug nanocarriers for probing multidrug membrane transporters of single live cells. X. Xu, P. Songkiatisak, P. Cherukuri, F. Ding, T. Huang 10:00 Intermission. 10:10 ANYL 5. Low photodamage label-free imaging of single cell activity aimed at mapping neuronal activity. M. Didier, O. Tarun, S. Roke

Technical Developments & Applications of Optical Chemical Imaging Cosponsored by BIOL‡, COLL and PHYS‡ G. Wang, Organizer N. Fang, Organizer, Presiding 9:00 Introductory Remarks. 9:05 ANYL 17. Bond-selective phase contrast microscopy at sub-micron spatial resolution and millisecond temporal resolution. J. Cheng, D. Zhang, L. Lan 9:30 ANYL 18. Resolving single protein dynamics at polymer interfaces. C.F. Landes 9:55 ANYL 19. Developing three-dimensional single particle tracking in complicated environment using deep learning neural networks. Y. Zhong, H. Zhou, G. Wang 10:15 Intermission. 10:30 ANYL 20. Live-cell bioorthogonal chemical imaging. W. Min 10:55 ANYL 21. Nanophotonic technologies for singlemolecule microscopy and spectroscopy. R.H. Goldsmith 11:20 ANYL 22. Peakforce infrared microscopy: Noninvasive correlative infrared and mechanical imaging at sub 10nm spatial resolution. X. Xu, L. Wang, H. Wang, D.S. Jakob 11:40 ANYL 23. Development of combinatorial spectromicroscopic system for understanding nanoscale and mesoscale structures and dynamics. F. Zhao

SECTION D Boston Convention & Exhibition Center Room 105

Student Organized Symposia: Supramolecular Analytical Chemistry Cosponsored by YCC Financially supported by ACS Sensor; College of Arts & Science, and Department of Chemistry and Biochemistry, the University of Alabama; ISS, Inc. M. Ihde, X. Liang, J. Tropp, Y. Xu, Organizers, Presiding 8:00 Introductory Remarks. 8:10 ANYL 24. Auto-inductive cascades and differential sensing: A union of physical organic chemistry and analytical sciences. E.V. Anslyn 8:50 ANYL 25. High-content screening of anti-cancer therapeutics using gold nanoparticle-fluorescent protein supramolecular sensors. Y. Geng, N. Le, S. Rana, H. Goel, T. Yoshii, A. Mercurio, V.M. Rotello 9:10 ANYL 26. Sensing fluoride and cyanide anions in water using cationic main group Lewis acids. F.P. Gabbai 9:40 ANYL 27. Photo-responsive molecular baskets capable of removing/releasing targeted molecules in water. J. Badjic

Environmental Behaviors & Health Effects of Pollutants: A Symposium in honor of Professor Guibin Jiang

SECTION E

Sponsored by PRES, Cosponsored by AGFD, ANYL, BIOL, BMGT, CA, CARB, CCS, CHAS‡, CINF, COLL, CPT, ENFL, ENVR, I&EC, ORGN, PROF and SCHB

Boston Convention & Exhibition Center Room 106

Sponsored by ENVR, Cosponsored by ANYL and GEOC

Merck Research Award Symposium Sponsored by WCC, Cosponsored by ANYL, COMP, MEDI and PROF

Moving the Safety Values of the ACS Forward

Analytical Technology & Application Innovations in Pharma

Environmental Nanometrology

E. Jameson, Organizer, Presiding M. Strohmeier, Presiding 9:00 Introductory Remarks. 9:05 ANYL 31. Innovation and novel applications for pharmaceutical analysis. P. Faustino 9:25 ANYL 32. Drug quality assurance to combat counterfeit Streptomycin and Rifampicin using facile, low cost colorimetry. M.R. Foster, S. Williams 9:40 ANYL 33. Purity analysis of volatile/reactive building block chemicals without UV chromophore by HPLC-charged aerosol detection. L. Dai 9:55 ANYL 34. Biomarker quantitation by HILIC LC-MSMS. S. Tentarelli 10:10 ANYL 35. Development of a two-dimensional liquid chromatography method for functionalized high molecular weight polyethylene polymer analysis. J. Wang, S. Yang, K. Zhang 10:25 Intermission. 10:40 ANYL 36. Solid state NMR spectroscopy as an advanced characterization tool for pharmaceutical solids to support regulatory science. A. Mohammad, P. Faustino 10:55 ANYL 37. Mid-infrared photothermal imaging of active pharmaceutical ingredients at submicrometer spatial resolution. C. Li, D. Zhang, J. Cheng 11:10 ANYL 38. Image analysis for calibration-free determination of crystallinity in amorphous solid dispersions. A. Sherman, P. Stroud, J. Hinds, C. Smith, G.J. Simpson 11:25 ANYL 39. Triboluminescence instrumentation for analysis of residual crystallinity in amorphous pharmaceutical formulations. S. Griffin, C. Smith, G. Eakins, S. Zhang, J. Novak, Z. Liu, T.A. Rhodes, G.J. Simpson 11:40 Concluding Remarks.

Advances in Sensors & Biosensors for Environmental Monitoring

SECTION F Boston Convention & Exhibition Center Room 107A

Nanoelectroanalytical Chemistry for Biological & Material Sciences S. Amemiya, Organizer, Presiding J. Kim, M. Shen, Presiding 8:00 ANYL 40. Electroanalytical evaluation of metal and metal oxide nanoparticles by nano-impact electrochemistry: Methodology and analytical applications. E. Andreescu, K. Kirk, F.H. Narouei, A. Karimi 8:25 ANYL 41. Nanostructured microsensors for monitoring circulating nucleic acids. J. Das, S.O. Kelley 8:50 ANYL 42. Three-dimensional polyfilter interface for sensitive and selective detection of low-molecular-weight biomarker using potentiometric biosensor. S. Nish*tani, T. Sakata 9:15 ANYL 43. Bipolar electrode-induced electrokinetic effects in nanochannels generate fluorescence enhancement and sharp pH gradients in the absence of a voltage bias. K. Scida, N. Arroyo-Currás, Y. Satik, A. Eden, J.C. Eijkel, S. Pennathur 9:40 ANYL 44. Enhanced electron transfer mediated by conjugated polyelectrolyte and its application to washingfree DNA detection. S. Park, H. Woo, H. Yang 10:05 Intermission. 10:15 ANYL 45. Core/shell nanorods based dielectrophoresis for biomarker concentration and detection. J. Fu, Z. Cao, Y. Zhu 10:40 ANYL 46. Development of nanostructural biochips for various types of cancer marker determination. F. Ko 11:05 ANYL 47. Detection and discrimination of isomeric volatile organics on the surface of zinc ferrite chemi-resistor. K. Mukherjee, M. Zaghloul 11:30 ANYL 48. Dual-emitting-based sensing nanomaterials. H. Tantan, C. Wang, C. Wang 11:55 Concluding Remarks.

Sponsored by ENVR, Cosponsored by ANYL and GEOC

Sponsored by ENVR, Cosponsored by ANYL and BIOL

SUNDAY AFTERNOON SECTION A Boston Convention & Exhibition Center Room 104A

Nanotechnology & Single Cell Analysis in Biology & Medicine: Next Frontier Cosponsored by BIOL, COLL, MPPG and PHYS X. Xu, Organizer, Presiding 1:30 ANYL 49. Protein quantification in single cancer cells using single molecule arrays. D.R. Walt, J. Geldart Flashman 2:00 ANYL 50. Highly multiplexed and high-throughput analysis of single cells. D.T. Chiu 2:30 ANYL 51. Mass cytometric analysis of single-cell cells. E.A. Arriaga, H. Brown 3:00 ANYL 52. Nanoparticle medicated single-cell analysis using magnetic ranking cytometry. M. Labib, S.O. Kelley 3:20 Intermission. 3:30 ANYL 53. Microengineered tools for advancing preclinical and clinical research. N.L. Allbritton 4:00 ANYL 54. Dynamic profiling of anti-tumor immune response at the single-cell resolution by droplet microfluidic cell pairing. T. Konry 4:30 ANYL 55. Transient absorption microscopy for single cell analysis: Seeing chromophores that do not fluorescence. J. Cheng 5:00 ANYL 56. Multiplex single-cell detection of cytokines by barcoded microarray method. M. Abdullah, J. Wang

SECTION B Boston Convention & Exhibition Center Room 104B

Paper Devices for Bioanalysis M. R. Lockett, Organizer C. Mace, Organizer, Presiding 1:30 Introductory Remarks. 1:35 ANYL 57. Innovating beyond the test strip for paper diagnostics. A.A. Kumar 2:05 ANYL 58. Paper-based cultures to screen for drug resistance and hormone sensitivity. M.R. Lockett 2:35 ANYL 59. Merging electronic bacteria with paper. S. Choi 3:05 Intermission. 3:20 ANYL 60. Probing tumour-stroma interactions and the impact of matrix density using paper-based TRACER culture. A.P. McGuigan, T. Dean, D. Rodenhizer, L. Ailles 3:50 ANYL 61. Lab-on-paper: Designing paper-based diagnostic devices for translation and automation. F.W. Kimani, M. Fratzl, B.S. Chang, B.J. Kwasa, N.M. Dempsey, T. Ward, J. Bloch, M.M. Thuo 4:20 ANYL 62. Electrochemical quantification of potassium on paper-based devices. D. Wilkins, I.A. Taylor, F. Deiss 4:50 ANYL 63. Paper-based devices for biothiols sensing using the photochemical reduction of silver halides. D. Christodouleas, D. Giokas 5:20 ANYL 64. Design of SERS nanotags for the multiplexed detection of dengue and zika in lateral flow assay. M. Sánchez-Purrà, M. Carre-Camps, H. de Puig, I. Bosch, L. Gehrke, K. Hamad-Schifferli

SECTION C Boston Convention & Exhibition Center Room 104C

Technical Developments & Applications of Optical Chemical Imaging Cosponsored by BIOL‡, COLL and PHYS‡ N. Fang, Organizer G. Wang, Organizer, Presiding 1:30 ANYL 65. Single-molecule imaging of nanocatalytic dynamics. P. Chen 1:55 ANYL 66. Measuring the nanometer-scale effects of plasmonic coupling with single-molecule microscopy. J.S. Biteen 2:20 ANYL 67. Catalysis and spectroscopy of single nanoparticle. X. Zhou, Y. Du, T. He, S. Xi, W. Wang 2:40 ANYL 68. In situ visualization of electrocatalytic reaction activity at quantum dots for water oxidation. Y. Chen, D. Jiang, J. Zhu 2:55 ANYL 69. Watching carbon fixation on a plasmonic catalyst nanoparticle. P.K. Jain 3:20 Intermission. 3:35 ANYL 70. Quantitative single-molecule and single particle study of catalytic reaction kinetics in versatile nanoconfinement under Operando condition. B. Dong, N. Fang, Y. Pei, W. Huang 4:00 ANYL 71. Revealing the effect of quantum size confinement on nanocatalysis at single cluster level. W. Xu 4:20 ANYL 72. Monitoring the dynamic photocatalytic activity of single CdS nanoparticles by fluorescently labeling H2 nanobubbles. H. Su, Y. Fang, F. Chen, W. Wang

SECTION D Boston Convention & Exhibition Center Room 105

Student Organized Symposia: Supramolecular Analytical Chemistry Cosponsored by YCC Financially supported by ACS Sensor; College of Arts & Science, and Department of Chemistry and Biochemistry, the University of Alabama; ISS, Inc. M. Ihde, X. Liang, J. Tropp, Y. Xu, Organizers, Presiding 1:30 Introductory Remarks. 1:35 ANYL 73. Lipid detection by a multi-component fluorescent sensor system. M. Xu, C.W. Littlefield, T.E. Glass 2:05 ANYL 74. Investigation into the mechanochemical properties of single artificial molecular switches by AFM. D. Sluysmans, S. Hubert, F. Devaux, C.J. Bruns, Z. Zhu, A. Duwez, J.F. Stoddart 2:25 ANYL 75. Improving affinity and solubility of supramolecular receptors in aqueous media using dendritic scaffolds. M. Bonizzoni 2:55 ANYL 76. Supramolecular approaches to targeting, sensing, and treating solid tumors. J.L. Sessler 3:25 Intermission. 3:35 ANYL 77. Supramolecular receptors for anions: Emerging applications in industrial and agricultural sensing. S.A. Fontenot, D.H. Banning, J. Lohrman, H.A. Fargher, L.M. Eytel, M.M. Haley, D.W. Johnson 4:05 ANYL 78. Confinement of water pentamers within the crystals of a reduced cyclotribenzoin. M.A. Alrayyani, X. Wang, O. Miljanic 4:25 ANYL 79. Construction of an autonomously concatenated hybridization chain reaction for signal amplification and intracellular imaging. J. Wei, F. Wang 4:45 ANYL 80. Supramolecular chemistry of interfaces: Dynamic droplet sensors. T.M. Swager 5:25 Concluding Remarks.

SECTION E Boston Convention & Exhibition Center Room 106

Student Organized Symposia: Preparative Mass Spectrometry: Recent Advances & Applications Cosponsored by YCC P. Su, Organizer, Presiding H. Hu, Presiding 1:30 ANYL 81. Model cluster catalysis and electrocatalysis by size-selected cluster deposition. T.J. Gorey, A.C. Cass, G. Li, E.T. Baxter, S.L. Anderson 2:00 ANYL 82. High-coverage deposition of mass-selected cluster anions: Fundamentals and applications. J. Laskin, P. Su, V. Prabhakaran, G.E. Johnson, J. Warneke 2:30 ANYL 83. Preparation of model nanocatalysts using size-selected cluster deposition. M.G. White, M. Xue, K. Goodman, Y. Ma, J. Wang 3:00 ANYL 84. Dynamics of protonated dialanine adsorption on and desorption from a F-SAM surface. W.L. Hase

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TECHNICAL PROGRAM

10:10 Intermission. 10:20 ANYL 28. Simple sensor arrays for not-so-simple analyses. P. Anzenbacher 10:50 ANYL 29. The Hofmeister and inverse Hofmeister effects. B.C. Gibb 11:20 ANYL 30. Conjugated polyelectrolytes as supramolecular sensing materials. K.S. Schanze, Z. Li, Y. Huang 11:50 Concluding Remarks.

TECHNICAL PROGRAM

ANYL 3:30 ANYL 85. Molecular properties of clusters determine the bulk behavior of cluster films. G.E. Johnson, J. Warneke, J. Laskin, V. Prabhakaran, A. Federov 4:00 ANYL 86. In situ infrared and electrochemistry approach for studying the structural evolution of soft-landed ions at electrochemical interfaces. P. Su, V. Prabhakaran, G.E. Johnson, J. Laskin

SECTION F Boston Convention & Exhibition Center Room 107A

Nanoelectroanalytical Chemistry for Biological & Material Sciences S. Amemiya, Organizer, Presiding A. Boika, Presiding 1:30 Introductory Remarks. 1:35 ANYL 87. Boron-doped diamond and tetrahedral amorphous carbon: Next-generation electrodes for electroanalysis. G. Swain 2:10 ANYL 88. AC polarized microelectrodes as a novel tool for electroanalysis: Collisions and more. A. Boika, J.A. Bonezzi, A. Frkonja-Kuczin, Z. Zhao 2:45 ANYL 89. Nanoemulsions for biomedical/ electrochemical application: A comprehensive study on the nanostructural effect. J. Kim 3:20 Intermission. 3:35 ANYL 90. Quantitation with differential scanning ion conductance microscopy. L.A. Baker 4:10 ANYL 91. Studying acetylcholine neurotransmission at single synapse with nanoelectrodes. M. Shen 4:45 ANYL 92. Nanoscale scanning electrochemical microscopy for overcoming limitations of microscale electroanalysis. S. Amemiya

Moving the Safety Values of the ACS Forward Sponsored by PRES, Cosponsored by AGFD, ANYL, BIOL, BMGT, CA, CARB, CCS, CHAS‡, CINF, COLL, CPT, ENFL, ENVR, I&EC, ORGN, PROF and SCHB

Environmental Behaviors & Health Effects of Pollutants: A Symposium in honor of Professor Guibin Jiang Sponsored by ENVR, Cosponsored by ANYL and GEOC

Structures & Functions of Glycans Sponsored by CARB, Cosponsored by ANYL, BIOL, CELL, MEDI and ORGN

Environmental Nanometrology Sponsored by ENVR, Cosponsored by ANYL and GEOC

SETAC-ENVR Joint Symposium: Legacy & Emerging Organic Contaminants in the Great Lakes, Seas & Oceans Sponsored by ENVR, Cosponsored by ANYL and GEOC

Advances in Sensors & Biosensors for Environmental Monitoring Sponsored by ENVR, Cosponsored by ANYL and BIOL

SUNDAY EVENING SECTION G Boston Convention & Exhibition Center Exhibit Hall B2/C

Analytical Division Poster Session L. A. Baker, Organizer 7:00 – 9:00 ANYL 93. Novel signal amplifiable mercury detection method based on DNA conjugated upconversion nanoparticles. A. Nanattuchirayil Vijayan, P. Zhang ANYL 94. Characterization of the non-covalent interactions between poly (styrene sulfonate) and peptides using multistage tandem mass spectrometry. B. Wei, S. Gerislioglu, M. Atakay, B. Salih, C. Wesdemiotis ANYL 95. A disposable label-free amperometric immunosensor based on poly (vinyl alcohol-co-ethylene) nanofibers for detecting residual antibiotics in foods. A. El-Moghazy, C. Zhao, Y. Si, N. Amaly, G. Sun ANYL 96. Electrochemical monitoring of protein-driven silver nanoparticle dissolution. Z.J. O’Dell, D. Boehmler, K. Wheeler, K.R. Riley ANYL 97. Biosenors printed on paper and embedded with functional nanoparticle assemblies for human performance monitoring. S. Yan, C.S. Soni, B.L. Perris, S.E. Ruiz, C.L. Ghazvini, J. Lombardi, J. Luo, B.S. Hsiao, M.D. Poliks, C. Zhong

90

ANYL 98. Low-voltage driven portable paper bipolar electrode-supported electrochemical sensing device. C. Wang, W. Liao ANYL 99. Highly sensitive non-enzymatic lactate biosensor driven by porous nanostructured nickel oxide. K. Sungjin, W. Yang, H. Kim, Y. Park, H. Lee, S. Seo ANYL 100. Developing tools for high resolution mass spectrometry-based screening via the EPA’s CompTox Chemistry Dashboard. A. McEachran, K. Mansouri, H. AlGhoul, C. Grulke, J. Sobus, A.J. Williams ANYL 101. Synthesis and characterization of pyridine carboxaldehydes Schiff bases and derivatives and their applications as chemical sensors. M.K. Hussein, Y.M. Hijji ANYL 102. On-line detection of Ag nanoparticles released from household water purification filters by electrodialyzersingle particle ICP-MS. F. Lin, C. Chang, L. Yi-hung, I. Hsu ANYL 103. Construction of low-cost biamperometry microscale equipment with local materials for Karl Fischer water titration. F.J. Olvera-Garcia, A.D. García Mendoza, A. De Santiago-Zárate, A. Baeza Reyes ANYL 104. Electrochemical reactions at microelectrode arrays. N. Siepser, B. Choi, S. Jeong, X. Ye, L.A. Baker ANYL 105. Immuno-capture laser ionization mass spectrometry: Gold and silver nanoparticles as mass tags for high mass protein imaging. Y. Cheng, T. Tam, S. Chau, S. Lai, K. Ng ANYL 106. Comparison of stirbar sorptive and liquid extraction techniques via volatile analysis of blood orange fruit pulp. B. Gates, A. Tucker, R. Weiland ANYL 107. Identification of the decarboxylated analog of Pigment Red 57 and its quantification in the color additives D&C Red Nos. 6 and 7 using UHPLC. M. Perez-Gonzalez, C.D. Ridge, A. Weisz ANYL 108. Preparation of a new graphene based biosensor modified with nanoparticles and nafion for the detection of glucose. D. Akin ANYL 109. Hydrazine functionalized probes for chromogenic and fluorescent ratiometric sensing of pH and F- through experimental and theoretical studies. A. Roy Chowdhury, P. Banerjee ANYL 110. High throughput and micro-scale purification of mucins. W.W. Wu, J. Phue, S. Yang, J.F. Cipollo, G. Zou, T. Ju, R. Shen ANYL 111. Synthesis, optimization, and bioconjugation of electrochemically synthesized magnetic nanoparticles to induce irreversible damage to Glioblastoma invasive rim cells. M.A. Tovar, L.C. Giancarlo ANYL 112. Electrochemical detection of bacterial 16S rRNA gene using a biosensor based on poly-adenine tailed DNA probe. L. Li, Y. Li, Y. Wen, L. Wang, W. Liang, X. Yang, J. Meng, M. Duan, M. Ding, G. Liu ANYL 113. Absolute quantitation of cardiolipin, phosphatidylglycerol, and lysyl-phosphatidylglycerol using HILIC based separation coupled to a Q Exactive Plus mass spectrometer. E.D. Tague, J. Harp, B. Woodall, E. Fozo, S.R. Campagna ANYL 114. Controllable design of polycrystalline synergistic electrochemical biosensors for antineoplastic drug in mammalian cells. H. Zhou, J. Masson, Q. Song ANYL 115. Electrochemical sensor for sensitive and selective detection of liver cancer cells based on folic acid and octadecylamine functionalized graphene aerogel. R. Li ANYL 116. Liquid extraction through nanopipette probes for mass spectral analysis. G. Jagdale, N. Siepser, L.A. Baker ANYL 117. Optical fiber based localized surface plasmon resonance biosensor prepared by self-assembled gold nanoparticles on block copolymer monolayer. M. Lu, H. Zhu, C. Bazuin, W. Peng, J. Masson ANYL 118. A novel reverse polarity negative ion mode capillary isoelectric focusing - Mass spectrometry method for the separation and online characterization of glycosaminoglycan. H. Xiaorui, R.J. Linhardt ANYL 119. Detection and characterization of dopamine dynamically using electrochemical impedance spectroscopy. J. Reyes Morales, N.M. Rivera Serrano, C. Fuster, L. Cunci ANYL 120. Protein adsorption on nanoscale diblock copolymer surfaces. A. Misiura, N. Moringo, C. Dutta, H. Shen, C.F. Landes ANYL 121. Structural analysis and potential applications of non-anticoagulant heparin. O. Yilan, R.J. Linhardt, F. Zhang ANYL 122. An enzymatic electrochemical biosensor for real-time nicotine detection. U. Kuzmanovic, M. Chen, M.A. Tararina, N.S. Shu, A. Balijepalli, M. Zamani, A. Fan, C. Klapperich, K.N. Allen, M.W. Grinstaff, J. Galagan ANYL 123. Optimizing subsecond guanosine detection using fast-scan cyclic voltammetry. M.T. Cryan, A.E. Ross

ANYL 124. Effect of relative humidity on the phase and chemical properties of cis-3-hexenyl acetate derived secondary organic aerosol. K.B. Fischer, G. Petrucci ANYL 125. Fast determination of β-cyclodextrin-Guest binding constants by fluorescence spectroscopy approach. X. Zhou ANYL 126. Development of a sandwich-typed assay for nucleic acids using surface-enhanced Raman scattering. R. Ota, A. Kobori ANYL 127. Melanin extraction and concentration analysis from Dumetella carolinensis feathers. J. Esposito, W.B. Hammert, R. Smith, M. Hatch, K.A. Stumpo ANYL 128. Esterification of phosphonic acids in organic matrices for their enhanced detection by EI-GCMS. C.A. Valdez, R.N. Leif ANYL 129. Methylation of phosphonic acids related to nerve agents and their subsequent analysis by EI-GC-MS and GCFPD. C.A. Valdez, R.N. Leif, S. Hok, A. Alcaraz ANYL 130. Highly sensitive, colorimetric, paper-based devices for the detection of nitrate in marine ocean environments. T. Mako, J. Racicot, M. Levine ANYL 131. Cobalt oxide multiwalled carbon nanotube composites for dopamine sensing. M. Kader, C. Chusuei ANYL 132. Colorimetric BRCA1 detection based on a 3D DNA nanostructured reporter probe. Y. Wen, Y. Li, L. Li, X. Yang, L. Wang, W. Liang, M. Ding, G. Liu ANYL 133. Modification of cellulose with cyclodextrin derivatives for solid state detection of toxicants. J. Racicot, T. Mako, M. Levine ANYL 134. Construction and characterization of solid-state sensors based on tungsten oxides used for the determination of acidity in dairy samples. D.V. Gutiérrez Núñez, A.d. García Mendoza, J.C. Aguilar, A. Baeza Reyes ANYL 135. Surface-enhanced Raman detection of glucose on different substrates for biosensing applications. L. Alqarni ANYL 136. Chemiluminescent aptasensor capable of rapidly sensing prostate-specific antigen in human serum using a dual-aptamer and paramagnetic bead. K. Kim, M. Kim, P. Park, J. Lee ANYL 137. Cost-effective and easy-to-use biosensor capable of rapidly sensing MicroRNA-25 for the early diagnosis of human cancer. P. Park, K. Kim, M. Kim, J. Lee ANYL 138. Simultaneous analysis of sugar components in 18F-FDG injection as their PMP derivatives by high performance liquid chromatography on a UV detector. R.N. Nair, A. Lebedev ANYL 139. Double chemiluminescence enzyme immunoassays capable of simultaneously quantifying CA 19-9 and CEA in a sample. Y. Lee, H. Moon, J. Lee ANYL 140. Electrochemiluminescence DNA biosensor for Hg(II) based on the catalysis of MoS2-Au-hemin nanocomposites and the signal amplification of luminol. T. Kang ANYL 141. Chemiluminescent biosensor for the early diagnosis of prostate cancer utilizing two distinct biomarkers. J. Chong, J. Lee ANYL 142. Positive feedback and theory in hot-tip scanning electrochemical microscopy. Z. Zhao, A. Boika ANYL 143. Investigations in magnesium battery technology. B. Basanty, S. Cora, N. Sa ANYL 144. Control membrane fouling in membrane distillation. M. Humoud ANYL 145. Instrumental analysis of methyl salicylate, both commercially and experimentally derived. M. Pizana, H. Price, J.R. Cole ANYL 146. Enhanced detection of lead and arsenic using electrokinetic techniques coupled with stripping voltammetry. J.A. Bonezzi, A. Hohenshil, A. Boika ANYL 147. Targeted metabolomics reveals altered fatty acid metabolism in the host by Huanglongbing disease. J. Suh, Y. Niu, Z. Wang, F. Gmitter, Y. Wang ANYL 148. Analysis and identification of ppb levels of VOC’s in ambient air via GC-PID-FID. J.N. Driscoll, J.L. Maclachlan ANYL 149. Determination of benzocaine concentrations in aqueous solutions using carbon screen-printed electrodes and cyclic voltammetry. D.E. Martyn, S.K. Buehler ANYL 150. Distributed Pharmaceutical Analysis Laboratory (DPAL): Metformin analyzed via HPLC. M. Alamgir, B. Boleslav, R.E. Goacher ANYL 151. Density, conductivity, and viscosity of 1-ethyl3-methylimidazolium methylphosphonate ionic liquid and the effect of adding molecular liquids. M. Thakurathi, V. Thalangamaarachchige, E.L. Quitevis ANYL 152. Detection and characterization of ZnO nanoparticles in seawater using SP-ICPMS coupled with electrodialyzer. I. Hsu, Y. Liu, F. Lin

ANYL 181. Using isotope substitution to study hightemperature vapor-phase chemical pathways. D. Weisz ANYL 182. A rapid and economical analytical method for the quantification of H2O2 in industrial treated effluents. A. Ghauch, O.N. Tantawi, A. Baalbaki, R. El Asmar ANYL 183. Terahertz multispectral reconstructive imaging of nanomaterials with sub-nanometer resolution. A. Rahman ANYL 184. Cellulose nano-composites nanostructure characterized by terahertz reconstructive imaging and spectroscopy. A. Rahman, K. Nelson, D. Afzal, M. Parvin ANYL 185. Chemically modified cellulose nano-composites for strong UV reflection and hydrophobicity. D. Afzal, M. Parvin, A. Rahman ANYL 186. Terahertz vibrational mode imaging of molecules in real-time. S.R. Kothapalli, A. Dangi, S. Agrawal, G.R. Datta, A.K. Rahman, A. Rahman ANYL 187. Self-standing aptamers by an artificial defect-rich matrix. C. Chen, W. Liao ANYL 188. Highly sensitive bio-recognition of cancer cells based on biosynthesized nanoclusters. X. Wang ANYL 189. Second harmonic generation microscopy of API nucleation and growth. S. Sarkar, G.J. Simpson ANYL 190. Cardboard, string, and a hacksaw: Productive no-cost modifications to open-bed autosamplers. S. Tentarelli ANYL 191. Dual-emissing carbon dots-based nanothermometers. H. Tantan ANYL 192. Novel electrochemical microfluidic chip for multicomponent analysis in renal function examination. Y. Li, J. Liu ANYL 193. Rapid detection of enzymes, viruses, and bacteria using glucose meters. A. Das, V. Chivukula, S.S. Iyer ANYL 194. Determination of zinc oxide in sunscreen using ion chromatography with visible absorbance detection. H. Yang ANYL 195. Determination of gentamicin and related impurities in gentamicin sulfate. J. Hu, J. Rohrer ANYL 196. Rapid antimicrobial susceptibility test based on large-volume light scattering microscopy. M. Mo ANYL 197. Development of infrared library search prefilters for automotive clear coats from simulated attenuated total reflection spectra. B.K. Lavine, U. Perera, K. Nishikida ANYL 198. Structural base analysis of production and purification of human leukemia Interferon. Y.S. Ting ANYL 199. In-situ growth of well-ordered NiFe-MOF-74 on Ni foam by Fe2+ induction as an efficient and stable electrocatalyst for water oxidation. C. Xu ANYL 200. V2O5 nanosheets as nanozyme with peroxidaselike activity for rapid and sensitive detection of glutathione. A.B. Ganganboina, R. Doong ANYL 201. Single-nucleotide polymorphism detection via ultrathin-film field-effect transistors. K.M. Cheung, J.M. Abendroth, N. Nakatsuka, B. Zhu, Y. Yang, A.M. Andrews, P.S. Weiss ANYL 202. Metabolic mechanism of cysteine-protected fluorescent gold nanoclusters in Escherichia coli. T. Chang, K. Chen, S. Tan, J. Kuo, X. Pan, T. Kuo ANYL 203. Non-fouling, encoded hydrogel particles for multiplex microRNA profiling directly from formalin-fixed paraffin embedded tissue. M.B. Nagarajan, A. Tentori, W. Zhang, F. Slack, P.S. Doyle ANYL 204. Development of an electrochemical detection system for CpG methylation of human genome using methyl CpG binding domain and zinc finger protein. J. Lee, W. Yoshida, D. Hiraoka, A. Tatsumi, K. Abe, K. Nakabayashi, H. Wakeda, K. Hata, C. Marquete, L.J. Blum, K. Sode, K. Ikebukuro ANYL 205. Multiplex microRNA assays from raw cells in isolated nanoliter well arrays. A.M. Tentori, M.B. Nagarajan, J. Kim, W. Zhang, F. Slack, P.S. Doyle

MONDAY MORNING SECTION A Boston Convention & Exhibition Center Room 104A

Nanotechnology & Single Cell Analysis in Biology & Medicine: Next Frontier Cosponsored by BIOL, COLL, MPPG and PHYS X. Xu, Organizer, Presiding 8:00 ANYL 206. Controlling cellular architecture and fate with nanopatterned substrates. C.A. Mirkin 8:30 ANYL 207. Biomimetic nanoparticles and cellular functions. N. Kotov 9:00 ANYL 208. Investigation of chemical constituents responsible for PM2.5 induced oxidative stress using synthesized carbon black nanoparticles. K. Zhao, L. Guo

9:30 ANYL 209. Quantifying the cellular uptake and subcellular distributions of nanoparticles. Y. Xia 10:00 Intermission. 10:10 ANYL 210. Stimuli-responsive control of gold nanoparticle cellular uptake using host-guest interactions. J. Mosquera Mosquera, M. Henriksen-Lacey, I. García, M. Martínez-Calvo, J. Rodríguez, J.L. Mascarenas, L. Liz Marzan 10:40 ANYL 211. 3D single particle tracking discloses diffusion modes on solid supported lipid bilayer. Y. Zhong, G. Wang 11:10 ANYL 212. Big data from little objects: Omics results from nanoparticle/cell systems. C.J. Murphy 11:40 ANYL 213. Detection and characterization of single polymer nanoparticles with surface plasmon resonance imaging microscopy. A. Maley, B. Matthews, R.M. Corn

SECTION B Boston Convention & Exhibition Center Room 104B

Technical Developments & Applications of Optical Chemical Imaging Cosponsored by BIOL‡, COLL and PHYS‡ G. Wang, Organizer N. Fang, Organizer, Presiding 9:00 ANYL 214. Monitoring the interactions of small organic molecules at lipid membrane interfaces. P.S. Cremer 9:25 ANYL 215. Spectrally resolved and functional super-resolution microscopy via ultrahigh-throughput singlemolecule spectroscopy. K. Xu 9:50 ANYL 216. Single-molecule imaging methods to understand the kinetics of three-component DNAhybridization systems. E.M. Peterson, W. Li, M.W. Manhart, F.D. Morris, J.M. Harris 10:15 Intermission. 10:30 ANYL 217. Tracking molecules and nanoparticles to probe confined environments. D.K. Schwartz 10:55 ANYL 218. Spectroscopic single molecule tracking and related methods for probing the local dielectric properties of nanomaterials. D.A. Higgins, D. Giri, R. Kumarashinghe, Z. Li, H. Xu, M.M. Collinson, T. Ito 11:20 ANYL 219. Surface diffusion of nanocar molecules disclosed by single molecule fluorescence microscopy. T. Jin, V. García-López, J.M. Tour, G. Wang 11:35 ANYL 220. Protein dynamics on the stimuliresponsive nanogel surface and inside nano-cavities. C. Dutta, A. Misiura, N. Moringo, C.F. Landes

SECTION C Boston Convention & Exhibition Center Room 104C

Wearable & Implantable Sensors M. A. Daniele, L. Deravi, Organizers, Presiding 8:30 Introductory Remarks. 8:35 ANYL 221. A wearable colorimetric dosimeter to prevent UV-induced skin damages. J. Wang, A. Jeevarathinam, J.V. Jokerst 8:55 ANYL 222. Natural light-scattering nanoparticles enable visible through short-wave infrared color modulation. A. Kumar, R.M. Osgood, L. Deravi 9:15 ANYL 223. UV/sun exposure monitoring using a wearable sensor made of nanocellulose. E. MoralesNarváez 9:45 ANYL 224. Sensing electronics on ultra-thin nanocellulose sheets. J.D. Yuen, S. Walper, D. Zabetakis, M.A. Daniele, B. Ratna, D.A. Stenger 10:15 Intermission. 10:30 ANYL 225. Protein-based hydrogel as a material for actuating a jointed scaffold. C.M. Gomes, C. Liu, S.M. Felton, L. Deravi 10:50 ANYL 226. A biomimetic coating for intracutaneous sensors and devices. R. Parker, A. Trent, M. VanDyke, T. Zarkovic Grove 11:20 ANYL 227. Rapid prototyping of bioinspired materials for biosensing. Y. Chan, A. Hosseini, M. Skreta, H. McPhee, J. Yang, M. Hasan, L. Soleymani

SECTION D Boston Convention & Exhibition Center Room 105

Nanozymes for Bioanalysis H. Wei, Organizer, Presiding 8:30 Introductory Remarks. 8:35 ANYL 228. Nanozymes: Enzymatic activities, catalytic mechanisms and extensive applications in biomedicine. X. Yan

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TECHNICAL PROGRAM

ANYL 153. Establishing baseline sensitivity data using LCMS/MS to investigate dermal in-vitro absorption toxicological application: Applications in analytical chemistry. A.H. Patel, P. Trivedi, N.A. Khan ANYL 154. Electrochemical sensor for diethylstilbestrol based on magnetic imprinted nanoparticles. T. Kang ANYL 155. Photocatalytic water-splitting BiVO4 incorporated in various biomass-derived scaffolds. A. Basurrah, D. Nde, W. Zhao ANYL 156. Electrochemical paper-based devices for oral preventative care through pH sensing. A. Metangmo, R. Barron, F. Deiss ANYL 157. Selectivity characterization of five achiral stationary phases using supercritical fluid and hydrophilic interaction chromatography. E.G. Franklin, M. Wilcox, G. Lowden, T. Szczerba ANYL 158. Evaluating DNA oxidation caused by e-cigarette and cigarette smoke: Using 3-D printed ECL arrays and LCMS. T.K. Nipuni, A. Ghosh, M. Shen, T. Keyes, J. Rusling ANYL 159. Monitoring the response of epithelial cells to drug molecules with potentiometric-scanning ion conductance microscopy. K. Huang, J. Hou, L.A. Baker ANYL 160. Formation of biofilm microenvironment in microfluidic system for investigating antimicrobial materials. J. Son, W. Kim, S. Kim, H. Cho, E. Cho, J. Jeon ANYL 161. Sensor fusion for biological imaging. J. Askim, S. Semancik ANYL 162. Real-time biosensor capable of quantifying triple biomarkers for diagnosing diabetes. E. Park, B. Kim, J. Lee ANYL 163. Manganese oxide nanosheets on quartz crystal microbalance for detection of methylmercaptan gas. Y. Tokura, G. Nakada, Y. Oaki, H. Imai, S. Shiratori ANYL 164. Enhanced detection of methylmercaptan gas using proton containing layered manganese oxide nanosheets coated on quartz crystal microbalance. N. Kawamura, Y. Tokura, G. Nakada, Y. Oaki, H. Imai, S. Shiratori ANYL 165. Conformational behaviour and molecularity of novel anti-IgM G-quadruplex forming aptamers. F. Moccia, D. Musumeci, C. Platella, J. Bradshaw, P. Mallikaratchy, D. Montesarchio ANYL 166. Prediction of polybrominated diphenyl ether retention times via Ab Iniitio calculations. A. Izydorczak, S. Simpson ANYL 167. Development of a robust capillary electrophoresis methodology for direct quantification of free doxorubicin in liposomal doxorubicin formulations in plasma. M. Mohamed Ansar, T. Mudalige ANYL 168. Tunable chemical sensing interfaces using dendronized nanoparticles coupled with nanofibrous paper substrates. S. Yan, B.L. Perris, C.S. Soni, S.E. Ruiz, C.L. Ghazvini, J. Lombardi, J. Luo, B.S. Hsiao, S. Lu, M.D. Poliks, I.G. Ivanov, C. Zhong ANYL 169. A correlated optical and electrochemical approach to probing electrocatalysis at individual nanostructures. P. Saha, J. Walmsley, J. Hill, C.M. Hill ANYL 170. Self-powered, wireless continuous glucose sensing system based direct electron transfer. I. Lee, N. Loew, W. Tsugawa, K. Ikebukuro, K. Sode ANYL 171. New sensing scheme based on magnetic relaxation to detect DNA. R. Nogueira e Silva, P. Zhang ANYL 172. Analysis of lipid binding to gold nanoparticle from lipid vesicles. X. Zhang, C.J. Murphy ANYL 173. SERS detection of polycyclic aromatic hydrocarbon compounds through β-cyclodextrin modified Au nanoparticles. Z. Yu, H. Sorensen, M. Grasso, P. Zhang ANYL 174. Effects of nanoparticle size and shape on cellular uptake: A single particle approach. J. Hill ANYL 175. Analysis of ethyl glucuronide in oral fluid using LC-MS/MS and DART-TOFMS with SPME pre-concentration. K. Romano-Pringle, J.F. Morrison, C.M. Selavka ANYL 176. Direct analysis by HR-CS GF-AAS. An easy way to fast and accurate results. M. Schneider, H. Cadorim, L. Da Rocha, B. Welz ANYL 177. Nanoparticle-enhanced biosensors: amperometric detection of hydrogen peroxide and biomarkers. M. Kozma, J. Li, S. Yan, S. Shan, A. Koh, C. Zhong ANYL 178. Aptamer-based field-effect transistor nanobiosensor arrays for the simultaneous detection of neurotransmitters. L.K. Heidenreich, L. Scarabelli, K. Yang, M. Stojanovic, P.S. Weiss, A.M. Andrews ANYL 179. Noble metal nanoparticles-based protein microarray. Y. Cheung, T. Tam, Y. Cheng, K. Ng ANYL 180. Biphasic-scanning ion conductance microscopy (BP-SICM). L.A. Baker, M. Choi

TECHNICAL PROGRAM

ANYL 9:05 ANYL 229. Bioorthogonal chemistry for imaging and therapeutics using engineered nanoparticle ‘nanozymes’. V.M. Rotello 9:35 ANYL 230. Surface modified nanozymes as biosensors. J. Liu 10:00 ANYL 231. Point of care bioassay system based on enzyme-mimetic nanomaterials. J. Lee 10:25 ANYL 232. Peroxidase-mimicking microgels fabricated by encapsulation of ionic nanoparticles and their applications in biomarker detection. W. Zhong, Y. Liu, Q. Jiang 10:50 ANYL 233. Metal nanomaterials with enzymes like activities for quantitation of small analytes. H. Chang 11:15 ANYL 234. Catalytic nanomaterials for amplified biosensing. C. Loynachan, M. Thomas, E. Gray, D. Richards, V. Chudasama, R. McKendry, M. Stevens 11:35 ANYL 235. Metal-organic frameworks in biomimetic applications. M. Xu, Z. Gu

SECTION E Boston Convention & Exhibition Center Room 106

Chemical Forensics

10:35 ANYL 252. Effect of fluoroethylene carbonate electrolytes on the nanostructure of the solid electrolyte interphase and performance of lithium metal anodes. Z. Brown, S. Jurng, B.L. Lucht 11:05 ANYL 253. Applications of environmental TEM in energy materials. J. Li 11:35 ANYL 254. A new family of sulfonimide salts: Structure-property relationships for battery application. S. Feng, M. Huang, Z. Wenxu, L. Giordano, J.A. Johnson, Y. Shao-Horn

Environmental Behaviors & Health Effects of Pollutants: A Symposium in honor of Professor Guibin Jiang Sponsored by ENVR, Cosponsored by ANYL and GEOC

Structures & Functions of Glycans Sponsored by CARB, Cosponsored by ANYL, BIOL, CELL, MEDI and ORGN

Ion Transport at the Nanoscale: Research & Capabilities at the DOE’s Nano Centers Sponsored by PRES, Cosponsored by ANYL, COLL, COMSCI, ENFL, ENVR, GEOC and SCHB

C. Fraga, Organizer, Presiding 8:00 Introductory Remarks. 8:05 ANYL 236. Analytical chemistry in support of investigations of alleged use. M. Blum 8:25 ANYL 237. Sampling for chemical weapons in hostile environments for forensic analysis. L. Phillips 8:45 ANYL 238. The role of chemical forensics research in the investigative process. R.l. Bull 9:00 ANYL 239. Comparison of targeted and non-targeted approaches in source attribution of sulphur mustard. R. Norlin, K. Höjer Holmgren, D. Wiktelius, A. Larsson, L. Ahlinder, C. Åstot 9:20 ANYL 240. Chemical profiling and source attribution of sulfur mustard. J. Riches, C. Timperley, W. Rebecca, S. Sarah 9:40 ANYL 241. Chemical attribution signature study on synthetic routes of VX. S. Hok, R.N. Leif, K.E. Mason, D. Mew, A. Vu, L. Carman 10:00 Intermission. 10:20 ANYL 242. Signatures of sarin exposure in authentic human samples. D. Noort, M. van der Schans 10:40 ANYL 243. Statistical analysis of the chemical attribution signatures of crude sarin. B.P. Mayer, S. Hok, C.A. Valdez, A.M. Williams 11:00 ANYL 244. Using stable carbon isotope ratios (δ13C) to source the nerve agent precursor methylphosphonic dichloride and its products. J. Moran, C. Fraga, M.K. Nims 11:20 ANYL 245. An overview of evidence evaluation methods in forensic chemistry using likelihood ratios. D. Ramos 11:40 ANYL 246. Adsorption and desorption study of a nerve-agent simulant from office materials for forensic applications. C. Fraga, O.M. Primera-Pedrozo, M. Zumbach, A. Breton- Vega, B.P. Wilkins

Role of P450s in Broad-Spectrum Multiple Herbicide Resistance in Weeds: Symposium Honoring Stephen Powles

SECTION F

Cosponsored by BIOL, COLL, MPPG and PHYS X. Xu, Organizer, Presiding 1:00 ANYL 255. Applications of nanosensors to understanding biochemical signaling within the human body. M. Strano 1:30 ANYL 256. On-a-chip bisosensing with optical nanoresonators. R. Quidant 2:00 ANYL 257. Biosensing devices-from single cell analysis to organ on a chip. C. Li 2:30 ANYL 258. Radioluminescent phosphors as local light sources within tissue: Opportunities and challenges for chemical sensing and control. J.N. Anker, G.B. Schober, M.J. Case, U. Uzair, M. Arifuzzaman, H. Chen, S. BeladiBehbahani, J. Tzeng 3:00 Intermission. 3:10 ANYL 259. Beyond biomarkers: Array-based profiling for diagnostics and geno- /phenotypic screening for precision medicine. V.M. Rotello 3:40 ANYL 260. Intracellular ion monitoring in neurons tracked by modular ratiometric nanosensors. G. Rong, E. Kim, H. Clark 4:00 ANYL 261. Monitoring single cell release of non-redox active gliotransmitters using electrochemical aptamer-based sensors. R.A. Lazenby, R.J. White 4:20 ANYL 262. Ultrabright fluorescent silica nanosensors for dual pH and temperature measurements. S. Peerzade, M. Miljkovic, I. Sokolov 4:40 ANYL 263. Nanopore-based biosensor for lead ion detection using a Cys4 zinc-finger motif. G. M Roozbahani, X. Guan, Y. Zhang

Boston Convention & Exhibition Center Room 107A

Analysis of Materials for Energy Storage Cosponsored by ENFL N. Sa, Organizer, Presiding 8:00 Introductory Remarks. 8:05 ANYL 247. Interfacial characterizations on alumina coated cathode materials for lithium-ion batteries. B. Han, B. Key, S.H. Lapidus, J.C. Garcia, H. Iddir, J.T. Vaughey, F. Dogan 8:30 ANYL 248. Aqueous zinc batteries. C. Wang, F. Wang, O. Borodin, T. Gao, X. Fan, W. Sun, F. Han, A. Faraone, J. Dura 9:00 ANYL 249. Toward stable Li-O2 battery operations using a water-in-salt electrolyte. D. Wang, Q. Dong, Y. Zhao, Y. He 9:30 ANYL 250. Increased cycling performance of Li-ion batteries by phosphoric acid modified LiNi0.5Mn1.5O4 cathodes in the presence of LiBOB. M. Yapa Abeywardana, N. Laszczynski, M. Kuenzel, D. Bresser, S. Passerini, B.L. Lucht 9:55 Intermission. 10:05 ANYL 251. In-situ TEM observation on the correlation of electrochemical properties with structural and chemical evolution of electrode materials in rechargeable batteries. C. Wang

92

Sponsored by AGRO, Cosponsored by AGFD and ANYL

Growing with Project SEED: 50 years and 10,000+ Students Sponsored by PRES, Cosponsored by AGFD, AGRO, ANYL, BIOL, BMGT, CARB, CINF, COLL, ENFL, ENVR, HIST, I&EC, ORGN, PROF and SCHB

SECTION B Boston Convention & Exhibition Center Room 104B

Technical Developments & Applications of Optical Chemical Imaging Cosponsored by BIOL‡, COLL and PHYS‡ N. Fang, Organizer G. Wang, Organizer, Presiding 1:30 ANYL 264. Imaging molecular conductance at optical frequencies in plasmonic molecules. B.M. Reinhard 1:55 ANYL 265. Single-molecule imaging in catalytic polymerization. S. Blum 2:20 ANYL 266. Plasmonic imaging of electrochemical and photochemical activity of single nanoparticles. W. Wang 2:45 Intermission. 3:00 ANYL 267. Nonclassical optics enabled imaging of single reactions. D. Han, K. Fu, G. Crouch, S. Kwon, P.W. Bohn 3:25 ANYL 268. Developing optical imaging techniques to measure the chemical reaction at single nanoparticle level. X. Shan 3:50 ANYL 269. Scanning angle and directional Raman measurements of the chemical composition and thickness of thin films. E.A. Smith, C. Nyamekye, S. Weibel, J.M. Bobbitt 4:15 ANYL 270. Three-dimensional mapping of optical near-field responses by controlling probe-sample distance. H. Wang, X. Xu

SECTION C Boston Convention & Exhibition Center Room 104C

Wearable & Implantable Sensors

MONDAY AFTERNOON

M. A. Daniele, L. Deravi, Organizers, Presiding 1:30 ANYL 271. Ultrathin shell biosensors for 3D live cell studies. W. Xu, Q. Jin, D.H. Gracias 1:50 ANYL 272. Designer hydrogel ionic circuits for biologically-matched electronics. S. Zhao, F. Omenetto, D.L. Kaplan 2:10 ANYL 273. Electroactive protein-based actuators. L. Deravi 2:40 ANYL 274. Biodegradable piezoelectric force sensor. T. Nguyen, E. Curry 3:10 Intermission. 3:25 ANYL 275. Functional multilayer nanomeshes for advanced bio-recording and stimulating microelectrodes. H. Fang 3:55 ANYL 276. Hydrogel-based electronics: Ultracompliant electrodes for neural interfaces and beyond. C.J. Bettinger 4:25 ANYL 277. Additive manufacturing of ingestible gastric resident biomedical electronics. Y. Kong

SECTION A

SECTION D

Pesticide Spray Drift: Application, Evaluation & Mitigation Sponsored by AGRO, Cosponsored by ANYL and ENVR

Fate & Metabolism of Xenobiotics: In Vitro & In Silico Studies Sponsored by AGRO, Cosponsored by AGFD, ANYL and ENVR

Environmental Health & Safety of Emerging Chemicals & Technologies Sponsored by ENVR, Cosponsored by AGRO‡, ANYL and CEI

Advances in Sensors & Biosensors for Environmental Monitoring Sponsored by ENVR, Cosponsored by ANYL and BIOL

Boston Convention & Exhibition Center Room 104A

Boston Convention & Exhibition Center Room 105

Nanotechnology & Single Cell Analysis in Biology & Medicine: Next Frontier

Nanozymes for Bioanalysis H. Wei, Organizer, Presiding 1:30 ANYL 278. Nanoenzymes for analytical applications. I. Willner 2:00 ANYL 279. Peptide-conjugated gold nanoprobe:intrinsic nanozyme-linked immunsorbant assay of integrin expression level on cell membrane. L. Gao, X. Gao 2:30 ANYL 280. Nanoceria antioxidative mimetic enzymes. S. Seal, W. Self, K. Liechty, P. Brenneisen 2:55 ANYL 281. Biomimetic NanoZyme sensors: From environmental to clinical diagnostics. V. Bansal, R. Ramanathan, P. Weerathunge, N. Karim 3:20 ANYL 282. Ceria nanoparticles as nanoenzyme mimetics: Properties, assembly and bioanalytical applications. F. Mustafa, A.S. Finny, A. Othman, E. Andreescu 3:45 ANYL 283. Nucleotide-dependent tunable peroxidaselike activity of gold nanozymes for bioanalysis. M.V. Yigit, M. Hizir 4:10 ANYL 284. Metal nanocrystals as peroxidase mimics for biosensing applications. X. Xia 4:35 ANYL 285. Nanozymes for in vitro detection and live bioassays. H. Wei 4:45 Concluding Remarks.

SECTION E Boston Convention & Exhibition Center Room 106

Chemical Forensics C. Fraga, Organizer, Presiding 1:15 Introductory Remarks.

SECTION F Boston Convention & Exhibition Center Room 107A

Analysis of Materials for Energy Storage Cosponsored by ENFL N. Sa, Organizer, Presiding 1:00 ANYL 296. Novel solid state battery electrolyte conductors, phase evolution and processing. J. Rupp 1:30 ANYL 297. Decipher electronic and structural evolution of lead-free perovskite using transient X-ray absorption spectroscopy. X. Zhang, C. Liu, K. Zheng, D.J. Gosztola, S. Canton 1:55 ANYL 298. Analysis of MXenes in electrochemical energy storage applications. M. Naguib, Y. Gogotsi 2:20 ANYL 299. Surface restructuring-induced catalytic reactivity of transition metal phosphide nanoparticles under electrochemical conditions. H. Wang 2:45 Intermission. 2:55 ANYL 300. Plasmonic nanowire and graphene for solar water splitting. C. Yang 3:20 ANYL 301. Structural dynamics of bismuth cathodes during the electrochemical reduction of CO2 in the presence of RTILs. J. Rosenthal 3:45 ANYL 302. IR and Raman spectroscopy of ionomers and ionomer/metal interfaces: An exchange site local symmetry approach. E.S. Smotkin, N. Loupe, D. Kumari, J.H. Doan, K. Mathiowetz, N. Dimakis 4:10 ANYL 303. Simultaneous probing of the copper/ electrolyte interface by surface-selective infrared spectroscopy and online electrochemical mass spectrometry. M. Waegele, X. Li, V. Ovalle, C. Gunathunge 4:35 ANYL 304. A Raman spectroscopic study of the anatase to rutile phase transition of TiO2 induced by photoexcitation of adsorbed dyes. D. Graf Stillfried, M.C. Foster

Environmental Behaviors & Health Effects of Pollutants: A Symposium in honor of Professor Guibin Jiang Sponsored by ENVR, Cosponsored by ANYL and GEOC

Ion Transport at the Nanoscale: Research & Capabilities at the DOE’s Nano Centers Sponsored by PRES, Cosponsored by ANYL, COLL, COMSCI, ENFL, ENVR, GEOC and SCHB

Structures & Functions of Glycans Sponsored by CARB, Cosponsored by ANYL, BIOL, CELL, MEDI and ORGN

Role of P450s in Broad-Spectrum Multiple Herbicide Resistance in Weeds: Symposium Honoring Stephen Powles Sponsored by AGRO, Cosponsored by AGFD and ANYL

Uses of Mass Spectrometry in Agricultural Research & Development: New Trends & Best Practices Sponsored by AGRO, Cosponsored by AGFD, ANYL and ENVR

Environmental Health & Safety of Emerging Chemicals & Technologies Sponsored by ENVR, Cosponsored by AGRO‡, ANYL and CEI

Undergraduate Research Posters Analytical Chemistry Sponsored by CHED, Cosponsored by ANYL and SOCED

Microplastic Pollution: Sources, Sinks & Solutions Sponsored by ENVR, Cosponsored by ANYL and CEI

MONDAY EVENING SECTION A Boston Convention & Exhibition Center Exhibit Hall B2/C

Sci-Mix L. A. Baker, M. F. Bush, Organizers 8:00 – 10:00 94-96, 101, 103-104, 107, 109, 114, 116-118, 120-124, 126-127, 130-131, 133-134, 138, 142, 144, 146-148, 150-151, 153, 155-156, 158-160, 166-170, 174-175, 178, 180. See previous listings.

TUESDAY MORNING SECTION A Boston Convention & Exhibition Center Room 104A

Recent Advances in Solid Phase Extraction: Symposium in honor of Patrick D. McDonald Financially supported by Waters Corporation T. Walter, Organizer, Presiding 8:00 Introductory Remarks. 8:10 ANYL 305. Harnessing the power of solid phase extraction for peptide bioanalysis. M. Lame 8:30 ANYL 306. Solid phase extraction (SPE) in bioanalytical method development for therapeutic peptides. K. Lee 8:50 ANYL 307. Development, validation and application of a cation-exchange, solid-phase extraction for the determination of nanoparticle-released drug concentrations in plasma. C. Holliman, W. Song, J. Tweed, Z. Gu 9:10 ANYL 308. Recent advances in solid phase extraction for biological samples – Fulfilling the promise of SPE. J. Danaceau 9:30 ANYL 309. New developments in SPME. J.B. Pawliszyn 10:00 Intermission. 10:15 ANYL 310. Effective simplified SPE for modern multiresidue analysis: Recent developments for pass-through, dispersive, and retention/elution SPE. M.S. Young, K. Tran 10:35 ANYL 311. Lipid selective SPE materials simplify sample preparation and improve results. D. Lucas, B.E. Richter, L. Zhao 10:55 ANYL 312. Variability of solute-sorbent binding constants in SPE materials. D.E. Raynie, S. Pandey, S. Subedi, D. Lucas, B.E. Richter 11:25 ANYL 313. Porphyrin-based magnetic nanocomposites for efficient extraction of polycyclic aromatic hydrocarbons from water samples. J. Yu, S. Zhu

SECTION B Boston Convention & Exhibition Center Room 104B

11:05 ANYL 319. “Waltz” of Janus particles in cells: Unravelling cell functions with single-particle rotational tracking. Y. Yu 11:30 ANYL 320. Quantitative super-resolution microscopy reveals the architecture of the mammalian glycocalyx and its changes during cancer progression. L. Moeckl, K. Pedram, A. Roy, A. Gustavsson, C.R. Bertozzi, W.E. Moerner 11:50 ANYL 321. Semiconducting polymer nanoparticles for photoacoustic imaging in the second near-infrared window. J. Wu, J. Mei, J. Cheng

SECTION C Boston Convention & Exhibition Center Room 104C

Wearable & Implantable Sensors M. A. Daniele, L. Deravi, Organizers, Presiding 8:30 Introductory Remarks. 8:35 ANYL 322. Erythrocyte membrane-camouflaged sensor for continuous therapeutic drug monitoring. W. Di, X. Tan, M. Niedre, H. Clark 8:55 ANYL 323. Ultra-sensitive, highly-selective, realtime chemical wearable sensors based on hydrogel interferometer. M. Sun, M. Qin, R. Bai, J. Song, Y. Mao, H.J. Qi, Z. Suo, X. He 9:25 ANYL 324. Soft photonic sensors for quantifying oxygen in engineered human tissues. K. Rivera, N. Wisniewski, S.T. Magness, M.A. Daniele 9:45 ANYL 325. Mixed microdomains in hydrogels – strategies for multiplexed and multimode chemicallyresponsive materials. Y. You, L. Bornhoeft, A. Quinn, V. Baldock, S. Goerge, D. Kotturi, M. McShane 10:15 Intermission. 10:30 ANYL 326. Continuous monitoring of lung metabolites in exhaled breath condensate using reduced graphene oxide sensor. M. Javanmard 11:00 ANYL 327. Wearable and implantable biosensing technologies based on the direct electron transfer principle. K. Sode, N. Loew, I. Lee, Y. Ito, W. Tsugawa 11:30 ANYL 328. Toward and integrated microfluidicmicrosensor patch for analysis of dermal fluids. M. Yokus, V. Pozdin, A.T. Young, J. Dieffenderfer, T. Songkakul, A. Bozkurt, M.A. Daniele

SECTION D Boston Convention & Exhibition Center Room 105

Structure & Function of 2D Materials Cosponsored by COLL and PHYS S. A. Claridge, Organizer S. Claridge, Presiding 9:00 ANYL 329. Hierarchically patterned noncovalent functionalization of 2D materials by controlled Langmuir– Schaefer conversion. T.C. Davis, J. Bang, J.T. Brooks, D.G. McMillan, S.A. Claridge 9:20 ANYL 330. Structural characterization of defects in hexagonal boron nitride using scanning probe spectroscopy. D. Kozawa, A. Rajan, V. Koman, K. Silmore, A. Liu, P. Liu, D. Parviz, M. Strano 9:40 ANYL 331. Chemically building atomically abrupt interfaces in 2D materials transition metal dichalcogenides. J. Johns 10:10 ANYL 332. Lateral heteroepitaxy in 2D metal-organic chalcogenolates. J. Hohman 10:40 ANYL 333. Properties and applications of covalently functionalized group 14 graphane analogues. J.E. Goldberger 11:10 ANYL 334. Highly sensitive and high-speed imaging of grain boundaries in graphene by transient absorption microscopy. C. Yang

Technical Developments & Applications of Optical Chemical Imaging

SECTION E

Cosponsored by BIOL‡, COLL and PHYS‡ N. Fang, Organizer G. Wang, Organizer, Presiding 9:00 ANYL 314. Photostable optical nanoscopy (PHOTON) for cancer research. X. Xu, P. Songkiatisak, P. Cherukuri 9:25 ANYL 315. Stimulus-responsive molecular probes for imaging of disease targets. R.L. McCarley 9:50 ANYL 316. Plasmonic nanoparticles for single-cell imaging and in-situ sensing. J. Zhu 10:10 ANYL 317. Light-driven nano-oscillators for label-free single-molecule detection. Z. Chen 10:25 Intermission. 10:40 ANYL 318. Molecular imaging by using environmental sensitive flavonoid dyes: From protein binding to specific biological tissue recognition. Y. Pang

Nucleic Acid-Based Sensors

Boston Convention & Exhibition Center Room 106 K. Chow, M. You, Organizers, Presiding 8:00 Introductory Remarks. 8:05 ANYL 335. Quantitative imaging of immune cells. Y. Krishnan 8:40 ANYL 336. A DNA nanoscope via auto-cycling proximity recording. P.L. Yin 9:15 ANYL 337. DNA nanostructures and nanosensors. W. Tan 9:50 Intermission. 10:05 ANYL 338. Imaging and controlling cellular biology using genetically encoded RNA devices. S. Jaffrey 10:40 ANYL 339. Catalytic DNA biosensors for detecting metal ions. J. Liu

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TECHNICAL PROGRAM

1:20 ANYL 286. Applications of the US EPA’s CompTox Chemistry Dashboard to support structure identification and chemical forensics using mass spectrometry. A.J. Williams, A. McEachran, J. Sobus, E. Schymanski 1:40 ANYL 287. Latest developments and applications of position-specific isotope analysis by NMR spectrometry. G. Remaud, V. Joubert, S. Akoka, M. Grand, V. Silvestre, B. Charrier 2:05 ANYL 288. Carbon stable isotope ratios from 13C satellite peaks in 1-D 1H NMR spectra. J.R. Cort, S. Colby 2:25 ANYL 289. Validation of forensic fire debris data interpretation. M. Sigman 2:45 ANYL 290. Establishing the relevance of chemical forensics methods. K. Jarman 3:05 Intermission. 3:15 ANYL 291. Chemical profiling of explosives to create new opportunities for forensic investigation and intelligence. M. Koeberg, K. Bezemer, P. Schoenmakers, A.v. Heijden, A.v. Asten 3:40 ANYL 292. Geographic sourcing of heroin using trace elements and strontium isotope ratios. J.R. Almirall, J. DeBord, A. Pourmand, S. Jantzi 4:00 ANYL 293. Authentication of edible food oils using raman spectroscopy. B.K. Lavine, F. Kwofie, I. Uba, M. Bamidele, K.S. Booksh, J. Ottaway 4:20 ANYL 294. Density-based separation of powdered mixtures using magnetic levitation simplifies sample preparation for spectroscopic analysis and enables rapid fingerprinting of adulterants in illicit drugs. C.K. Abrahamsson, G.M. Whitesides 4:40 ANYL 295. In-field electrochemical detection of chlorate for explosives assessment. K. Kukoyi, D. Wilkins, F. Deiss

TECHNICAL PROGRAM

ANYL 11:15 ANYL 340. Folding- and dynamics-based electrochemical metal ion sensors. R.Y. Lai

SECTION F Boston Convention & Exhibition Center Room 107A

Light-Nanomaterial Interactions for Ultrasensitive Electrochemical Sensing & Imaging & Materials Chemistry S. Pan, Organizer C. M. Hill, Presiding 8:00 ANYL 341. Rapid screening of photoanode materials for solar water splitting and the study of Co doping effect on photoelectrochemical performance of BiVO4. P.S. Shinde, X. Peng, J. Wang, Y. Ma, L.E. McNamara, N. Hammer, A. Gupta, S. Pan 8:20 ANYL 342. Graphene quantum dots for electrochemiluminescence and light-emitting electrochemical cells. R. Zhang, J. Adsetts, S. He, L. Yang, M. Ly, Z. Ding 8:50 ANYL 343. Enhanced photocatalytic performance of CuFeO2 thin films grown by chemical vapor deposition. A. Yengantiwar, P.S. Shinde, S. Pan, A. Gupta 9:20 ANYL 344. Sub-particle photoelectrochemistry. P. Chen 9:50 Intermission. 10:05 ANYL 345. Developing nanomaterial-based strategies for creating signal-on and signal-off photoelectrochemical biosensors. L. Soleymani, A. Victorious, S. Saha 10:35 ANYL 346. Surface plasmon-driven water reduction: Nanoparticle size matters. W. Wei 11:05 ANYL 347. Probing electrocatalytic reactions at individual plasmonic nanostructures: A combined direct electrochemical and optical approach. C.M. Hill, P. Saha, J. Walmsley, J. Hill 11:35 ANYL 348. Photoelectrochemical investigations of semiconductor surfaces and catalyst interfaces for solar water splitting. S. Pan

DARPA Make-It Program: Automating Small Molecule Route Design, Optimization & Synthesis Flow Synthesis Sponsored by COMSCI, Cosponsored by ANYL, COMP, MEDI and ORGN

Novel Treatment Approaches for Emerging Contaminants in Groundwater Systems Sponsored by ENVR, Cosponsored by AGRO‡, ANYL and GEOC

Non-Extractable Residue (NER) Bio-Accessibility & Potential Risks Sponsored by AGRO, Cosponsored by ANYL and ENVR

TUESDAY AFTERNOON SECTION A Boston Convention & Exhibition Center Room 104A

Analytical Division Awards L. A. Baker, Organizer K. Phinney, Presiding 1:30 ANYL 349. Will open tubular liquid chromatography ever catch on? P.K. Dasgupta 2:05 ANYL 350. Electrocatalytic cascades for energy conversion and electrosynthesis. S.D. Minteer 2:40 ANYL 351. The foundation of molecular medicine: A chemical biology approach. W. Tan 3:15 Intermission. 3:30 ANYL 352. Learning is not a spectator sport: Active learning in analytical chemistry. J.K. Robinson 4:05 ANYL 353. Advancing analytical chemistry through education, mentoring and inclusion. C.K. Larive 4:40 ANYL 354. Accelerated droplet chemistry: How and why? A. Badu-Tawiah

SECTION B Boston Convention & Exhibition Center Room 104B

Frontiers of Bioanalytical Raman Imaging & Spectroscopy D. Fu, Organizer, Presiding 1:30 Introductory Remarks. 1:35 ANYL 355. Stimulated Raman cytometry: Unveiling dynamic signatures in single cells for precision diagnosis and treatment. J. Cheng

94

2:05 ANYL 356. Super-resolution Raman imaging to understand polymer-mediated gene delivery. D. Punihaole, R.R. Frontiera 2:25 ANYL 357. Sub-diffraction CARS imaging of plant cell wall. A. Singh, D. Freppon, O. Zabotina, J.W. Petrich, E.A. Smith 2:45 ANYL 358. Identifying cancer cells with multifunctional surface-enhanced Raman spectroscopy (SERS) probes. M. Li 3:05 Intermission. 3:35 ANYL 359. Super-multiplex vibrational imaging for biomedicine. W. Min 4:05 ANYL 360. Linear and nonlinear Raman spectroscopy for taking optical biopsies. M. Schmitt, J. Popp 4:35 ANYL 361. Spectral focusing multiphoton hyperspectral imaging with 5 cm-1 spectral resolution. A. Zeytunyan, T. Baldacchini, R. Zadoyan 4:55 ANYL 362. In vitro and in vivo neurochemical detection for early-onset neurological disease diagnosis with Raman spectroscopy. B. Sharma

SECTION C Boston Convention & Exhibition Center Room 104C

Wearable & Implantable Sensors M. A. Daniele, L. Deravi, Organizers, Presiding 1:30 ANYL 363. Engineering textile-compatible sensors and signal lines for wearable robotics. V. Sanchez, C.J. Walsh 1:50 ANYL 364. Vapor phase chemistry for garmentintegrated electronics. T.L. Andrew 2:20 ANYL 365. Rehealable, fully recyclable and malleable electronic skin enabled by dynamic covalent thermoset nanocomposite. J. Xiao, Z. Zou, W. Zhang 2:50 Intermission. 3:05 ANYL 366. Chemiresistive sensors for low power applications. T.M. Swager 3:35 ANYL 367. A wearable sensor for real-time measurement of the chloride ion concentration in sweat: Relevance to health and disease. P. Searson, D. Choi, G. Kitchen 4:05 ANYL 368. Toward high performance gas sensing in wearable formats. R.A. Potyrailo 4:35 ANYL 369. Conductive metal-organic frameworks as sensors and transducers in portable electroanalytical devices. K. Mirica

SECTION D Boston Convention & Exhibition Center Room 105

Structure & Function of 2D Materials Cosponsored by COLL and PHYS S. A. Claridge, Organizer S. Claridge, Presiding 1:30 ANYL 370. π-Electron functional materials in the flatland. D.F. Perepichka 2:00 ANYL 371. Standing, lying, and sitting: Controlling surface wetting and interactions between a 2D material and its environment using bioinspired noncovalent ligand layers. S.A. Claridge 2:30 ANYL 372. On the intrinsic electrochemical properties of graphitic materials. H. Liu 3:00 ANYL 373. Studies of friction, energy dissipation and chemical reactivity of 2D nanomaterials. M.B. Elinski, Z. Liu, M. Negrito, N. Hawthorne, J. Batteas 3:30 ANYL 374. The antimicrobial property of 2D materials. L. Yang 4:00 ANYL 375. Electrocatalysis on electronically transparent yet physically impermeable graphene electrodes. J. Hui, J. Rodriguez Lopez

SECTION E Boston Convention & Exhibition Center Room 106

Nucleic Acid-Based Sensors K. Chow, M. You, Organizers, Presiding 1:30 ANYL 376. High-throughput small-molecule enantiopurity measurement using flow cytometry. Z. Tan, A. Manna, J.M. Heemstra 2:00 ANYL 377. Rapid, sub-millisecond interrogation of conformation switching aptamers. R.J. White, M. Santos Cancel 2:30 ANYL 378. Quantifying intercellular tensile forces by membrane DNA probes. M. You, B. Zhao 3:00 ANYL 379. Ligand-guided selection (LIGS): A SELEX variant to identify specific aptamers against cell-surface markers. H. Zümrüt, S. Batool, K. Argyropoulos, R. Dekhang, P. Mallikaratchy 3:30 Intermission.

3:45 ANYL 380. Real-time, in-vivo feedback control of plasma drug levels guided by electrochemical, aptamerbased measurements. N. Arroyo 4:10 ANYL 381. Visualized aptamer biosensors based on coffee-ring effect. H. Liu 4:35 ANYL 382. Signal amplification based on isothermal autonomous nonlinear hybridization chain reactions. F. Wang, J. Wang 5:00 ANYL 383. Charge splitters and charge transport junctions based on guanine quadruplexes. R. Sha, L. Xiang, C. Liu, A. Balaeff, Y. Zhang, P. Zhang, Y. Li, D.N. Beratan, N. Tao, N.C. Seeman

SECTION F Boston Convention & Exhibition Center Room 107A

Light-Nanomaterial Interactions for Ultrasensitive Electrochemical Sensing & Imaging & Materials Chemistry S. Pan, Organizer C. M. Hill, Presiding 1:30 ANYL 384. Scanning electrochemical microscopy meets Raman - In Situ and simultaneous probing of reactivity and electronic structure on single reacting sites. N. Schorr, Z. Gossage, J. Rodriguez Lopez 2:00 ANYL 385. Quantifying structure-specific plasmon mode quality factors using single-beam interferometric nonlinear optical microscopy. T. Zhao, K.L. Knappenberger 2:20 ANYL 386. Distinguishing structural isomers in singlemolecule junctions. H. Zhang 2:50 ANYL 387. Enhancing the fluorescence stability of CH3NH3PbI3 films under the blue excitation source. J. Yadav, S. Pan 3:10 Intermission. 3:25 ANYL 388. High-resolution imaging of single biological nanopores by scanning electrochemical microscopy. S. Amemiya 3:55 ANYL 389. Single nucleation and crystal growth by insitu electrochemical sensing and optical imaging. G. Wang, Y. Li, M.M. Kvetny 4:25 ANYL 390. Synthesis of fluorescent carbon nanomaterials from benzoxazine for multiple applications. J. Gu, B. Fang, X. Lu, F. Cao, X. Zheng 4:55 ANYL 391. Photoelectrochemical properties of p-Cuprous oxide nanoneedles/n-Titanium dioxide nanorods tandem cell for solar water splitting. S. Pan, N. Kaneza, P.S. Shinde

DARPA Make-It Program: Automating Small Molecule Route Design, Optimization & Synthesis Reaction Planning & Screening Sponsored by COMSCI, Cosponsored by ANYL, COMP, MEDI and ORGN

Novel Treatment Approaches for Emerging Contaminants in Groundwater Systems Sponsored by ENVR, Cosponsored by AGRO‡, ANYL and GEOC

Chiral Agrochemicals: Analytical Advances & Regulatory Trends Sponsored by AGRO, Cosponsored by AGFD and ANYL

WEDNESDAY MORNING SECTION A Boston Convention & Exhibition Center Room 104A

Molecular Interactions of Synthetic Nanoparticles with Membranes Cosponsored by COLL and PHYS Z. Rosenzweig, Organizer, Presiding 8:00 Introductory Remarks. 8:05 ANYL 392. Anionic nanoparticles disrupt gramicidin A activity in model phospholipid bilayers. I. Foreman-Ortiz, E. Laudadio, J. Calderin, Y. Zhao, B. Gonzales, P. Keshri, X. Zhang, B. Cheng, X. Zhang, B. Hoover, V.M. Rotello, C.J. Murphy, R. Murphy, J.A. Pedersen 8:25 ANYL 393. Transient protein interaction with nanoparticle produces persistent conformational changes. K. Kim, X. Zhang, C.J. Murphy, J.A. Pedersen 8:45 ANYL 394. Effects of ionic environment on bacterial lipopolysaccharide monolayer structure. A. Rahnamoun, K. Kim, J.A. Pedersen, R. Hernandez 9:05 ANYL 395. High-precision non-fluorescent single particle tracking of monosaccharide conjugated gold nanoparticles on membranes. K. Chen, Y. Gu, N. Fang

SECTION B Boston Convention & Exhibition Center Room 104B

Frontiers of Bioanalytical Raman Imaging & Spectroscopy D. Fu, Organizer J. Cheng, Presiding 8:30 ANYL 400. Alkyne-tag Raman imaging for finding small molecules. K. Fujita 9:00 ANYL 401. Broadband stimulated Raman scattering spectroscopic imaging. D. Fu 9:30 ANYL 402. Confocal-Raman microscopy of phospholipid bilayers in small-volume, high surface area supports: An informative tool for investigating bilayer-analyte interactions. D. Bryce, J.P. Kitt, J.M. Harris 9:50 ANYL 403. Towards label-free super-resolution Raman imaging. C.T. Graefe, D. Punihaole, R.R. Frontiera 10:10 Intermission. 10:40 ANYL 404. Raman microscopy investigation of cytochrome c-cardiolipin interactions to understand the mechanism of cytochrome c-induced membrane permeabilization proposed to occur during apoptosis. J.P. Kitt, D.A. Bryce, S.D. Minteer, J.M. Harris 11:00 ANYL 405. Organic semiconductor based surfaceenhanced Raman spectroscopy platforms. G. Demirel, H. Usta, A. Facchetti 11:20 ANYL 406. Ultrahigh affinity radiolabeled Raman probes for combined SERS and PET/SPECT imaging of prostate cancer. S. Siddhanta, I. Barman 11:40 ANYL 407. Functionalized magnetic-plasmonic nanoprobes for surface enhanced Raman spectroscopic detection of cancer biomarkers. J. Li, M. Kozma, J. Luo, S. Shan, S. Yan, Y. Liu, M.R. Hepel, C. Zhong 12:00 Concluding Remarks.

SECTION C Boston Convention & Exhibition Center Room 104C

Wearable & Implantable Sensors M. A. Daniele, L. Deravi, Organizers, Presiding 8:30 Introductory Remarks. 8:35 ANYL 408. Nanoporous gold-based biosensor for the determination of hydrogen peroxide. J. Narayanan, G. Slaughter 9:05 ANYL 409. Single-molecule and interaction-based biosensing using nanopores: Oligo and polysaccharide analysis. B.I. Karawdeniya, J.W. Nichols, Y.D. Bandara, J. Hagan, R.B. Chevalier, J.R. Dwyer 9:35 ANYL 410. High throughput virtual screening of fullerene sensors: Designing a molecular clamp. J.M. Cox, S.A. Lopez 10:05 ANYL 411. Augmenting radiography with chemical sensors. J.N. Anker, M. Arifuzzaman, P. Millhouse, U. Wijayaratna, S. Kiridena, Y. Raval, C.J. Behrend, T. Pace, J. DesJardins, J. Tzeng 10:35 Intermission. 10:50 ANYL 412. Quasi-direct electron transfer-type glucose sensor based on engineered glucose oxidase. N. Loew, N. Suzuki, W. Tsugawa, Y. Inose-Takahashi, M. Hatada, K. Mori, K. Sode 11:10 ANYL 413. Calibration-free approaches to interrogate electrochemical aptamer-based sensors enable ultra-highprecision in-vivo drug monitoring. N. Arroyo 11:40 ANYL 414. Progress towards a wearable glucose sensor: Development of a versatile two-component system based on boronic acid appended viologens receptors. A. Resendez, B. Singaram

SECTION D Boston Convention & Exhibition Center Room 105

Solid-Phase Chemoenzymatic Methods for Analysis of Sialylated Glycans & their Intact Glycopeptides Cosponsored by CARB Financially supported by Genovis Inc. S. Yang, Organizer, Presiding J. F. Cipollo, Presiding 8:30 ANYL 415. Characterization of site-specific glycosylation of aggrecan, a 2.5 megadalton hyalectan proteoglycan. J.A. Klein, L. Meng, J. Zaia 9:10 ANYL 416. Identification of sialic acid linkages on intact glycopeptides using intactGIG-HILIC. S. Yang 9:25 ANYL 417. Enzymatic strategies for O-glycan analysis using LC-MS. P. Onigman 9:40 ANYL 418. Deciphering protein o-glycosylation: Solidphase chemoenzymatic cleavage and enrichment. S. Yang, P. Onigman, J. Sjogren, H. Nyhlen, W.W. Wu, R. Shen, J.F. Cipollo 10:10 Intermission. 10:30 ANYL 419. The comprehensive glycomic characterization of the glycocalyx. C.B. Lebrilla 11:10 ANYL 420. Human serum IgG glycosylation as a promising biomarker for cancer diagnosis. S. Ren, Z. Zhang, R. Qin, W. Qin, J. Han, J. Gu 11:30 ANYL 421. Exploring receptor tyrosine kinase N-glycosylation and signaling via nanoLC-MS/MS using higher-energy collisional dissociation and stepped collision energy. K.B. Chandler, D.R. Leon, J. Kuang, M.A. Kukuruzinska, N. Rahimi, C.E. Costello 11:50 ANYL 422. Linkage-specific sialic acid derivatization strategies for mass spectrometric profiling of glycans and glycopeptides in complex samples and tissues. N. de Haan, S. Holst, G. Kammeijer, B. Heijs, D. Falck, K. Reiding, M. Wuhrer

SECTION E Boston Convention & Exhibition Center Room 106

Nucleic Acid-Based Sensors K. Chow, M. You, Organizers, Presiding 8:30 ANYL 423. Genetically encoded RNA sensors for fluorescence imaging of antimicrobials and signaling molecules. M. You, A. Karunanayake, Q. Yu, R. Wu 8:55 ANYL 424. Engineering aptamers to maximize their analytical performance using a thermodynamic approach towards real-time monitoring of drugs in the living body. P. Dauphin Ducharme, K. Plaxco 9:20 ANYL 425. Smart aptamers forming G-quadruplex: Structural and functional change of aptamers forming G-quadruplex in response to surrounding conditions and its regulation with the ligands. K. Tsukakoshi, M. Nishio, I. Sasaki, Y. Ma, K. Nagasawa, Y. Kato, C. Nakamura, K. Sode, K. Ikebukuro 9:45 ANYL 426. Aptamer field-effect transistors for smallmolecule detection. K.M. Cheung, N. Nakatsuka, K. Yang, C. Zhao, P.S. Weiss, M. Stojanovic, A.M. Andrews 10:10 Intermission. 10:25 ANYL 427. Direct observation of ATP release from astroctytes using electrochemical, aptamer-based sensors interfaced with 3-D tissue scaffolds. M. Santos Cancel, R. White 10:45 ANYL 428. Electrochemical DNA sensors based on redox-labeled stem-loop probes in polymeric nanoporous films. Z. Harandizadeh, T. Ito 11:05 ANYL 429. Detection of osmium tetroxide, 2,2’-bipyridine-labelled thrombin and binding with aptamers. S.K. Galagedera, G. Flechsig 11:25 ANYL 430. Modification of cytosine-targeted DNA using novel N-mustard analogs of S-Adenosyl-L-Methionine as DNA methylation probes. N. Sirasunthorn, L. Comstock, A. Gerber 11:45 ANYL 431. Microgel tethering for integrated solidphase nucleic acid amplification and self-reported detection. F. Teng, Y. Ma, M. Libera 12:05 Concluding Remarks.

SECTION F Boston Convention & Exhibition Center Room 107A

Student Organized Symposia: New Paradigms in Nanoscale Electrocatalysis Cosponsored by YCC G. Jagdale, S. Jeong, N. Siepser, Organizers, Presiding 8:30 Introductory Remarks. 8:35 ANYL 432. Catalysts for efficient electrochemical reduction of CO2 to CO or ethylene/ethanol. P.J. Kenis

9:00 ANYL 433. Mapping the catalytic plasticity of bismuth/ Ionic liquid pairings for the electrochemical reduction of CO2. A. Atifi, J. Rosenthal 9:25 ANYL 434. Examining electrocatalytic activity at pseudo-single-crystals with scanning electrochemical microscopy. D. Wipf, T.J. Dowell, Y. Wang 9:50 ANYL 435. Electrocatalysis at nanostructured ensembles of ultramicroelectrode dimensions. C.G. Zoski 10:15 Intermission. 10:25 ANYL 436. Charged nanodroplets impacting nanotemplated surfaces: Nanoelectrospray construction of materials at near-molecular scales using edge-rich noncovalent templates. S.A. Claridge 10:50 ANYL 437. Photoelectrochemical detection of semiconductor nanoparticles: Electrochemical characterization of single nanoparticles and their colloidal behavior. M.A. Alpuche-Aviles, P. Chhetri, K. Barakoti, S. Gutierrez-Portocarrero, R. Kazemi Khouzani, G. Rana, P. Subedi 11:15 ANYL 438. Controlled electrodeposition of tetrathiafulvalene bromide (TTFBr) nanowires for gas sensing. L. Luo, H. Gunasekera, G. Mao, M. Kilani, X. Yu 11:40 ANYL 439. Naked-eye electrochemical sensor. K. Chow, J. Oh, S. Wijesinghe 12:05 Concluding Remarks.

Chemistry in Space & Past, Present & Future Sponsored by YCC, Cosponsored by ANYL

From Lab to Tap: Implications of Scaling Up NanoEnabled Environmental Technologies Sponsored by ENVR, Cosponsored by ANYL

Analytical Topics for Ag Process Chemistry & Formulations Research Sponsored by AGRO, Cosponsored by AGFD and ANYL

Atmospheric Fate & Transport of Volatilized Agricultural Emissions Sponsored by AGRO, Cosponsored by ANYL and ENVR

WEDNESDAY AFTERNOON SECTION A Boston Convention & Exhibition Center Room 104A

Molecular Interactions of Synthetic Nanoparticles with Membranes Cosponsored by COLL and PHYS Z. Rosenzweig, Organizer, Presiding 1:30 ANYL 440. Steady state and time resolved photoluminecsence studies reveal adverse interactions of luminescent semiconductor quantum dots with model membranes and living organisms. D.N. Williams, R.P. Brown, Z. Rosenzweig 2:05 ANYL 441. Making gold nanoparticles look like lipid vesicles and biological impacts thereof. C.J. Murphy 2:40 ANYL 442. Quantitative analysis of nanoparticle surfaces. H. Fairbrother, M.J. Gallagher 3:15 Intermission. 3:35 ANYL 443. -Omic analysis of the impact of lithium nickel manganese cobalt oxide (NMC) nanomaterial on Shewanella oneidensis MR-1. E.E. Carlson 4:10 ANYL 444. Interaction of complex oxides with supported bilayers and organisms: Implications for environmental impact of lithium ion batteries. R.J. Hamers 4:45 ANYL 445. Towards active control of nanoparticlehydrogel composites. C.F. Landes 5:20 Concluding Remarks.

SECTION B Boston Convention & Exhibition Center Room 104B

Student Organized Symposia: Probing Biological Systems with Nonlinear Optics Advances in NLO Imaging Cosponsored by YCC R. Tran, Organizer H. Florian, S. Sarkar, C. Smith, Organizers, Presiding R. Tran, Presiding 1:30 ANYL 446. Analysis of collagen architecture alterations in human ovarian cancer via SHG polarization resolved microscopy. P. Campagnola, K. Campbell, R. Chaudhary, J. Handel 2:00 ANYL 447. Lipid flip-flop measured by sum frequency vibrational spectroscopy. J.C. Conboy 2:30 ANYL 448. Stimulated Raman scattering microscopy: Chemical imaging for biomedicine. W. Min

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9:25 ANYL 396. Fluorescent carbon dot surrogates – Probing health effects of black carbon while relating form and function in creating fluorescent carbon dots. C. Sumner, R.L. McCarley 9:45 Intermission. 10:05 ANYL 397. Label-free dynamic imaging of free standing lipid membranes and their hydration. O. Tarun, S. Roke 10:40 ANYL 398. Investigation of molecular interactions between cationic nanoparticles and Gram-positive bacterial cell walls. V. Feng, R. Tapia Hernandez, E.R. Caudill, K.P. Johnson, C.L. Haynes, J.A. Pedersen 11:15 ANYL 399. Experimental platforms to study molecular interactions of synthetic nanomaterials with biological membranes. J.A. Pedersen

TECHNICAL PROGRAM

ANYL 2:55 ANYL 449. Ultrastructural imaging with second harmonic generation Stokes-Mueller polarimetric microscopy. V. Barzda, A. Golaraei, L. Kontenis, K. Mirsanaye, M. Samim, M. Akens, B.C. Wilson 3:20 ANYL 450. Polarization dependent imaging for discrimination between protein aggregates and crystals. H. Florian, C. Smith, A. Sherman, A. Geiger, G.J. Simpson 3:40 Intermission. 3:50 ANYL 451. Sub-micron resolution chemical imaging by wide-field mid-infrared photothermal microscopy. Y. Bai, D. Zhang, A. Shakouri, J. Cheng 4:20 ANYL 452. Chiral vibrational sum frequency generation spectroscopy for probing water superstructures surrounding proteins. E.C. Yan, E. Perets 4:45 ANYL 453. Lipid membranes probed label-free with nonlinear light scattering and imaging: Direct probes of surface chemistry. S. Roke 5:10 ANYL 454. Kinetic advantage of a competitive assay for label-free detection in small-molecule immunoassays. R. Tran, K. Sly, J.C. Conboy

SECTION C Boston Convention & Exhibition Center Room 104C

Next Generation Instrumentations & Measurement in Space Exploration Cosponsored by YCC S. M. Angel, K. S. Booksh, Organizers, Presiding 1:30 ANYL 455. Remote Raman spectroscopy and LIBS using spatial heterodyne spectrometer with Fresnel collection optics. S.M. Angel 1:55 ANYL 456. Time-resolved remote Raman spectroscopic system for planetary exploration. S. Sharma 2:20 ANYL 457. The potential for flow chemistry in space. A.B. Beeler 2:45 ANYL 458. The International Space Station US National Lab – Exploring science in the final frontier. K. Savin 3:10 Intermission. 3:30 ANYL 459. High impact chemistry: Testing an organic detection instrument for an extraterrestrial kinetic penetrator. A.M. Stockton 3:55 ANYL 460. Multivariate analysis and Raman microspectroscopic imaging: Enhancing the search for life on Mars. J.P. Smith 4:20 ANYL 461. Raman hyper-spectral imaging and multivariate curve resolution applied to speciation in meteorites and meteorite impacts. K.S. Booksh

SECTION D Boston Convention & Exhibition Center Room 105

Joint Symposium of the Separation Science Subdivisions G. A. Fugate, K. Phinney, C. Rimmer, Organizers, Presiding 1:30 Introductory Remarks. 1:35 ANYL 462. Enhanced organics characterization using total organic carbon (TOC) coupled with size exclusion chromatography (SEC). A. Scott 1:55 ANYL 463. The application of rotary bed reactor (RBR) technology in the treatment of nuclear wastes. P. Sylvester 2:15 ANYL 464. Ion-selective polymers: Analysis of critical variables. S. Alexandratos, X. Zhu 2:35 ANYL 465. Performance evaluation of a new portable GC with photoionization detector for on-site real-time monitoring of environmental VOC. P.K. Nam, M. Bose, X. He, H. Shi 2:55 ANYL 466. Ultrafast gas chromatographic separation of fatty acid methyl esters in a biodiesel. B.P. Regmi, R. Chan, A. Atta, M. Agah 3:15 Intermission. 3:30 ANYL 467. GC/FUV for analysis of ambient (ppb level) greenhouse gases. J.L. Maclachlan, J.N. Driscoll 3:50 ANYL 468. Improved resolution analysis of cyclic siloxanes in silicone polymers with OH-terminated siloxanes. M.L. Rivard 4:10 ANYL 469. High-throughput density-based measurement and separation using magnetic levitation. S. Ge, Y. Wang, N. Deshler, D. Preston, G.M. Whitesides 4:30 ANYL 470. Asymmetrical flow field flow fractionation for analysis of biological macromolecules. W. Zhong, J. Lee, G. Adkins 4:50 ANYL 471. Automated liquid extraction surface analysis coupled with capillary electrophoresis for rapid and sensitive detection of pesticides on a fruit surface. S. Jeong, D. Chung

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SECTION E Boston Convention & Exhibition Center Room 106

Student Organized Symposia: New Mass Spectrometry Methods for Polymer Analysis Cosponsored by YCC Financially supported by Waters Corporation J. Mao, B. Wei, Organizers K. J. Endres, J. O’Neill, S. R. Snyder, Organizers, Presiding 1:30 Introductory Remarks. 1:40 ANYL 472. Top-down mass spectrometry of crosslinked functional materials. K.J. Endres, R. Dilla, M. Becker, C. Wesdemiotis 2:20 ANYL 473. Materials analysis using secondary ion mass spectrometry: Challenges and opportunities. A.V. Walker 3:00 ANYL 474. Elucidating polymer architecture using mass spectrometry. S.M. Grayson 3:40 Intermission. 4:00 ANYL 475. Redefining ionization in mass spectrometry: Discovery and implementation of novel ionization processes. S. Trimpin 4:40 ANYL 476. MS-assisted design of sequence-controlled polymers to improve their sequenceability. L. Charles, J. Lutz 5:20 Discussion.

SECTION F Boston Convention & Exhibition Center Room 107A

Advances in Electrochemistry L. A. Baker, Organizer A. E. Ross, Presiding 1:30 Introductory Remarks. 1:35 ANYL 477. Silicon nanowires as an acetaminophen electrochemical sensor. R.R. Pandey, H.S. Alshahrani, E.H. Williams, S. Krylyuk, A.V. Davydov, C.C. Chusuei 2:00 ANYL 478. Simultaneous topography and qualitative surface charge mapping with scanning ion conductance microscopy. C. Zhu, L.A. Baker 2:25 ANYL 479. Electrochemistry at the three-phase interface. H. Ren, M. Edwards, H.S. White 2:50 ANYL 480. Electrosynthesis and characterization of an electrochromic pigment. T. Williams, C. Martin, A. Kumar, L. Deravi 3:15 ANYL 481. Electroanalytical performance of nitrogenincorporated tetrahedral amorphous carbon thin-films in room temperature ionic liquids. R. Jarosova, G. Swain 3:40 ANYL 482. Detection of melatonin dynamics in the immune system using fast-scan cyclic voltammetry. A. Hensley, A. Colley, A.E. Ross

From Lab to Tap: Implications of Scaling Up NanoEnabled Environmental Technologies Sponsored by ENVR, Cosponsored by ANYL

Peter Derrick Memorial Symposium: Nanomaterials & Safe Evaluation Spectroscopy Analysis Sponsored by ENFL, Cosponsored by ANYL and COLL

New Analytical Technologies for Pesticide Analysis Sponsored by AGRO, Cosponsored by AGFD, ANYL and ENVR

Wastewater-Based Epidemiology: Opportunities & Challenges Sponsored by ENVR, Cosponsored by ANYL

Atmospheric Fate & Transport of Volatilized Agricultural Emissions Sponsored by AGRO, Cosponsored by ANYL and ENVR

Chiral Agrochemicals: Analytical Advances & Regulatory Trends Sponsored by AGRO, Cosponsored by AGFD and ANYL

Non-Extractable Residue (NER) Bio-Accessibility & Potential Risks Sponsored by AGRO, Cosponsored by ANYL and ENVR

Pesticide Spray Drift: Application, Evaluation & Mitigation Sponsored by AGRO, Cosponsored by ANYL and ENVR

Role of P450s in Broad-Spectrum Multiple Herbicide Resistance in Weeds: Symposium Honoring Stephen Powles Sponsored by AGRO, Cosponsored by AGFD and ANYL

Uses of Mass Spectrometry in Agricultural Research & Development : New Trends & Best Practices Sponsored by AGRO, Cosponsored by AGFD, ANYL and ENVR

THURSDAY MORNING SECTION A Boston Convention & Exhibition Center Room 153A

Opportunities in Forensic Proteomics: Applications, Bioinformatics, Admissibility, Quality Standards E. Merkley, Organizer, Presiding 8:00 Introductory Remarks. 8:10 ANYL 483. The need for advances in analytical chemistry to support forensic analysis of biological materials. R.l. Bull 8:25 ANYL 484. Statistical foundations for forensic proteomics. K. Jarman, E. Merkley 8:50 ANYL 485. ISO 17025 validation of method-based mass spectrometry techniques for the identification of Ricin in bioforensic samples. A. Garrett, K. Vereecke, N. Brown, A. Hanlon, A. Cardamone, R. Lehman, E. Merkley, K. Jarman, D. Wunschel, S. Cendrowski, K.L. Wahl, J. Burans 9:15 ANYL 486. Proteomics in the analysis of forensic bone. M. Buckley, N. Procopio, A. Williams, A. Chamberlain 9:40 ANYL 487. Forensic body fluid identification by proteomic mass spectrometry. H. Yang, S. Monier, E. Butler, D. Fenyo, D. Siegel 10:05 Intermission. 10:15 ANYL 488. Informatics approaches to forensic body fluid identification by proteomic mass spectrometry. E. Butler, W. Liu, S. Ma, D. Siegel, D. Fenyo 10:40 ANYL 489. Mass spectrometric forensic analysis of botulinum neurotoxins. S. Kalb, J. Baudys, J.R. Barr 11:05 ANYL 490. NextGen serology: Protein mass spectrometry for the forensic identification human body fluids. P.B. Danielson, H.E. McKiernan, C. Brown, K.M. Legg 11:30 ANYL 491. Human identification using genetically variant peptides in hair. B.R. Hart, D. Anex, K.E. Mason, F. Chu, S. Malfatti, N.J. Mulakken 11:55 Concluding Remarks.

SECTION B Boston Convention & Exhibition Center Room 156C

New Synthetic Tools & Analytical Methods for the Near-IR Cosponsored by ORGN M. Henary, G. Patonay, Organizers, Presiding 9:00 ANYL 492. Pre-assembly of near-infrared fluorescent multivalent molecular probes for biological imaging. B.D. Smith 9:30 ANYL 493. Targeted theranostics featuring near infrared dyes. K. Burgess 9:50 ANYL 494. Fluoromodules consisting of a promiscuous RNA aptamer and red or blue fluorogenic cyanine dyes: Selection, characterization and bioimaging. B.A. Armitage, X. Tan 10:10 ANYL 495. Solvatofluorochromism in highly fluorescent asymmetric thiazolothiazole dyes. M.G. Walter, N. Sayresmith, S. Kristin 10:30 ANYL 496. Near-infrared fluorescent probes with single-photon frequency upconversion fluorescence for detection in live cells. J. Bi, H. Liu 10:50 ANYL 497. Near-infrared fluorescent dyes and probes based on the rhodol scaffold. M. Xian 11:10 ANYL 498. Ratiometric near-infrared fluorescent probes for sensitive detection of pH changes in live cells. S. Xia, J. Wang, H. Liu 11:30 ANYL 499. Design and synthesis of water-soluble NIR contrast agents for In vivo optical imaging. M. Henary, E. Owens, H. Hyun, H. Choi

SECTION C Boston Convention & Exhibition Center Room 157A

Advances in Spectroscopy J. M. Harris, Organizer D. A. Sheen, Presiding 8:25 ANYL 500. Diffusion behavior of charged dye molecules in self-assembled organic nanotubes studied using imaging fluorescence correlation spectroscopy. G. Ghimire, R. Espinoza, H. Xu, S. Nagasaka, N. Kameta, M. Masuda, D.A. Higgins, T. Ito

SECTION D Boston Convention & Exhibition Center Room 157B

Student Organized Symposia: Enabling Spectroscopies for Nanomaterial Applications: Energy Conversion to Therapeutics Cosponsored by YCC S. Crawford, X. Gan, L. Marbella, Organizers, Presiding 8:30 Introductory Remarks. 8:35 ANYL 508. Plasmonic nanoparticles: From fundamental optical properties to applications. S. Link 9:10 ANYL 509. Luminescent gold nanoparticles. J. Zheng 9:45 ANYL 510. Spectroscopic measurements of carrier densities and redox potentials in tunable inorganic frameworks. A.M. Schimpf 10:20 Intermission. 10:35 ANYL 511. Spatially resolved spectroscopies for semiconductor nanomaterials. W.A. Tisdale 11:10 ANYL 512. Monitoring the aggregation of silver nanoparticles using particle-impact voltammetry coupled with UV-vis spectroscopy. L. Ezra, J. Hui, K.R. Riley 11:35 ANYL 513. In situ electrochemical spectroscopies for studying electrocatalysis and batteries: From IR to NMR to scanning probe microscopy. Y. Tong 12:10 Concluding Remarks.

SECTION E Boston Convention & Exhibition Center Room 157C

Advances in Mass Spectrometry M. F. Bush, Organizer, Presiding 8:30 ANYL 514. Development of ultra high-resolution multilevel structures for lossless ion manipulations ion mobility platform. Y.M. Ibrahim, A. Prabhakaran, A. Li, R.V. Norheim, C.E. Schimelfenig, S.V. Garimella, R.D. Smith 8:55 ANYL 515. Advanced robotics coupled with a nonchromatographic mass spectrometry platform to address complex matrixes for in vitro and in vivo biopharmaceutical studies. J. Zhang, C. Cruz, P. Faustino 9:20 ANYL 516. Photochemical vapor generation for the quantitative analysis of transition elements by ICP-MS: A feasibility investigation. R.M. de Oliveira, G. Salvador, B.S. Soares, D.L. Borges 9:45 ANYL 517. Prototype coded aperture miniature mass spectrometer using a cycloidal sector mass analyzer. J.J. Amsden, P.J. Herr, D.M. Landry, W. Kim, P. Vyas, K. Horvath, M.P. Kirley, C. Parker, A.D. Keil, K.H. Gilcrist, S.D. Hall, J.B. Carlson, N. Baldasaro, D. Stokes, S.J. Edwards, R.P. Sperline, M.B. Denton, B.R. Stoner, M.E. Gehm, J.T. Glass 10:10 Intermission. 10:20 ANYL 518. Interpreting the collision cross sections of proteins: Insights from Ion mobility, unfolding, and folding of ions in the gas phase. M.F. Bush 10:45 ANYL 519. Gas-phase photo-crosslinking and tandem mass spectrometry in unraveling the noncovalent bonding within physiologically active molecule complexes. Y. Liu, S.R. Huang, F. Turecek 11:10 ANYL 520. Active dimethyl labeling and mass spectrometry for protein structure analysis. Y. Wu 11:35 ANYL 521. Characterization and quantification of isobaric antisense oligonucleotide impurities by tandem mass spectrometry with ion mobility. B. Guan, X. Wang, J. Stolee

SECTION F Boston Convention & Exhibition Center Room 251

Advances in Electrochemistry L. A. Baker, Organizer A. E. Ross, Presiding 9:00 Introductory Remarks. 9:05 ANYL 522. Use of citric acid to form an artificial SEI on silicon nanoparticles to enhance the performance of lithium-ion battery anodes. K.K. Chandrasiri, S. Jurng, B. Subramanian Parimalam, C. Cuong Nguyen, B. Young, B.L. Lucht, D. Heskett 9:30 ANYL 523. Electrochemical investigations of silver nanoparticle dissolution and aggregation. K.R. Riley, L. Ezra, Z.J. O’Dell, K. Wheeler 9:55 ANYL 524. Chemical sensing using a nanoneedlebased nanopore probe. K. Shoji, R. Kawano, R.J. White 10:20 ANYL 525. Electromembrane extraction as an improved sample preparation platform for endogenous hormones in plant tissues. J. Suh, S. Han, Y. Wang 10:45 ANYL 526. Use of methanol extracts of Kalanchoe cretana and Landolphia dulcis for corrosion inhibition of mild steel in 5.0M H2SO4 . T.A. Abii 11:10 ANYL 527. Electrochemical biosensor for the detection of sub-nanomolar levels of environmental pollutants. A.L. Furst, M.B. Francis 11:35 ANYL 528. Investigation of structural properties of imidazolium-based ionic liquids on redox electrochemistry. H. Hu, K. George, V. Prabhakaran, V. Thalangamaarachchige, S. Jagdeep-Kaur, E.L. Quitevis, J. Laskin

Peter Derrick Memorial Symposium: Nanomaterials & Safe Evaluation Nanomaterials & Safe Evaluation Sponsored by ENFL, Cosponsored by ANYL and COLL

RNAi & Gene Editing: Utilization for Enhanced Crop Production Sponsored by AGRO, Cosponsored by AGFD and ANYL

Wastewater-Based Epidemiology: Opportunities & Challenges Sponsored by ENVR, Cosponsored by ANYL

THURSDAY AFTERNOON SECTION A Boston Convention & Exhibition Center Room 153A

Methodologies for Use in Cleaning Validations H. J. Kaiser, Organizer, Presiding P. Lopolito, Presiding 1:30 Introductory Remarks. 1:40 ANYL 529. Choosing appropriate analytical methodologies for use in cleaning validations. H.J. Kaiser, B. Ritts 2:25 ANYL 530. Rethinking cleaning validation for active pharmaceutical ingredient manufacturing. D. Hadziselimovic 2:55 Intermission. 3:10 ANYL 531. Effective cleaning validation of reusable medical devices. A. Thanavaro 3:40 ANYL 532. Evaluating surface cleanliness using riskbased approach. P. Lopolito 4:25 Concluding Remarks.

SECTION B Boston Convention & Exhibition Center Room 156C

New Synthetic Tools & Analytical Methods for the Near-IR Cosponsored by ORGN M. Henary, G. Patonay, Organizers, Presiding 1:30 ANYL 533. Near-IR fluorescent detection of blood analytes using erythrocyte-encapsulated sensors. H. Sepasizangabadi, G. Gilyot, N.P. Cooley, T.E. Glass 2:00 ANYL 534. Nuclear-NIR multifunctional contrast agents for pancreatic cancer imaging. H. Choi, K. Bao 2:20 ANYL 535. Far-red and near-infrared seminaphthofluorophores for targeted imaging of pancreatic cancer. R.M. Strongin 2:40 ANYL 536. Near-infrared fluorescent probes for detection of pH in live cells. M. Fang 3:00 ANYL 537. Near infrared fluorescent imaging of brain tumor with IR780 dye incorporated phospholipid nanoparticles. Q. Xie

3:20 ANYL 538. Fiber optical near infrared spectrometry (FONIRS) for non-invasive monitoring of skin accumulation of systemically injected drug carriers. J. Griffin, M. Benchimol, D. Simberg 3:40 ANYL 539. Genetically encoded near-infrared fluorescent probes for in vivo imaging. K.D. Piatkevich 4:00 ANYL 540. Fluorescent copolymerized silica nanoparticles: Synthesis and applications. G. Patonay, G. Chapman, M. Henary, W. Abdelwahab

SECTION C Boston Convention & Exhibition Center Room 157A

Advances in Spectroscopy J. M. Harris, Organizer D. A. Sheen, Presiding 1:30 ANYL 541. Super-resolution force spectroscopy. S. Xu 1:55 ANYL 542. High sensitivity infared nanospectroscopy enabled by nanophotonic AFM transducers. G. Ramer, J. Chae, S. An, V. Aksyuk, A. Centrone 2:20 ANYL 543. Infrared nanopolarimetric analysis of structure and anisotropy of thin films. K. Hinrichs, T. Shaykhutdinov 2:45 ANYL 544. ATR-FTIR study of bacteria and proteins on the bare and coated ZnSe internal reflection element. H. Li, R. Chen, C. Guo 3:10 Intermission. 3:20 ANYL 545. Data harmonization in metabolomics for quality assurance and control. D.A. Sheen, B.A. Benner, Y. Simon, W. Rocha, C.M. Jones, N. Blonder, K.A. Lippa 3:45 ANYL 546. Using principal component analysis to select an appropriate matrix for solid standards in laserinduced breakdown spectroscopy. D. Rusak, C. Hudson, F. Alfifi 4:10 ANYL 547. Significance of preanalytical factors in measuring Cr and Co levels in human whole blood. Y.L. Sommer, C. Ward, J.C. Georgi, P. Cheng, K.L. Caldwell, R.L. Jones 4:35 ANYL 548. IRMPD spectroscopy of carbohydrates: Fundamental questions and application to glycomics. I. Compagnon

SECTION D Boston Convention & Exhibition Center Room 157B

Student Organized Symposia: Enabling Spectroscopies for Nanomaterial Applications: Energy Conversion to Therapeutics Cosponsored by YCC S. Crawford, X. Gan, L. Marbella, Organizers, Presiding 1:30 Introductory Remarks. 1:35 ANYL 549. Ultrafast Raman spectroscopic probes of solar cells and plasmonic photocatalysts. R.R. Frontiera 2:10 ANYL 550. Ultrasensitive “OFF-ON” fluorescence signal strategy for sensing and imaging microRNAs in vitro and in vivo based on oriented gold nanoconjugates. J. Sun, X. Sun 2:35 ANYL 551. Time-resolved laser spectroscopy applied to nanomaterials: From quantum dots to thin films. C. Burda 3:10 Intermission. 3:25 ANYL 552. X-ray emission spectroscopy as an enabling tool for the characterization of emissive quantum dots. B.M. Cossairt, J. Stein, W. Holden, G. Seidler 4:00 ANYL 553. Active monitoring of cellular uptake, controlled nucleic acid release, and coordinated cellular responses using a gold nanoparticle bio-optical transponder (nano-BOT). G.F. Strouse 4:35 Concluding Remarks.

SECTION E Boston Convention & Exhibition Center Room 157C

Advances in Mass Spectrometry M. F. Bush, Organizer, Presiding 1:30 ANYL 554. Using mass spectrometry to exploit a single isoleucine/leucine difference in ERK substrate binding sites for activity-based profiling of MAPK signaling. M. Shin, C.E. Franks, K. Hsu 1:55 ANYL 555. AuNPs for enhanced ionization and fragmentation of biomolecules using LDI-MS. K.A. Stumpo 2:20 ANYL 556. Effective matrix-free sample plate of highly ordered gold nanoparticle thin film in surface-assisted laser desorption/ionization mass spectrometry for quantitative analysis of bone biomarkers in osteoporosis. X. Pan, T. Chang, K. Chen, S. Tan, J. Kuo, T. Kuo

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8:50 ANYL 501. Photoactivatable BODIPY probe for localization-based super-resolution imaging. C.S. Wijesooriya, J. Peterson, P. Shrestha, A. Winter, E.A. Smith 9:15 ANYL 502. Developments of novel fluorescent molecular probes for the selective detection of neurotransmitters. Y. Suzuki 9:40 ANYL 503. Tuing fluorescence on nano-interface through click chemistry for diagnosing Wilson’s disease. W. Chen 10:05 Intermission. 10:15 ANYL 504. Non-negative matrix factorization filter for digital deconvolution. S. Griffin, J.A. Biechele-Speziale, C. Smith, X. You-Dow, G.J. Simpson 10:40 ANYL 505. Detecting DNA methylation using surface enhanced Raman spectroscopy (SERS). S. Hasan, Y. He, J. Wang, M.R. Gartia 11:05 ANYL 506. Biosensing based on porous gold nanostructure substrates with plasmonic tunability. W. Qian 11:30 ANYL 507. Silk fibroin one dimensional photonic crystals sensor fabrication and application in small molecules detections. M. Guo, J. Yin, S. Li

TECHNICAL PROGRAM

ANYL/BIOT/BIOL 2:45 ANYL 557. Swab touch spray ionization mass spectrometry for rapid analysis of trace residues of forensic relevance. P.W. Fedick, R.M. Bain, W.L. Fatigante, C.C. Mulligan, R.G. Cooks 3:10 Intermission. 3:20 ANYL 558. Identifying volatile organic compounds in mouse urine that distinguish between localized and metastatic breast cancer using gas chromatography-mass spectrometry QTOF. M.D. Woollam, M. Teli, P. Angarita, S. Liu, A. Siegel, H. Yokota, M. Agarwal 3:45 ANYL 559. Towards enhanced metabolomic data analysis of mass spectrometry image: Multivariate curve resolution and machine learning. X. Tian, G. Zhang, Y. Shao, Z. Yang 4:10 ANYL 560. Identification of ortho-substituted benzoic acid/ester derivatives via the gas-phase neighboring group participation effect in (+)-ESI high resolution mass spectrometry. H. Sheng, W. Blincoe, A. Rodriguez Granillo, J. Sauri, N.A. Pierson, L.A. Joyce, I.K. Mangion 4:35 ANYL 561. Application of mass spectrometry to analysis of applications of Fokker-Plank equation to the velocity of chemical reactions. M. Fundator

BIOT

DIVISION OF BIOCHEMICAL TECHNOLOGY MONDAY AFTERNOON Undergraduate Research Posters Biotechnology Sponsored by CHED, Cosponsored by BIOT and SOCED

BIOL

Division of Biological Chemistry S. Kelley and P. Bevilacqua, Program Chairs OTHER SYMPOSIA OF INTEREST: CRISPR (see AGFD, Thur) Molecular Interactions of Synthetic Nanoparticles with Membranes (see ANYL, Wed) Nanoelectroanalytical Chemistry for Biological & Material Sciences (see ANYL, Sun) Nanotechnology & Single Cell Analysis in Biology & Medicine: Next Frontier (see ANYL, Sun, Mon) Glycoprotein & Carbohydrate-Based Drugs for Human Health (see CARB, Tue, Wed) Biologically Related Molecules & Processes (see ORGN, Mon, Tue)

SUNDAY MORNING SECTION A Boston Convention & Exhibition Center Room 153B

Repligen Award for the Chemistry of Biological Processes P. C. Bevilacqua, S. O. Kelley, Organizers S. G. Withers, Presiding 9:00 Introductory Remarks. 9:05 BIOL 1. Selective thyroid hormone agonists for central nervous system diseases. T.S. Scanlan 9:45 BIOL 2. Discovery, design and development of human amylase inhibitors: From nM to pM. S.G. Withers 10:25 Intermission. 10:40 BIOL 3. Genome editing as a therapy for duch*enne muscular dystrophy. C. Gersbach, C. Nelson, J. RobinsonHamm, J. Kwon

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11:20 BIOL 4. The chemistry of newborn screening, diagnosis, and prognosis of genetic diseases. M.H. Gelb

SECTION B Boston Convention & Exhibition Center Room 153C

Early Career Investigators in Biological Chemistry P. C. Bevilacqua, Organizer S. O. Kelley, Organizer, Presiding 8:30 Introductory Remarks. 8:35 BIOL 5. Chemical proteomics approaches to interrogate the RNA epitranscriptome. R. Kleiner 8:55 BIOL 6. Bystander-assisted immunotherapy: A molecular approach to drugging drug resistance. R.J. Mancini, A.E. Nielsen, J. Hantho, A.J. Burt 9:15 BIOL 7. IMPACT: A chemical Strategy for imaging phospholipase D and phosphatidic acid signaling. J.M. Baskin 9:35 BIOL 8. Structural basis of fatty acyl recognition and transfer by DHHC palmitoyltransferases. A. Banerjee, M. Rana, P. Kumar, C. Lee, R. Verardi 9:55 BIOL 9. Chemical optogenetic modulation of inflammation and immunity. P. Chang 10:15 Intermission. 10:30 BIOL 10. Small molecule stimulators of the 20S core particle of the proteasome to degrade excess proteins. D.J. Trader, R. Coleman 10:50 BIOL 11. Exciton engineering for deep-brain imaging of modulatory neurotransmitters. A. Beyene, J. Del Bonis O’Donnell, M. Landry 11:10 BIOL 12. Detect protein aggregation in live cells with turn-on fluorescence. X. Zhang 11:30 BIOL 13. Elucidating mechanisms of substrate transport in membrane transporters. D. Shukla 11:50 BIOL 14. Ligand binding pathways and conformational transitions of the HIV protease. Y. Miao, Y.M. Huang, R. Walker, J. McCammon, C. Chang

Moving the Safety Values of the ACS Forward Sponsored by PRES, Cosponsored by AGFD, ANYL, BIOL, BMGT, CA, CARB, CCS, CHAS‡, CINF, COLL, CPT, ENFL, ENVR, I&EC, ORGN, PROF and SCHB

Nanotechnology & Single Cell Analysis in Biology & Medicine: Next Frontier

4:35 BIOL 19. Using clickable substrate mimics to illuminate phospholipase D activity within cells. T.W. Bumpus, J.M. Baskin 4:50 Introduction of Awardee. 4:55 BIOL 20. Exploring enzymatic transition states. V.L. Schramm

SECTION B Boston Convention & Exhibition Center Room 153C

Debunking Myths of the Undruggable & Indistinguishable P. C. Bevilacqua, S. O. Kelley, Organizers A. E. Hargrove, Organizer, Presiding 1:30 BIOL 21. Direct cytosolic delivery of nucleic acids and proteins (including CRISPR/Cas9) through membrane fusion: Who needs endosomes? V.M. Rotello 2:10 BIOL 22. Supramolecular sensing of post-translational modifications. M. Waters 2:50 Intermission. 3:05 BIOL 23. Expanding the chemical space for RNA recognition. B.L. Miller 3:45 BIOL 24. Aminoglycoside receptors reveal patterns in RNA recognition and conformational change. A.E. Hargrove

Moving the Safety Values of the ACS Forward Sponsored by PRES, Cosponsored by AGFD, ANYL, BIOL, BMGT, CA, CARB, CCS, CHAS‡, CINF, COLL, CPT, ENFL, ENVR, I&EC, ORGN, PROF and SCHB

Nanotechnology & Single Cell Analysis in Biology & Medicine: Next Frontier Sponsored by ANYL, Cosponsored by BIOL, COLL, MPPG and PHYS

Structures & Functions of Glycans Sponsored by CARB, Cosponsored by ANYL, BIOL, CELL, MEDI and ORGN

Technical Developments & Applications of Optical Chemical Imaging Sponsored by ANYL, Cosponsored by BIOL‡, COLL and PHYS‡

Advances in Sensors & Biosensors for Environmental Monitoring Sponsored by ENVR, Cosponsored by ANYL and BIOL

Sponsored by ANYL, Cosponsored by BIOL, COLL, MPPG and PHYS

SUNDAY EVENING

Use of Computer Simulation to Teach Chemical Kinetics & Enzyme Kinetics in Undergraduate Research & Education

SECTION A

Sponsored by CHED, Cosponsored by BIOL and COMP

Technical Developments & Applications of Optical Chemical Imaging Sponsored by ANYL, Cosponsored by BIOL‡, COLL and PHYS‡

Advances in Sensors & Biosensors for Environmental Monitoring Sponsored by ENVR, Cosponsored by ANYL and BIOL

SUNDAY AFTERNOON SECTION A Boston Convention & Exhibition Center Room 153B

Chemical Approaches to Interrogate Cell Biology P. C. Bevilacqua, S. O. Kelley, Organizers E. Miller, Organizer, Presiding 1:30 BIOL 15. Beyond proteomics: Simultaneous profiling and decoding precision protein-cysteine signaling axes in living cells, fish, and worms. Y. Aye 2:05 BIOL 16. Chemical tools for interrogating metalloenzymes in cells and in vivo. E.L. Que 2:40 Intermission. 2:55 BIOL 17. Electrophysiology: Unplugged. New chemistries to probe cellular physiology. E. Miller 3:30 BIOL 18. DNA nanodevices map enzymatic activity in vivo. Y. Krishnan

SECTION A Boston Convention & Exhibition Center Room 153B

Gordon Hammes Award Lecture P. C. Bevilacqua, S. O. Kelley, Organizers A. Schepartz, Presiding 4:30 Introductory Remarks.

Boston Convention & Exhibition Center Exhibit Hall B2/C

Current Topics P. C. Bevilacqua, S. O. Kelley, Organizers 6:30 – 8:30 BIOL 25. Potential peptide based on in silico analysis can bind proinflammatory cytokines as a therapeutic strategy for anti-inflammation. H. Huang, H. Hsu, S. Jiang BIOL 26. Identification and reduction of undesirable PAINs and dead end ligands from an agricultural fungicide screening program. S. Meyer BIOL 27. Modulating the binding affinity of Pal to peptidoglycan. X. Liu, S. Lewis, S. Stanton, C. LaClair, S. Phadke, L. Vacca Michel BIOL 28. Rapid protein identification with an open port sampling interface coupled to a compact mass spectrometer. C. Hao, D. Eikel, S. Prosser, J.D. Henion BIOL 29. Using NMR to study the aggregation and diffusion of a phase separating eye lens protein. A. Fadden, J. Faraone, K. Umphred-Wilson, M. O’Neil, J.L. Mills, G. Thurston, L. Vacca Michel BIOL 30. Thioamides and proteolysis: Examining the effects and applications of a single-atom substitution. T. Barrett, X. Chen, C. Liu, J. Wang, E. Petersson BIOL 31. Glutaric acid production from 5-aminovaleric acid using aminovalerate aminotransferase and semialdehyde dehydrogenase in Escherichia coli as whole cell biocatalyst. E. Lee, Y. Hong, S. Hyun, E. Kim, J. Ju, Y. Yang, H. Jeong, K. Park BIOL 32. Peptide assisted supramolecular polymerization of the anionic porphyrin meso-tetra(4-sulfonatophenyl)porphine. E.M. Kohn, D.J. Shirley, H.C. Fry, G.A. Caputo BIOL 33. Novel chemistry for site-specific antibody bioconjugates. T.I. Chio, H. Gu, K. Mukherjee, L. Tumey, S.L. Bane BIOL 34. Load bearing properties of cartilage. F. Horkay, E.K. Dimitriadis, I. Horkayne-Szakaly, P.J. Basser

BIOL 61. Transport of amyloid-β across the blood-brain barrier by P-glycoprotein: A novel therapeutic target in Alzheimer’s disease. H. Holt, E. Moore, M. Riese, M. Faucett, F. Gonzalez, M. Moss BIOL 62. Novel virus inspired approach to discover first in class preclinical assets for a range of therapeutic areas. B. de Chassey, L. Meyniel-Schicklin, M. Denizot, L. Lines, P. Mallinjoud, J. Vonderscher, E. Meldrum BIOL 63. Quantifying tradeoffs in FRET-based biosensor design. S. Ghilardi, A.P. Weaver, A.E. Sgro BIOL 64. Identification of an archaeal maltooligosyltrehalose trehalohydrolase encoded by an interrupted gene. Y. Zhou, G. Xie, L. Chang, Y. Wang, R. Gao BIOL 65. Novel antimicrobials from the sea: The various antimicrobial mechanisms of the Clavanins. S.A. Juliano, J. Portelinha, A.M. Angeles Boza BIOL 66. Cadmium associates to DREAM and alters its interactions with intracellular partners. S. Azam, J. Miksovska BIOL 67. Molecularly imprinted magnetic bacterial cellulose nanofibers for recognition of nucleoside. Y. Saylan, K. Pospiskova, I. Safarik, A. Denizli BIOL 68. Effects of conformational dynamics on enzyme evolution in TIM-barrel-fold proteins. D. Petrovic, S.C. Kamerlin BIOL 69. Magnesium regulates the circadian oscillator in cyanobacteria. Y.M. Jeong, Y. Kim BIOL 70. Optimizing an allosteric protein for lanthanide binding by rationally designed modification of the metal binding site. M.P. Takacs, A. Gigon, O. Makhlynets, I.V. Korendovych BIOL 71. Cloning and expression of recombinant chondroitinase AC II and its comparison to the Arthrobacter auescens enzyme. A. Williams, W. He, M. Koffas, R.J. Linhardt, B. Cress BIOL 72. Use of peptides as cofactors for RNA-cleaving deoxyribozymes. R. Sapia BIOL 73. Expanding the potential prenylome through unanticipated prenylation of non-canonical C-terminal peptide sequences. S. Ashok, W.K. Schmidt, J. Hougland BIOL 74. Development and molecular understanding of plasmonic photothermal therapy (PPTT) in combating cancer. M.R. Ali BIOL 75. Effects of man-made nanoparticles on aerobic denitrification by strain Pseudomonas stutzeri PCN-1. Q. Chen BIOL 76. Enzyme-induced gain of function strategy for selective cancer therapy. Q. Li, Y. Li BIOL 77. Synthesis and characterization of a highly biocompatible and fluorescent carbon material: Graphene oxide quantum dots. J.E. Ortiz-Santiago, R. Carrasquillo-De Jesus, V. Rivera-Rodriguez, L. Cunci BIOL 78. Angiopoietin-1 accelerates restoration of endothelial cells barrier integrity from nanoparticle-induced leakiness. J. Tee, M. Setyawati, F. Peng, D. Leong, H. Ho BIOL 79. Ligase catalyzed oligonucleotide polymerization with adjustable linker length. C. Guo, Y. Mahdavi-Amiri, R. Hili BIOL 80. Structural characterization of protein–small molecule interactions in ternary complexes using photoaffinity labelling and mass spectrometry: Studies with the macrocyclic natural product rapamycin. H.A. Flaxman, C. Chang, C. Woo BIOL 81. Probing interactions of β-galactosidases with galactonoamidines. J.B. Pickens, S. Striegler BIOL 82. Nanoparticle uptake using correlative lightelectron microscopic (CLEM) techniques. B. Caffrey BIOL 83. Fenamate protects against 1-methyl-4phenylpyridinium- induced apoptosis in dopaminergic MN9D cells. V. Le, M. Mapa, K. Wimalasena BIOL 84. Antimicrobial investigation of three essential components of Piper betle leaves against oral bacteria. M. Lopez, M. Hadisurya, R. Cornwall BIOL 85. Designed enzyme promotes selective posttranslational acylation. P. Gosavi, M. Jayachandran, J.J. Rempillo, O. Makhlynets, I.V. Korendovych BIOL 86. Computational studies of the NUDIX hydrolase superfamily. S. Richman, K. O’Donovan, P.A. Craig, J.L. Mills, S.F. O’Handley BIOL 87. NagD from Yersinia pestis. M. Le, L. Dass, I. Moreno, S.F. O’Handley BIOL 88. Photodynamic inactivation of multidrug-resistant Staphylococcus aureus (MRSA) using hybrid photosensitizers based on amphiphilic block copolymer functionalized gold nanoparticles. N. Wijesiri, T. Ozkaya Ahmadov, P. Wang, J. Zhang, H. Tang, X. Yu, N. Ayres, P. Zhang

BIOL 89. Structure and function of Terfestatin biosynthesis proteins TerB and TerC. J. Clinger, S. Elshahawi, Y. Zhang, R. Hall, Y. Liu, M.D. Miller, J.S. Thorson, G.N. Phillips BIOL 90. Probing the protein-protein interactions in nonribosomal peptide synthetases: Understanding the mechanism of epimerization domain activity. W.E. Kim, A. Patel, M.D. Burkart BIOL 91. Biological evaluation of a blood-brain barrier permeable oxime: in vitro and in vivo evaluation of LLNL02. M.A. Malfatti, H.A. Enright, N.A. Be, S. Hok, V. Lao, E.A. Kuhn, B.J. Bennion, T.S. Carpenter, F.C. Lightstone, T.H. Nguyen, C.A. Valdez BIOL 92. Development of a blood-brain barrier permeable oxime: in silico and chemical synthesis of a neutral acetylcholinesterase reactivator. C.A. Valdez, B.J. Bennion, T.S. Carpenter, H.A. Enright, M.A. Malfatti, N.A. Be, V. Lao, S. Hok, E.A. Kuhn, F.C. Lightstone, T.H. Nguyen BIOL 93. Probing a network of interacting amino acid side chains at orotidine 5’-monophosphate decarboxylase. A. Reyes, D. Plache, A.P. Koudelka, T.L. Amyes, J.P. Richard BIOL 94. Determining the role of Pal in Escherichia coli sepsis. L. Gallardo, M. Zavorin, C. McNamara, J. Pierce, M. Bauer, J. Hellman, M. Pichichero, L. Vacca Michel BIOL 95. Peptide vaccine targeting Pyroglutamate-3 Amyloid β induces strong immune response and reduces cognitive decline in Alzheimer’s disease model mice. H. Chen, G. Li, P. Chen, Z. Hu, Y. Chen, Y. Zhao, Y. Li BIOL 96. Thermoswitchability of β-Glucuronidase variants revealed through single-molecule studies. Y. Jiang, A. Pothukuchy, A. Simon, B. Morrow, A.D. Ellington, D.R. Walt BIOL 97. Red light-triggered sensing of RNAs in living cells. T. Bachmann, O. Zozulia, A. Mokhir BIOL 98. Thermodynamics of chiral α,α-dialkylated amino acid incorporation in a β-hairpin peptide. S. Schettler, W.S. Horne, G. Lengyel BIOL 99. Metabolomic lipid profiling of dinoflagellates under saturation and starvation conditions: Identification of biomarkers of coastal ecosystem health. K. Roohani, B.A. Haubrich, K. Yue, N. D’souza, S. Menden-Deuer, T. Rynearson, C. Reid BIOL 100. Combination cancer treatment through photothermally controlled release of selenous acid from gold nanocages. H. Cheng, D. Huo, Y. Xia BIOL 101. Photopharmaceutical therapy utilizing vitamin B12 as a molecular scaffold. D.C. Zites, C.G. Sheveland, T.A. Shell BIOL 102. Structure of influenza hemagglutinin antibody from Rhesus Macaque with disulfide bond in its CDRH3. H.A. Chaires, G. Bajic, M.A. Moody, S.C. Harrison BIOL 103. Development of photo-cross-linking oligodeoxyribonucleotides with 2’-O-diazirine-conjugated nucleosides. S. Tatsumi, H. Hirose, A. Kobori BIOL 104. Selenium-atom-modified DNAs with high stability and antisense activity for gene silencing and drug discovery. Z. Fang, W. Zhang, Q. Lin, Z. Huang BIOL 105. Combining polymyxin B with ionic liquids in aqueous solution for disrupting lipid vesicles and enhancing antibiotic activities. K. Cook, G.A. Caputo, T.D. Vaden BIOL 106. Innovation of new luciferin analog for in vivo optical imaging. R. Saito, N. Kitada, M. Kiyama, S. Higashi, S.W. Lu, R. Obata, T. Hirano, S. Maki BIOL 107. Effects of alkylimidazolium chloride ionic liquids on myoglobin denaturation by zwitterionic, cationic, and anionic detergents. J.Y. Lee, E.M. Kohn, K.M. Selfridge, T.D. Vaden, G.A. Caputo BIOL 108. Characterization of the human α2,6 sialyltransferase ST6GalNAc1. M.S. Hanes, C.E. Cutler, S. Dutta, N. Jia, R. Cummings BIOL 109. Redox at the cell surface and beyond: Probing the dynamic redox environment surrounding a cell. C. Foster, T. Yu, R. Dutt, L. Jiang, D. Galileo, C. Thorpe BIOL 110. Novel near infrared absorbing and fluorescent dyes for bioimaging. L. Takiff, R. Pawle, K.M. Bardon, R. Minns, S. Selfridge BIOL 111. Characterization of the colibactin-activating peptidase ClbP and design of a fluorogenic activity probe. M. Volpe, M. Wilson, C.A. Brotherton, E. Balskus

Diet, Health & Gut Microbiome Sponsored by AGFD, Cosponsored by AGRO, BIOL, CARB and CELL

MONDAY MORNING SECTION A Boston Convention & Exhibition Center Room 153B

99

TECHNICAL PROGRAM

BIOL 35. Site-specific installation of succinyl lysine analog into histones reveals the effect of H2BK34 succinylation on nucleosome dynamics. Y. Jing, Z. Liu, G. Tian, X. Bao, T. Ishibashi, X.D. Li BIOL 36. Structural interrogation of microbial dynemicin biosynthetic enzymes. S. Alvarado, S.G. Van Lanen, J.S. Thorson, G.N. Phillips BIOL 37. Effects of Asn47 and Asn54 to Ser mutation on Amicyanin. S. Jeoung, M. Choi, S. Shin BIOL 38. Pharmacoproteomic analysis highlights the dabigatran induced downregulation of integrin triggered signaling and inhibition of aggregation in thrombin activated human platelets. J. Gonzalez, A. Babinska, E.L. Ewul, M. Dzieciatkowska, E. Timpo, M. Salifu, C.C. Clement BIOL 39. Bioconjugation of functional molecule to transthyretin amyloids by transpeptidase Sortase A. M. Sakono, T. Ohshima, A. Miyakoshi BIOL 40. Advanced optichemical biological probes for photoinducible protein swapping. D. Wu, C. Aonbangkhen, D.M. Chenoweth BIOL 41. Effect of nanoparticle polyethylene glycol surface density on ecumicin: Toward redesigning the PEG surface of nanocarriers for drug delivry. S. Hwang BIOL 42. Rapid micro-molding process for fabricating polymeric 3D structures with biomaterials using hydrophobic elastomeric molds. S. Hwang BIOL 43. Covalent trapping of human ADAR catalytic domain using thiol modified dsRNA. S. Park, C. Palumbo, P.A. Beal BIOL 44. Quality control of phytopharmaceuticals in Costa Rica with the use of 1H-NMR and PCA. L. Padilla-Cortes, J. Quesada, R. Murillo BIOL 45. Selective peptide binders for PDL1 as an immunogenic target in cancer. G. Kamalinia, T.T. Takahashi, R.W. Roberts BIOL 46. Chemotherapeutics modulate cancer stemness in breast tumor spheroids. D.S. Reynolds, Z.F. Mattes, K.M. Tevis, W.A. Blessing, Y.L. Colson, M.H. Zaman, M.W. Grinstaff BIOL 47. Characterization and enzyme mechanism of human pyrroline-5-carboxylate reductase 2 (HsPYCR2) wildtype and disease variants. S.M. Patel, D.F. Becker BIOL 48. Rapid detection of cellular phenotypic changes using nanosensors: Applications in toxicology and cancer stem cell therapeutics. Y. Geng, N. Le, H. Goel, T. Yoshii, A. Mercurio, V.M. Rotello BIOL 49. Organic framework derived porous carbon nanomaterial for cancer imaging and phototherapy. S. Guan BIOL 50. Syntheses and evaluation of photoactivatable myristoyl analogues for identification of new binding partners of UNC119 proteins. N. Kaiser, T. Mejuch, P. Janning, H. Waldmann BIOL 51. Synthetic multivalent MUC1 glycopeptide architecture based on b-cyclodextrin. Y. Yu, P. Chen, Y. Li BIOL 52. Synthesis and characterization of biogenic selenium nanoparticles with antimicrobial properties made by Staphylococcus aureus, methicillin-resistant Staphylococcus aureus (MRSA), Escherichia coli and Pseudomonas aeruginosa. D. Medina Cruz, T. Webster BIOL 53. Natural products from the Populus microbiome protect against Pseudomonas syringae induced leaf blight. P.M. Blair, M. Ridout, G. Newcombe, D. Pelletier, M. Doktycz BIOL 54. Smart Chitosan polymeric derivatives as human genome carriers. H.S. Al-Lami, A.A. Saleh, S.H. Mutasher BIOL 55. Classical and variant approaches to synthesis of N-Mannich bases of phenyl hydroxyl ketones, their characterization, urease inhibition and antioxidant activities. G.K. Oloyede, S.M. Ali, M. Lateef, G. Anyaele, A. Mayowa BIOL 56. Two engineered OBPs with opposite temperaturedependent affinities towards 1-aminoanthracene. F. Gonçalves, T.G. Castro, N.G. Azoia, A. Ribeiro, C. Silva, A. Cavaco-Paulo BIOL 57. Mass spectrometric characterization of a recombinant ‘two-target’ fusion protein. S. Bhoraskar, C. Ramineni, J. Xu BIOL 58. Complex dynamics of hormone perception and receptor activation in plant drought resistance signaling. C. Zhao, D. Shukla BIOL 59. Enzymatic synthesis of sequence-defined synthetic nucleic acid polymers: Application to in vitro selection of diversely functionalized DNA aptamers. Y. Lei, D. Kong, R. Hili BIOL 60. Binding interaction of the bee venom peptide melittin with the small heat shock protein alpha crystallin. L. Ramirez, A. Shekhtman, J. Pande

TECHNICAL PROGRAM

BIOL Eli Lilly Award in Biological Chemistry P. C. Bevilacqua, S. O. Kelley, Organizers M. Shoulders, Presiding 9:00 BIOL 112. Engineering ligand-based receptor agonists or antagonists as next-generation protein therapeutics. J. Cochran 9:40 BIOL 113. New strategies to explore the interplay between proteostasis and evolution. M. Shoulders 10:20 Intermission. 10:35 BIOL 114. Identifying and targeting tumor neoantigens. C. Wu 11:15 BIOL 115. Synthetic polymer xenoproteins. B.L. Pentelute

SECTION B Boston Convention & Exhibition Center Room 153C

Debunking Myths of the Undruggable & Indistinguishable P. C. Bevilacqua, S. O. Kelley, Organizers A. E. Hargrove, Organizer, Presiding 9:00 BIOL 116. Covalent targeting of protein interfaces. M. Arkin 9:40 BIOL 117. Towards testing the miRNA proxy hypothesis: Cracking the glycocode with miRs. L.K. Mahal 10:20 Intermission. 10:35 BIOL 118. Using the power of protein based nanotechnology based immunotherapy to target cancer. C.R. Wagner 11:15 BIOL 119. Targeting NF-kappaB signaling with large and small molecules. A.K. Mapp

Structures & Functions of Glycans Sponsored by CARB, Cosponsored by ANYL, BIOL, CELL, MEDI and ORGN

Nanotechnology & Single Cell Analysis in Biology & Medicine: Next Frontier Sponsored by ANYL, Cosponsored by BIOL, COLL, MPPG and PHYS

Growing with Project SEED: 50 years and 10,000+ Students Sponsored by PRES, Cosponsored by AGFD, AGRO, ANYL, BIOL, BMGT, CARB, CINF, COLL, ENFL, ENVR, HIST, I&EC, ORGN, PROF and SCHB

Technical Developments & Applications of Optical Chemical Imaging Sponsored by ANYL, Cosponsored by BIOL‡, COLL and PHYS‡

Advances in Sensors & Biosensors for Environmental Monitoring

3:45 BIOL 128. Protein folding in single-cells of living zebrafish. C. Davis, R. Feng, M. Gruebele 4:00 BIOL 129. Assaying RNA localization In Situ with spatially restricted oxidation via red light. Y. Li, R.C. Spitale, M.B. Aggarwal, K. Ke, V. Guan 4:15 BIOL 130. Glycan-modified bacteriophage evokes Th1-type (cancer-relevant) immune responses. M. Alam, C.M. Jarvis, R. Hincapie, C. Sanhueza-Chavez, C. McKay, J. Schimer, K. Xu, J. Hank, J. Olsen, P. Sondel, M. Cook, M. Finn, L.L. Kiessling 4:30 BIOL 131. Human gut microbes metabolize the Parkinson’s disease drug Levodopa. V. Maini Rekdla, E. Balskus 4:45 BIOL 132. Chemical and structural insights into developing synthetic ligands for a PreQ1 riboswitch. C.M. Connelly, T. Numata, R.E. Boer, M.H. Moon, R.S. Sinniah, A.R. Ferré-D’Amaré, J.S. Schneekloth 5:00 BIOL 133. Bioinformatics and chemistry join forces for antibiotics discovery. J. Chu, X. Vila-Farres, C. Lemetre, M. Ternei, S.F. Brady 5:15 BIOL 134. Host chaperones facilitate influenza nucleoprotein immune escape. A. Ponomarenko, A. Phillips, K. Chen, J. Miao, S. McHugh, V. Butty, S. Levine, Y. Lin, M. Shoulders

100

Chemical Immunomodulation P. C. Bevilacqua, S. O. Kelley, Organizers C. M. Woo, Organizer, Presiding 8:45 BIOL 144. Chemical biology of anti-cancer innate immunity. L. Li 9:20 BIOL 145. Binding site hotspot mapping to elucidate new immunomodulatory targets of old drugs. C. Woo 9:55 BIOL 146. Small molecules and macrocycles antagonizing human PD1-PDL1. A. Doemling, T. Holak, S. Shaabani, T. Zarganis, K. Magiera-Mularz, K. Zak, G. Dubin 10:30 Intermission. 10:45 BIOL 147. Towards therapeutic targeting of the MUSASHI RNA binding protein network. M. Kharas 11:20 BIOL 148. Targeted protein degradation induced by thalidomide analogs. B. Ebert

P. C. Bevilacqua, S. O. Kelley, Organizers A. Choudhary, Organizer, Presiding 1:30 Introductory Remarks. 1:35 BIOL 135. CRISPR gene editing: How it works; where it’s going. J. Doudna 2:15 BIOL 136. Nucleic acid delivery systems for RNA therapy and gene editing. D.G. Anderson 2:55 BIOL 137. Small-molecule activators, inhibitors, and degraders of CRISPR-Cas9 in cells and organisms. A. Choudhary 3:35 Intermission. 3:50 BIOL 138. Synthetic gene networks: A bottom-up approach to genome engineering. J. Collins 4:30 BIOL 139. Base editing: Chemistry on a target nucleotide in the genome of living cells. D.R. Liu 5:10 Concluding remarks.

Projects of NCI Chemical Biology Consortium: A Unique, Collaborative Approach to Cancer Drug Discovery Sponsored by MEDI, Cosponsored by BIOL‡

Technical Developments & Applications of Optical Chemical Imaging Sponsored by ANYL, Cosponsored by BIOL‡, COLL and PHYS‡

Structures & Functions of Glycans

Environmental Biofilm Engineering: Harnessing the Power of Biofilms for Contaminant Removal & Resource Recovery

Sponsored by CARB, Cosponsored by ANYL, BIOL, CELL, MEDI and ORGN

Nanotechnology & Single Cell Analysis in Biology & Medicine: Next Frontier

MONDAY AFTERNOON

P. C. Bevilacqua, S. O. Kelley, Organizers E. Lei, Presiding 1:30 BIOL 120. A bioorthogonal ligation of cyclopropeniminium cations and phosphines. T. Heiss, R. Row, J.A. Prescher 1:45 BIOL 121. Cysteine reactivity and functionality across the subcellular universe. D. Bak, M. Pizzagalli, E. Weerapana 2:00 BIOL 122. Targeting the powerhouse of the cell with chemical probes. S.O. Kelley, E. Lei 2:15 BIOL 123. Hypoxia activated small molecule induced gene expression. S.L. Collins, E.M. Hammond, S.J. Conway 2:30 BIOL 124. Utilizing small molecule tools to identify and target structural motifs in an oncogenic long non-coding RNA. A. Donlic, J. Xu, A. Liu, C. Roble, E. McFadden, M. Puri, A.E. Hargrove 2:45 BIOL 125. Highly tunable quinoline-based fluorescent small molecule scaffold for live cell imaging. J.V. Jun, E. Petersson, D.M. Chenoweth 3:00 BIOL 126. Light-activated chemical probing of nucleobase solvent accessibility inside cells. C. Feng, D. Chan, J. Joseph, M. Muuronen, W.H. Coldren, F.U. Furche, C.M. Hadad, R.C. Spitale 3:15 BIOL 127. Tracking of engineered bacteria In Vivo using non-standard amino acid incorporation. P. Praveschotinunt, N. Dorval Courchesne, I. den Hartog, C. Lu, J.J. Kim, N.S. Joshi 3:30 Intermission.

Boston Convention & Exhibition Center Room 153C

Precision Genome Engineering

Technical Developments & Applications of Optical Chemical Imaging

Graduate Student & Postdoctoral Fellow Symposium

SECTION B

Boston Convention & Exhibition Center Room 153B

Sponsored by ANYL, Cosponsored by BIOL, COLL, MPPG and PHYS

Boston Convention & Exhibition Center Room 153C

P. C. Bevilacqua, S. O. Kelley, Organizers J. Stubbe, Presiding 8:45 Introductory Remarks. 8:50 BIOL 140. Functional forays in the human gut microbiome. J. Clardy 9:30 BIOL 141. Essential versus vulnerable: Targeting IMP dehydrogenase for antimicrobial therapy. L. Hedstrom 10:10 Intermission. 10:25 BIOL 142. Half-Sites reactivity of ribonucleotide reductase: biochemical and EM structural evidenceα. J. Stubbe, K. Ravichandran, M. Bennati, M.R. Seyedsayamdost, C.L. Drennan, E. Brignole, G. Kang, A. Taguchi 11:05 BIOL 143. New metalloenzyme-catalyzed transformations in natural product biosynthesis. M.R. Seyedsayamdost

SECTION B

Sponsored by ENVR, Cosponsored by ANYL and BIOL

SECTION A

Pfizer Award in Enzyme Chemistry

Sponsored by ENVR, Cosponsored by BIOL

TUESDAY AFTERNOON SECTION A Boston Convention & Exhibition Center Room 153C

Sponsored by ANYL, Cosponsored by BIOL , COLL and PHYS ‡

‡

Undergraduate Research Posters Biochemistry

Synthetic Chemical Biology

Boston Convention & Exhibition Center Exhibit Hall B2/C

P. C. Bevilacqua, S. O. Kelley, Organizers A. Chatterjee, Organizer, Presiding 1:30 Introductory Remarks. 1:35 BIOL 149. Evolved RNA polymerase biosensors to analyze, control, and reprogram biology. B.C. Dickinson 2:10 BIOL 150. Re-engineering DNA polymerases to recognize xeno-nucleic acids (XNAs). J.C. Chaput 2:45 BIOL 151. A semi-synthetic organism that stores and retrieves increased genetic infomation. F.E. Romesberg 3:20 Intermission. 3:35 BIOL 152. Synthetic biology approaches to biorthogonal chemistry. M. Chang, J. Marchand, M. Neugebauer 4:10 BIOL 153. Synthesis at the interface of virology and genetic code expansion. R. Kelemen, S. Erickson, A. Chatterjee

Sci-Mix

SECTION B

P. C. Bevilacqua, S. O. Kelley, Organizers 8:00 – 10:00 40, 45, 48, 51, 80, 85, 90, 96, 100, 102, 109. See previous listings. 160, 166, 174, 200-201, 214, 227, 234. See subsequent listings.

Boston Convention & Exhibition Center Room 153B

Sponsored by CHED, Cosponsored by BIOL and SOCED

Environmental Biofilm Engineering: Harnessing the Power of Biofilms for Contaminant Removal & Resource Recovery Sponsored by ENVR, Cosponsored by BIOL

Tetrahedron Prize Sponsored by ORGN, Cosponsored by BIOL, CARB and MEDI

MONDAY EVENING SECTION A

TUESDAY MORNING SECTION A Boston Convention & Exhibition Center Room 153B

ACS Infectious Diseases Young Investigators Award Symposium P. C. Bevilacqua, S. O. Kelley, Organizers C. C. Aldrich, Presiding 1:30 BIOL 154. Rationally designed antibiotics eliminate multi-drug resistant bacteria. A. Chatterjee 2:05 BIOL 155. Engineering lactic acid bacteria to control infectious diseases. T. Lu

TUESDAY EVENING SECTION A Boston Convention & Exhibition Center Exhibit Hall B2/C

Current Topics P. C. Bevilacqua, S. O. Kelley, Organizers 6:00 – 8:00 BIOL 158. Tracking dopamine with 19F-MRI/S using pHsensitive false neurotransmitters. M.R. Post, D. Sames, D. Sulzer BIOL 159. Isolation and characterization of aerobic denitrifying bacteria based on activated sludge from refinery wastewater treatment. X. Lang BIOL 160. From synthesis to pathology: Identifying glucosepane’s role in diabetes and aging. M. Streeter, T. Goddard, J. Crawford, D.A. Spiegel BIOL 161. Effects of antifreeze proteins on temperatureinduced enzymatic activity and aggregation. C. Tejeda, R. Vargas, J. Lugo, X. Wen BIOL 162. A visual data mining framework of the genetic code: The DRAm form. J. DeMassa BIOL 163. Microfluidic platforms and tunable surfaces for the creation of biomimetic droplet interface bilayers. J. Korner, K. Elvira BIOL 164. Exponential fluorescent amplification of nucleic acids using clampFISH probes. S.H. Rouhanifard, I. Mellis, M. Dunagin, S. Bayatpour, O. Symmons, A. Cote, A. Raj BIOL 165. Effects of vibrational and structural perturbations on hydride transfer reaction catalyzed by formate dehydrogenase. C. Ranasinghe, P.L. Pagano, A. Kohen, C.M. Cheatum BIOL 166. Decoding the self-resistance mechanism of bacteria linked with colorectal cancer. P. Tripathi, E. Shine, A.R. Healy, C. Kim, S. Herzon, J. Crawford, S. Bruner BIOL 167. The allosteric mechanisms driving the evolution of androgen specificity. C.D. Okafor, J. Colucci, E. Ortlund BIOL 168. In vivo bioluminescent imaging of cancer cells by using a bio-orthogonal ligation reaction. T. Almammadov, S. Ozcubukcu, T. Bagci-Onder, S. Kölemen BIOL 169. Molecular mechanisms of collagen C-propeptide assembly. R. Li, A.S. DiChiara, A.S. Hosseini, D.R. McCaslin, M. Shoulders BIOL 170. A novel biodegradable multifunctional nanoplatform synergistically overcome multidrug resistance. S. Wang, L. Yang, Q. Zhang, K. Lee BIOL 171. Water-soluble coelenterazine analogs improved in vivo bioluminescence imaging. H. Yeh, H. Ai BIOL 172. Imaging the proteome through the genetic incorporation of unnatural amino acids. J. Wang BIOL 173. Functional interplay between an inward-rectifier potassium channel and the lipid bilayer. B. Wylie, B. Collin, M. Canny, D. Versteeg, M. Yekefallah BIOL 174. Structure-function studies of ferrioxamine siderophores reveals charge-based preference for utilization by human pathogenic Staphylococcus aureus. N.P. Endicott, E. Lee, T.A. Wencewicz BIOL 175. Fast relaxation imaging (FReI) of live-cell RNAprotein binding affinity and kinetics. C. Davis, I. Guzman, M. Gruebele BIOL 176. Investigation of the role of linker domain residues in the function of MshA from Corynebacterium glutamicum, a retaining GT-B glycosyltransferase. W. Chen, P.A. Frantom, C. Petersen BIOL 177. Novel approach for exploring substrate binding and transport via TonB dependent transporters in live Escherichia coli cells using electron paramagnetic resonance spectroscopy. T.D. Nilaweera, D.A. Nyenhuis, S.B. Nyenhuis, D.S. Cafiso BIOL 178. Evolving biomolecules through a human cell based continuous directed evolution platform. S.J. Hendel, C. Berman, L. Papa, C.L. Moore, A. Weickhardt, P. Suen, M. Shoulders BIOL 179. Uncovering the quantum mechanical origins of methyltransferase function with large-scale electronic structure. Z. Yang, H.J. Kulik BIOL 180. Binding of human serum albumin to various medications. F. Manyanga, A. Calnan BIOL 181. Photo-triggered fluorescent labelling of recombinant proteins in living cells. Y. Kwon

BIOL 182. Asymmetric cobaltocenium derivatives for mediated electrochemical biocatalysis. J. Najjar, C. McCully, A.K. Udit BIOL 183. Antibody-dependent cellular cytotoxicity. A. Rullo BIOL 184. Discovery of 4CIN: A universal nucleoside analogue with highly efficient fluorescence properties. K. Passow, D.A. Harki BIOL 185. The influence of a major groove amino acid on the mutagenic potential of 8-oxo-2’-deoxyguanosine with A-family polymerases. M. Hamm BIOL 186. Effect of diagenesis on the Ca/P ratio within archaeological bone and teeth samples. J.W. Ejnik, A. Fernandez, P. Killoran BIOL 187. Single quantum dot tracking and superresolution imaging of plasma membrane organization of the dopamine transporter. O. Kovtun, I.D. Tomlinson, S.J. Rosenthal BIOL 188. Triazine-bridged cyclic peptoids as molecular transporters: Applications in drug delivery. H. Kim, H. Lim BIOL 189. Estrane derivatives induce endoplasmic reticulum stress leading to selective cytotoxicity in pancreatic cancer cells and to tumor regression in PANC-1 xenograft model. D. Poirier, J. Roy, R. Maltais, M. Perreault BIOL 190. Interaction of fluorescent teixobactin analogues with bacteria. M. Morris, M. Malek, M. Hashemian, J.S. Nowick BIOL 191. Regulation of RNA using novel transition metal complexes. S.S. Jain, C.M. Anderson, H.T. Hoang, A. Freer, S. Lundgren BIOL 192. Self-assembly of DNA crystals with tunable spacing. Y. Yang, S. Sun BIOL 193. Investigating the stability of boron-nitrogen heterocycles for the design of robust bioconjugation probes. S. Ghosh, H. Gu, S.L. Bane BIOL 194. Structural characterization of two thiazolineforming cyclization domains in yersiniabactin biosynthesis. J. Soule, Y. Xia, B. Henriquez, A. Gnann, V. Dieu, M. MacRae, M. Patterson, D.P. Dowling BIOL 195. Dissection of the Med25-ATF6α protein-protein interaction using a lipopeptide natural product. O. Pattelli, M. Beyersdorf, A. Tripathi, T. Cierpicki, D.H. Sherman, A.K. Mapp BIOL 196. Investigation of on-resin reactions for cyclization efficiency to control monomer/dimer ratios for comprehensive macrocyclic peptide libraries. R. Kandler, S. Das, A. Nag BIOL 197. Design and synthesis of multifunctional photoaffinity probes to map protein-protein interaction surface. J. Lin, X. Bao, X.D. Li BIOL 198. Fluorogenic structure activity library pinpoints molecular variations in the substrate specificity of structurally hom*ologous esterases. R. Johnson, A. White, A. Koelper, A.F. Russell, E. Larsen, G.C. Hoops BIOL 199. In silico and in vitro studies on the activation and signaling mechanisms of CXCL12 binding to its cognate receptor CXCR4. C. Chang, K. Primus Dass, S. Jiang, H. Hsu BIOL 200. Photochemistry-derived small molecules exhibit cell-line-specific toxicity in pancreatic cancer models. S. Raghavan, B. Hua, S. Gill, R. Ng, W.C. Hahn, S.L. Schreiber BIOL 201. Tagged and remotely induced guided immune responses with a photo-caged NOD1 agonist. A.C. Chon, A. Esser-Kahn BIOL 202. Developing peptide-based inhibitors that target histone post-translational modification mediated proteinprotein interactions. Y. Cui BIOL 203. Squaric esters as novel lysine specific electrophiles. J. Ho, L.L. Kiessling BIOL 204. Growth-based phenotypic high throughput screening (HTS) platform to discover drugs that inhibits the proatherogenic trimethylamine (TMA) pathway in the human gut microbiome. W.J. Sandoval Espinola, E. Balskus BIOL 205. Synthesis, characterization and anticancer activity of Au@Cu2MoS4 nanoparticles. N.M. Penman, B. Benin, S. Huang BIOL 206. Therapeutic gene delivery approach to targeting constitutively active pathways in uveal melanoma. O. Dorosheva, J. Zou, R. Liu BIOL 207. Ligand-specific synthetic surfaces for label-free enrichment of cell subpopulations. S. Masuko, D. Mahbuba, A.G. Kruger, L.L. Kiessling BIOL 208. Modular polymeric antigens as antibiotic replacements. C.M. Jarvis, M.K. Arendt, N. Bennett, M. Alam, M. Cook, L.L. Kiessling BIOL 209. Engineering firefly luciferase for improved brightness using modified substrates. M. Ornelas BIOL 210. Identification of volatile organic compounds in breath of liver disease patients by EESI-MS. R. Su

BIOL 211. In silico analysis of protein PgPR-10 with metabolites. Y. Moon, M. Choi, S. Shin BIOL 212. Screening of histamine specific binding peptide for inhibition of allergic reactions. G. Lee, J. Yoon, Y. Kim, J. Min BIOL 213. Polymeric antigens targeting dendritic cells for immunity. H.M. Seifert, C.M. Jarvis, L.L. Kiessling BIOL 214. Fluorogenic chemoselective biocompatible conjugation chemistries of acetylphenyl boronic acid for biological applications. S. Cambray, J. Gao BIOL 215. Nucleophilic probes to enrich the phosphoserine and phosphothreonine proteomes. N. Abularrage, R. Scheck BIOL 216. Metabolic network and mixed-carbohydrate utilization in Pseudomonas protegens Pf-5. R.A. Wilkes, L. Aristilde BIOL 217. Small molecule modulator of 20S/26S proteasome dynamic equilibrium targets intrinsically disordered proteins. E. Njomen, P.A. Osmulski, C.L. Jones, T.A. Lansdell, M.E. Gaczynska, J.P. Tepe BIOL 218. Evaluation of surface-modified macrophages toward imaging and drug-delivery. B. Joshi BIOL 219. Small molecule activators of hedgehog protein autoprocessing that tilt reaction outcome toward parasitic hydrolysis. C.J. Smith, L. Cruceta, A.G. Wagner, D.A. Ciulla, J. Zhao, C. Wang, B.P. Callahan BIOL 220. Don’t sell them short: There’s more to bacterial natural products than antibiotics. A.C. Domzalski, A. Velasquez, R. Tavares de Almeida, A. Kawamura BIOL 221. Multiplexed high-throughput screening approach for identification of selective protein-protein interaction modulators. J. Garlick, S.M. Sturlis, A.K. Mapp BIOL 222. An optimal peptide for annealing to damaged collagen. J.M. Dones-Monroig, R.T. Raines BIOL 223. Mutagenesis of the putative catalytic serine of LipN hydrolase from Mycobacterium ulcerans. E. Pool, G.C. Hoops, R. Johnson BIOL 224. Role of F235A residue in neuronal calcium sensor DREAM. M. Santiago, J. Miksovska BIOL 225. NMR guided approach to evolution of Myoglobin protein. J.H. Yoon, S. Bhattacharya, I.V. Korendovych, O.V. Makhlynets BIOL 226. Antibody conjugated ZAIS [(ZnxAgyInz)S2] Fluorescence Nanoparticles for target-specific cell imaging. H. Seo, S. Seol, J. Park, S. Lee, Y. Kim, J. Jung BIOL 227. Microbial glycan recognition by human intelectin-1. C. McMahon, C. Isabella, P. Kosma, L.L. Kiessling BIOL 228. Peptide purification using HILIC (hydrophilic interaction liquid chromatography). J.E. Silver, R. Sorgo, A. Darter BIOL 229. Carvedilol increases nuclear localization of thioredoxin-interacting protein (TXNIP) in H9c2 cells. M. Alharbi, J. Gunaje, R. Dachineni, T.M. Seefeldt BIOL 230. Study on the shape and stability of liposome under osmotic pressure and its application to detection of autophagosome. M. Kim, W. Kim, S. Lee, J. Jung BIOL 231. Fish DNA barcoding in Connecticut. J. Pang, A. Fawver BIOL 232. Using llama nanobodies to engineer new protein tools for proximity-directed changes in O-GlcNAcylation of a specific protein. D.H. Ramirez, C. Aonbangkhen, J.A. Naftaly, C. Woo BIOL 233. Characterization of a cyanobacterial “Friedel– Crafts alkylase” enzyme. N.R. Braffman, E.E. Schultz, E. Balskus BIOL 234. Human ribonuclease 1: Endogenous glycosylation, cellular internalization, and cytotoxic capability. V. Ressler, H.R. Kilgore, W. Chyan, R.T. Raines BIOL 235. NMR-guided directed evolution of a Kemp eliminase. S. Bhattacharya, O.V. Makhlynets, A. Volkov, I.V. Korendovych BIOL 236. Development of methods for the continuous directed evolution of biomolecules in human cells. C. Berman, L. Papa, S.J. Hendel, C.L. Moore, P. Suen, M. Shoulders BIOL 237. Development of 31P NMR assay for the kinetic evaluation of recombinant choline kinase from Leishmania infantum. J.A. Walker, S.J. Peters, M.A. Jones, J.A. Friesen BIOL 238. The effect of Li+ binding on secondary and tertiary structure, hydrophobicity, thermodynamics, and interactions with interacting partners of DREAM. S. Azam, J. Miksovska BIOL 239. Targeting virulence factors: Discovery of small-molecule inhibitors of Haemophilus influenzae IgA1 protease. L. Shehaj, S.K. Choudary, K.M. Makwana, J. Kritzer

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TECHNICAL PROGRAM

2:40 BIOL 156. Chemical tools for unraveling parasite biology. E. Derbyshire 3:15 BIOL 157. The challenges of antibacterial drug discovery, development, and commercialization: A fine balancing act of contradictions in terms. J. Leeds

TECHNICAL PROGRAM

BIOL/BMGT/CARB BIOL 240. A colorimetric method for the parallel quantification of choline and phosphocholine. T. Zimmerman, S. Ibrahim BIOL 241. Roles of heparan sulfate in mesendoderm differentiation of human embryonic stem cells. Q. Li, S. Masuko, D. Mahbuba, L.L. Kiessling BIOL 242. Is Leishmania major pteridine reductase (PTR1) a functional monomer? J. Gavenonis, M.G. Johnson BIOL 243. Mapping the interactions between substrate pf3 coat protein and YidC during its translocation. H. He, R.E. Dalbey BIOL 244. Critical roles of heparan sulfate in neuronal differentiation of human embryonic stem cells. D. Mahbuba, S. Masuko, Q. Li, Y. Zaltsman, L.L. Kiessling BIOL 245. Investigation of the catalytic mechanism for ghrelin acylation within ghrelin O-acyltransferase (GOAT). T. Davis, M. Aiduk, J. Hougland

WEDNESDAY MORNING SECTION A Boston Convention & Exhibition Center Room 153B

Early Career Investigators in Biological Chemistry P. C. Bevilacqua, S. O. Kelley, Organizers M. E. Farkas, Presiding 8:30 Introductory Remarks. 8:35 BIOL 246. Single-molecule imaging reveals conformational manipulation of Holliday junction DNA by the junction processing protein RuvA. D.R. Gibbs, S. Dhakal 8:50 BIOL 247. New insights Into the ice-binding mechanism of antifreeze glycoproteins. R. Drori, K. Meister, A. DeVries 9:05 BIOL 248. Synthetic biology is an emerging tool for bio/nano-materials. U. Seker 9:20 BIOL 249. Understanding small molecule permeation of bacterial cells: From big data to simple rules? A. Sarkar 9:35 BIOL 250. Chemical proteomic discovery of new agents that induce apoptotic cell death of lung tumor cells. S. Campbell, C.E. Franks, A. Borne, M. Shin, L. Zhang, K. Hsu 9:50 Intermission. 10:00 BIOL 251. Hydralazine induces stress resistance and extends C. elegans lifespan by activating the NRF2/SKN-1 signalling pathway. H. Mirzaei 10:15 BIOL 252. Revealing the amyloid formation mechanism of human beta2-microglobulin induced by transition metal ions. C. Liang 10:30 BIOL 253. Development of modified DNA polymerases for accurate synthesis of nuclease resistant modified DNA. A. Leconte 10:45 BIOL 254. Chemical modulation of circadian rhythms in models of breast cancer. M.E. Farkas 11:00 BIOL 255. Bile acid conjugation as a tool for enhancing intracellular delivery of biofunctional linkerextended constructs. R. Bhadoria, K. Ping, P. Starkov 11:15 BIOL 256. Assessing formation of parallel polyadenosine duplexes composed of two different strands. M. Pickard, L. Cisco, K. Brylow, M. Pershun, E. Wagner, K. Halvorsen, M. Gleghorn

SECTION B Boston Convention & Exhibition Center Room 153C

Mid-Career Investigators in Biological Chemistry P. C. Bevilacqua, S. O. Kelley, Organizers E. E. Carlson, Presiding 9:00 Introductory Remarks. 9:05 BIOL 257. Characterization of non-active site, TrkA selective kinase inhibitors and implications on obtaining kinase selectivity. H. Su, K. Rickert, J. Sanders, D. Henze, A. Cooke 9:30 BIOL 258. Ferritin and neuroferritinopathy: Characterization of iron uptake and release. F. Bou-Abdallah, M. Mehlenbacher, M. Poli, P. Arosio, P. Santambrogio, S. Levi, D. Chasteen 9:55 BIOL 259. Discovery of CAT-02-106: An MDR-1 resistant anti-CD22 antibody-drug conjugate (ADC) ligated site-specifically using SMARTag® technology. J. Liu 10:20 Intermission. 10:35 BIOL 260. Ghrelin acylation by ghrelin O-acyltransferase: Exploring the biochemistry of a unique posttranslational modification. J. Hougland, M. Campana, T. Davis, J. Moose, F.J. Irudayanathan, J.D. Chisholm, S. Nangia 11:00 BIOL 261. Intercepting bacterial signaling for antibiotic discovery. E.E. Carlson

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11:25 BIOL 262. Photochemical events in an electron transfer flavoprotein that supports nitrogen fixation. H. Duan, N. Raseek, M. Tokmina-Lukaszewska, C. Lubner, R. Ledbetter, L.C. Seefeldt, P.W. King, B. Bothner, A. Miller

Physicochemical & Biological Phenomena on Sorbent Surfaces in Environmental Applications Sponsored by ENVR, Cosponsored by BIOL

Diet, Health & Gut Microbiome Sponsored by AGFD, Cosponsored by AGRO, BIOL, CARB and CELL

WEDNESDAY AFTERNOON SECTION A Boston Convention & Exhibition Center Room 153B

Frontiers in Organofluorine Research for Biological Chemistry & Drug Discovery P. C. Bevilacqua, S. O. Kelley, Organizers R. A. Altman, W. C. Pomerantz, Organizers, Presiding 1:30 BIOL 263. Engineering new pathways for fluorinated natural products. M. Chang, O. Ad, S. Sirirungruang 2:00 BIOL 264. Design, synthesis and evaluation of fluorovinyl triggers for pyridoxal phosphate dependent enzyme inactivation. D.B. Berkowitz, M.L. Beio, C.D. McCune, J.M. Sturdivant, R.d. Salud-Bea, K.R. Karukurichi 2:30 BIOL 265. Inspiration from fluorination: Chemical biology approaches to probe molecular recognition events in transcription. W.C. Pomerantz 3:00 BIOL 266. Perfluorocarbon-based nanotheranostics. E.M. Sletten 3:20 Intermission. 3:30 BIOL 267. Local fluorine environment: Principle and applications in drug design. A. Vulpetti, C. Dalvit 4:00 BIOL 268. Fluorinated peptidomimetics for improving drug-like characteristics of opioid peptides. R.A. Altman 4:30 BIOL 269. Novel radiofluorination technology to facilitate PET imaging studies and drug discovery. S.H. Liang 4:50 BIOL 270. Fluorination patterns and property modulation for drug discovery. E.M. Carreira 5:30 Concluding Remarks.

SECTION B Boston Convention & Exhibition Center Room 153C

Mid-Career Investigators in Biological Chemistry P. C. Bevilacqua, S. O. Kelley, Organizers K. Dalby, Presiding 1:30 Introductory Remarks. 1:35 BIOL 271. Industrial enzyme solutions. G. Baier, Y. Lan, R. Andre, S. Kuebelbeck, F. Runge 2:00 BIOL 272. Nucleosome disassembly is heterogeneous and its kinetics is regulated by histone H3K56 acetylation. J. Lee, T. Lee 2:25 BIOL 273. Differences in the heme pocket structure of the L. pectinata hemoglobins elucidated from fluoride binding studies: Understanding the roles of HbI, HbII, and HbIII. J. Cerda, K.M. Frankenfield, K. Williams, D.M. Rivera, J. Lopez Garriga 2:50 Intermission. 3:05 BIOL 274. Biosynthesis of antibiotic natural products in Lysobacter. L. Du 3:30 BIOL 275. In vivo chemical probes of sphingosine kinase function. W.L. Santos 3:55 BIOL 276. Elongation factor 2 kinase integrates multiple signals through regulated calmodulin sensitivity. K. Dalby

Physicochemical & Biological Phenomena on Sorbent Surfaces in Environmental Applications Sponsored by ENVR, Cosponsored by BIOL

Diet, Health & Gut Microbiome Sponsored by AGFD, Cosponsored by AGRO, BIOL, CARB and CELL

THURSDAY MORNING SECTION A Boston Convention & Exhibition Center Room 153B

Graduate Student & Postdoctoral Fellow Symposium P. C. Bevilacqua, S. O. Kelley, Organizers A. Justen, Presiding

8:30 BIOL 277. Heparan sulfate in self-renewal of human embryonic stem cells. S. Masuko, Y. Zaltsman, A.C. Elton, Q. Li, P.J. Wrighton, L.L. Kiessling 8:45 BIOL 278. Novel genetically encoded yellow-red FRET biosensors for visualizing cAMP dynamics. S.B. Javdan, M. Wu, B.L. Walton, A.E. Sgro 9:00 BIOL 279. Construction of genetic logic gates using transcriptional interference. A. Escalas Bordoy, N.J. O’Connor, A. Chatterjee 9:15 BIOL 280. Expanding the synthetic utility of the Flavindependent monooxygenase TropB. A. Rodrguiez Benitez, S. Tweedy, S.B. Dockrey, T. Wymore, A.R. Narayan, J.L. Smith 9:30 BIOL 281. DOSEDO: Diversity-oriented synthesis encoded by DNA oligonucleotides. C.J. Gerry, M.J. Wawer, P.A. Clemons, S.L. Schreiber 9:45 BIOL 282. Fluorous photosensitizers enhance photodynamic therapy with perfluorocarbon nanoemulsions. R. Day, D. Estabrook, J. Logan, E. Sletten 10:00 BIOL 283. Probing proteomic zinc binding with Zincon. A.A. Mahim, M. Namdarghanbari, D.H. Petering 10:15 Intermission. 10:30 BIOL 284. Chemical tools to decipher gut microbial communities: Detection and characterisation of putative glycyl radical enzymes (GREs). M.U. Luescher, Y.Y. Huang, E. Balskus 10:45 BIOL 285. Conformational dynamics affecting PCET during radical transfer in ribonucleotide reductase. B.L. Greene, A. Taguchi, J. Stubbe, D. Nocera 11:00 BIOL 286. An integrated computational-experimental approach for designing photoswitchable protein assemblies. E. Dolan, S. Mushnoori, M. Dutt, S. Khare 11:15 BIOL 287. Intra-articular injection of relaxin-2 alleviates shoulder arthrofibrosis. W.A. Blessing, S.M. Okajima, J.C. Villa-Camacho, M. Cubria, M.W. Grinstaff, E.K. Rodriguez, A. Nazarian 11:30 BIOL 288. Truncation of a single mycobacterial polysaccharide alters cell shape and compromises fitness. A. Justen, L.L. Kiessling 11:45 BIOL 289. Trapping a Schiff base intermediate in a key tricyclic ring formation step of Wye base biosynthesis. T.A. Grell, A.P. Young, C.L. Drennan, V. Bandarian 12:00 BIOL 290. Necessity of terpene chain length on base pairing discrimination of nature’s selection S-geranyl2-thiouridine. P. Haruehanroengra, S.V. Ranganathan, J. Sheng

SECTION B Boston Convention & Exhibition Center Room 153C

Graduate Student & Postdoctoral Fellow Symposium P. C. Bevilacqua, S. O. Kelley, Organizers L. Papa, Presiding 8:30 BIOL 291. Substrate requirements within a family of bacterial phosphothreonine lyases. K. Chambers, R. Scheck 8:45 BIOL 292. Disubstituted luciferins as orthogonal bioluminescent probes. S. Williams, C.M. Rathbun, W.B. Porterfield, Z. Yao, J.A. Prescher 9:00 BIOL 293. Probing the structures of Aβ oligomers with antibodies generated against triangular trimers derived from Aβ. A.G. Kreutzer, S. Yoo, M.N. Diab, I.L. Hamza, J.S. Nowick 9:15 BIOL 294. Structure-activity relationships guided studies for OG:A lesion recognition and repair by the base excision glycosylase MutY. C. Majumdar, A. Manlove, P. McKibbin, M. Hamm, S.S. David 9:30 BIOL 295. Role of histidine and metal binding motifs in the antimicrobial peptide Gaduscidin 1. J. Portelinha, K. Heilemann, A.M. Angeles Boza 9:45 BIOL 296. LOOPER fantastic more than four: Aptamers beyond canonical DNA bases. D. Kong, W. Yeung, R. Hili 10:00 BIOL 297. Effects of small molecule circadian rhythm modulators on oncogenic phenotypes. H. Lin, H. Bisbee, C. Labriola, S. Lellupitiyage Don, K. Robertson, M. Harrington, M.E. Farkas 10:15 Intermission. 10:30 BIOL 298. β,γ-CHX (X: CH3, F, Cl, Br) dATP and dCTP diastereomers: Synthesis, discrete NMR signatures and substrate stereochemistry with DNA polymerase η and β. P. Haratipour, C. Minard, M. Nakhjiri, A. Negahbani, B.A. Kashemirov, K.M. Oertell, M.F. Goodman, C.E. McKenna 10:45 BIOL 299. Highly potent antagonists of Pseudomonas aeruginosa quorum sensing receptor LasR from a non-native scaffold. D. Manson, M.C. O’Reilly, H.E. Blackwell 11:00 BIOL 300. Immobilized FhuD2 siderophore-binding protein enables purification of salmycin sideromycins from Streptomyces violaceus DSM 8286. G.M. Rivera, C.R. Beamish, T.A. Wencewicz

CRISPR Sponsored by AGFD, Cosponsored by BIOL

Physicochemical & Biological Phenomena on Sorbent Surfaces in Environmental Applications Sponsored by ENVR, Cosponsored by BIOL

THURSDAY AFTERNOON

BMGT

Division Of Business Development & Management A. DeMasi, Program Chair OTHER SYMPOSIA OF INTEREST: Strengthening Your Patent Rights in Light of Recent Federal Circuit Court Decisions (see CHAL, Sun) SOCIAL EVENTS: Henry F Whaln, Jr. Award to Thomas Lane, 4:00 PM: Mon BUSINESS MEETINGS: Semi-Annual Meeting, 4:00 PM: Mon

SECTION A

SUNDAY MORNING

Boston Convention & Exhibition Center Room 153B

Moving the Safety Values of the ACS Forward

Graduate Student & Postdoctoral Fellow Symposium P. C. Bevilacqua, S. O. Kelley, Organizers X. Li, Presiding 1:30 BIOL 305. Dispatching the ubiquitous radical SAM enzymes byproduct 5-deoxyribose. Q. Li, G. Beaudoin, J. Folz, O. Fiehn, J. Goodsell, A. Angerhofer, S. Bruner, A. Hanson 1:45 BIOL 306. Analysis of potassium (K+) efflux systems (Kef) as an antibiotic target in pathogenic bacteria. C.A. Haslam, A.K. Chan, S.C. Grayer, A. Khan, T. Claridge, A.E. Scott, S.J. Conway 2:00 BIOL 307. Uncovering features that control selective protein glycation. N. Sjoblom, R. Scheck 2:15 BIOL 308. Orthogonal site-directed RNA editing system utilizing structure-guided engineering of a proteinRNA interface. L.R. Monteleone, M. Matthews, C. Palumbo, J. Thomas, Y. Zheng, Y. Chiang, A. Fisher, P.A. Beal 2:30 BIOL 309. DNA conjugated catalyst for targeted ester hydrolysis exhibits enzymatic kinetics. M.L. Flanagan, A. Arguello, D. Colman, J. Krejci, Y. Yao, Y. Zhang, D.J. Gorin 2:45 BIOL 310. Synthesis and biological investigation of the narrow-spectrum antibacterial (–)-promysalin and analogs. C. Keohane, A. Steele, W.M. Wuest 3:00 BIOL 311. Bacterial signals regulate multicellularity and mating in animals’ closest relative. J.P. Gerdt, A. Woznica, N. King, J. Clardy 3:15 BIOL 312. Dynamic characteristics of GMP reductase complexes revealed by high-resolution 31P field-cycling NMR relaxometry. M. Rosenberg, A.G. Redfield, M.F. Roberts, L. Hedstrom 3:30 Intermission. 3:45 BIOL 313. Expression of multimeric enzymes with tunable activity and its application in the study of mistranslation. X. Li, Y. Jiang, S. Chong, D.R. Walt 4:00 BIOL 314. Stimulus-responsive self-assembly of enzymatic fractals by computational design. N. Hernandez, W. Hansen, D. Zhu, M. Shea, M. Khalid, V. Manichev, M. Putnins, M. Chen, A.G. Dodge, L. Yang, M. Banal, T. Gustafsson, L. Feldman, S. Lee, L.P. Wackett, W. Dai, S. Khare 4:15 BIOL 315. Geobacter cytochrome OmcZs binds riboflavin: Implications for extracellular electron transfer. M.A. Thirumurthy 4:30 BIOL 316. Enzyme-polymer conjugates to enhance enzyme shelf life in a liquid detergent formulation. S. Kübelbeck, J. Mikhael, H. Keller, R. Konradi, A. AndrieuBrunsen, G. Baier 4:45 BIOL 317. Understanding the long-term fate of nanoparticles using a novel 3D system in vitro. A. Alahmari, K. Dawson, F. Muraca 5:00 BIOL 318. Identifying and utilising new antileishmanial drug targets. R. Charlton, P.G. Steel, P. Denny, B. Rossi Bergmann

Sponsored by PRES, Cosponsored by AGFD, ANYL, BIOL, BMGT, CA, CARB, CCS, CHAS‡, CINF, COLL, CPT, ENFL, ENVR, I&EC, ORGN, PROF and SCHB

Advances in Quality Assurance & Regulatory Affairs: Impact on the Future of the Food & Drug & Agrochemical Industry Cosponsored by AGRO‡ Financially supported by SQA (the Society of Quality Assurance) J. L. Bryant, Organizer K. Daigle, Organizer, Presiding 1:30 Introductory Remarks. 1:35 BMGT 2. Building of a GLP laboratory through quality training in an academic course. S. Tam, M. Naill 2:00 BMGT 3. Benefits and value in developing a quality management plan. K. Watson 2:25 BMGT 4. Development of standard operating procedures (SOPs) and an effective SOP management system: Practical tools of GLP. L. Sanghani 2:50 Intermission. 3:05 BMGT 5. Practical methods for personnel training and development. K. Daigle 3:30 BMGT 6. Diagnostic of personnel errors in good laboratory practice (GLP) for implementation of effective preventive action. L. Sanghani 3:55 BMGT 7. Role of management in the oversight of laboratories conducting regulated studies. M. Coyle-Rees, C. Lee 4:20 Discussion. 4:50 Concluding Remarks.

SUNDAY AFTERNOON SECTION A Aloft Boston Seaport Summer 1

Chemical Angel Network: Chemists Investing in Chemical Companies Cosponsored by PROF and SCHB‡ Financially supported by CIEC J. L. Bryant, M. Vreeke, Organizers S. S. White, Organizer, Presiding 1:30 Introductory Remarks by S. White. 1:35 BMGT 1. Updates and news from the Chemical Angel Network (CaN) and its fifth year of supporting chemists and chemistry-based company creation. M. Vreeke, S.S. White, J.C. Giordan 2:00 Company Presentations. 3:00 Investment Discussion. 3:30 Open Forum. 4:00 Concluding Remarks.

Moving the Safety Values of the ACS Forward Sponsored by PRES, Cosponsored by AGFD, ANYL, BIOL, BMGT, CA, CARB, CCS, CHAS‡, CINF, COLL, CPT, ENFL, ENVR, I&EC, ORGN, PROF and SCHB

MONDAY MORNING Artificial Intelligence & its Impact on The Chemical Enterprise Sponsored by YCC, Cosponsored by BMGT and PRES‡

Growing with Project SEED: 50 years and 10,000+ Students Sponsored by PRES, Cosponsored by AGFD, AGRO, ANYL, BIOL, BMGT, CARB, CINF, COLL, ENFL, ENVR, HIST, I&EC, ORGN, PROF and SCHB

MONDAY AFTERNOON Francis P. Garvan–John M. Olin Medal Symposium in Honor of Valerie Kuck Sponsored by WCC, Cosponsored by BMGT and PROF

TUESDAY MORNING Financial & Business Formation Strategies for StartUps & Chemical-Related Businesses Sponsored by SCHB, Cosponsored by BMGT‡ and PROF

WEDNESDAY AFTERNOON SECTION A Aloft Boston Seaport Summer 1

CARB

Division of Carbohydrate Chemistry S. Sucheck, Program Chair

SUNDAY MORNING SECTION A Aloft Boston Seaport Summer 2

Excellence in Undergraduate Research in Glycoscience Cosponsored by CELL C. L. Grimes, N. L. Snyder, Organizers, Presiding 8:00 Introductory Remarks. 8:05 CARB 1. Microwave-assisted organic synthesis (MAOS) of diamides for antimicrobial structure-activity study in Gram-positive pathogens. L. Rochefort, B.A. Haubrich, M. Saladino, A. Basu, C. Reid 8:25 CARB 2. Synthesis and characterization of polyprenepolysaccharide conjugates via [4+2] cycloaddition intermediates. B.J. Orzolek, P.M. Iovine 8:45 CARB 3. Total synthesis of muramyl dipeptide dimers. T. Harmon, K. Lazor 9:05 Panel Discussion. 9:25 CARB 4. New tools for studying carbohydrate-protein binding interactions. N. Fendler, N.L. Snyder 9:45 CARB 5. Synthesis and characterization of starchdibromomaleimide conjugates for delivery applications. T. Luu, J. Tran, N. Lorentz, P.M. Iovine, J.G. Schellinger 10:05 CARB 6. Development of novel binding reagent for the detection of N-linked glycan disease biomarkers by computational and experimental methods. N. Murphy, R.J. Woods 10:25 CARB 7. Evaluation of sugar coordination to binuclear copper(II) complexes. M. Whaley, S. Striegler 10:45 Panel Discussion. 11:05 CARB 8. Characterization of the novel monoclonal antibody, Kt-IgM-8. G.T. Hymel, P.R. Andreana, K.A. Kleski, K.R. Trabbic 11:25 CARB 9. Targeting ppGalNAc-T3 to block migration and invasiveness of cancer cells. P. Dutta 11:45 CARB 10. Analysis of epidermal growth factor receptor glycosylation by advanced mass spectrometric methods. V.L. Stahl, K.B. Chandler, D.R. Leon, M.A. Kukuruzinska, C.E. Costello 12:05 Concluding Remarks.

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11:15 BIOL 301. Mechanistic basis for ATP-dependent inhibition of glutamine synthetase by Tabtoxinine-β-lactam. L. Fang, G.J. Patrick, J.F. Schaefer, S. Singh, G.R. Bowman, T.A. Wencewicz 11:30 BIOL 302. A common mechanism links physiological activities of microbial butyrate in the colon. M. Fink, M.S. Verma, G. Salmon, N. Fornelos, T. Ohara, S. Ryu, H. Vlamakis, R. Xavier, T. Stappenbeck, G.M. Whitesides 11:45 BIOL 303. Targeting mutations to specific genes in multiple organisms. L.J. Papa, C.L. Moore, M. Shoulders 12:00 BIOL 304. Site-selective generation of stable antibody-drug conjugates via cysteine bridging of native antibodies. S.J. Walsh, S. Omarjee, M. Hyvönen, J. Carroll, D.R. Spring

TECHNICAL PROGRAM

CARB Moving the Safety Values of the ACS Forward Sponsored by PRES, Cosponsored by AGFD, ANYL, BIOL, BMGT, CA, CARB, CCS, CHAS‡, CINF, COLL, CPT, ENFL, ENVR, I&EC, ORGN, PROF and SCHB

Synergistic Approaches to Lignocellulosic Biomass Research Sponsored by CELL, Cosponsored by CARB, ENVR and POLY

SUNDAY AFTERNOON SECTION A Aloft Boston Seaport Summer 2

Structures & Functions of Glycans Cosponsored by ANYL, BIOL, CELL, MEDI and ORGN C. E. Costello, Organizer I. Compagnon, Organizer, Presiding 1:30 Introductory Remarks. 1:35 CARB 11. Chemical synthesis and isotope labeling to characterize the stereochemistry and complexity of product ions derived from mono- and disaccharides. B. Bendiak 2:10 CARB 12. Systems biology approaches for O-linked glycosylation using LC-MS/MS and microarray technologies. S. Dutta, J. Heimburg-Molinaro, A. Mehta, C. Gao, R. Cummings 2:45 CARB 13. Human milk oligosaccharides: 1000 structures for the first 1000 days. B. Stahl 3:20 Intermission. 3:35 CARB 14. Carbohydrate sequencing by electronic excitation dissociation. C. Lin, Y. Tang, J. Wei, P. Hong, C.E. Costello 4:10 CARB 15. Hydrogen/deuterium exchange – mass spectrometry of rapidly exchanging functional groups: Towards analyses of solvated glycan structures. E.S. Gallagher, O.T. Liyanage, H.J. Kim 4:45 CARB 16. Glycan fingerprinting using cold-ion infrared spectroscopy. E. Mucha, M. Marianski, W. Struwe, P.H. Seeberger, G. von Helden, K. Pagel

Moving the Safety Values of the ACS Forward Sponsored by PRES, Cosponsored by AGFD, ANYL, BIOL, BMGT, CA, CARB, CCS, CHAS‡, CINF, COLL, CPT, ENFL, ENVR, I&EC, ORGN, PROF and SCHB

Synergistic Approaches to Lignocellulosic Biomass Research Sponsored by CELL, Cosponsored by CARB, ENVR and POLY

SUNDAY EVENING SECTION A Boston Convention & Exhibition Center Exhibit Hall B2/C

General Posters Cosponsored by CELL S. J. Sucheck, Organizer 8:00 – 10:00 CARB 17. Revealing the molecular mechanisms of human 6-O-endosulfatase specificity. B. Timm, M.L. Huang, S. Verespy, K. Godula CARB 18. Interrupted Pummerer reaction mediated glycosylations: Total synthesis of resin glycoside murucoidins. J. Fang, J. Sun, S. Zhang, P. Shu, X. Xiao, P. Wu, G. Nie, L. Meng, J. Zeng, Q. Wan CARB 19. Wound healing effects of β-glucan. M. Cho, G. Seo, Y. Kim, S. Choi, S. Park CARB 20. Guar gum-poly (vinyl acetate) graft copolymers as a potential environmentally friendly warp-sizing agent. J. Xu, Q. Wang, X. Fan CARB 21. β-Selective D-psicofuranosylation of alcohols, pyrimidine bases, and thiols. A. Ueda, Y. Makura, Y. Nishimura, M. Tanaka, J. Uenishi CARB 22. Chemo-enzymatic synthetic method of sequenceregulated keratan sulfate oligosaccharides catalyzed by keratanase II. Y. Yamazaki, S. Kimura, M. Ohmae CARB 23. Designing galactonoamidines as inhibitors of α-galactosidases. I. Orizu, S. Striegler CARB 24. Glycoside cleavage via crosslinked microgel catalysts. B. Sharma, S. Striegler CARB 25. Assessing fucosyltransferase activity via MSn. D.J. Ashline, V.N. Reinhold CARB 26. Synthesis of HBA glyco-conjugates for capturing human noroviruses. A. Dhawane, B. Gurale, H. Dinh, S.S. Iyer

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CARB 27. Microgram scale synthesis of Glycopeptide Libraries: Use as standards and in screening. A.Y. Mehta, S. Dutta, M.S. Hanes, R.H. Veeraiah, C. Gao, Y. Matsumoto, N.L. Pohl, M. Boyce, R. Cummings CARB 28. Injectable DNA supramolecular hydrogel vaccine system for immunotherapy. Y. Li CARB 29. Free energy calculation of the solubility of cellulose oligomers in water: II. K. Ueda, Y. Matsubara CARB 30. Selective hydrogenation of lactose to lactitol over Ru nanoparticles embedded on NiO modified TiO2 used as support material. J. Hwang, J. Jegal CARB 31. Mesoporous sulfated titania as an efficient catalyst for selective dehydration of sorbitol to isosorbide. J. Hwang, J. Jegal, A. Dabbawala CARB 32. Tools to probe the SAR in cADPR: conformational analysis of cAPDR and cIDPR analogs and a potential photoaffinity label. I. Serrano, W. Lyu, T.J. Perez, S.M. Graham CARB 33. Phenanthroline catalyzed highly diastereoselective glycosylation. F. Yu CARB 34. Complex carbohydrate synthesis at a PUI in Central Minnesota. A. Pirinelli, D. Schultz, A. Haley, R. Ulrich, S. Benz, S. Scherbring CARB 35. One strep at a time: Chemogenomic screening of antimicrobial diamides in Streptococcus pneumoniae. S. Nayyab, B.A. Haubrich, M. Saladino, J. Belval, S.B. Symington, A. Basu, C. Reid CARB 36. Chemoenzymatic synthesis of O-mannose glycans. S. Wang, Q. Zhang, L. Li, P.G. Wang CARB 37. Understanding the biological role of parasitic N-glycans using microarrays. B. Eckmair, F. Martini, K. Paschinger, I. Wilson CARB 38. Synthesis of fluorinated glucopyranose derivatives from levoglucosan. J. St-Gelais, D. Lainé, D. Giguère CARB 39. En route to carbohydrate-based antifungal and antitumor vaccines. T. Tremblay, V. Denavit, D. Giguère CARB 40. Synthesis of fluorinated carbohydrates: Preparation of mono- and polyfluorogalactopyranoside analogs. D. Laine, V. Denavit, D. Giguère CARB 41. Conjugation of carbohydrates to proteins using di(triethylene glycol monomethyl ether) squaric acid ester revisited. P. Xu, M.N. Trinh, P. Kovac CARB 42. XBP1s activation globally remodels N-glycan distribution. K. Chen, M. Wong, M. Shoulders CARB 43. Biomarker-based metabolic labeling for redirected and enhanced immune response. S. Li, B. Yu, P.G. Wang, B. Wang CARB 44. Extending the use of silyl protecting groups in carbohydrate chemistry. S. Kamburugamuwe, M. Brichacek CARB 45. Synthesis of novel benzylidene derivatives and evaluation of ring opening properties. S. Ramberan, N.K. Jalsa CARB 46. Exploration of triazolyl-1,2-cyclohexane-hydroxydicarboxylic acids and triazolyl-cyclohexanols as potential regulators for glycosidases. M.R. Ruyonga, B. Nguyen, M. Huey, N.M. Samoshina, V.V. Samoshin CARB 47. Synthetic N-acetyl sialic acid-based chemical biology probes for exploring the biology of O-acetyl sialic acids. W. Li, A. Xiao, Y. Li, H. Yu, X. Chen CARB 48. Importance of aromatic residues in proteincarbohydrate interactions. R. Diehl, K.L. Hudson, G. Bartlett, D.N. Woolfson, L.L. Kiessling CARB 49. Evaluation of Kinetic behaviors of O-GlcNAlk toward human OGA and its bacterial hom*olog BtGH84. E.J. Kim, J. Hanover, M.R. Bond, D. Kang, J. Lee CARB 50. Stereoselective synthesis of the branched trisaccharide fragment of the antibiotic saccharomicin B. S.E. Soliman, C. Bennett CARB 51. Tailoring leaving group ability to glycan reactivity for stereospecific glycosylation reactions. M. Zhuo, C. Bennett CARB 52. Progress on the total synthesis of saccharomicin B. M. Bylsma, C. Bennett CARB 53. Developing immunotherapies for pancreatic cancers. K.R. Trabbic, K. Whalen, K. Abarca Heidemann, L. Xia, J. Gildersleeve, J.J. Barchi CARB 54. Improved approach to the direct construction of 2-deoxy-β-linked sugars: Applications toward oligosaccharide synthesis. D.L. Lloyd, C. Bennett CARB 55. Direct stereoselective synthesis of the tetrasaccharide fragment corresponding to saccharomicins B. M. Jana CARB 56. Effort toward assembly of chondroitin sulfate A bearing syndecan-1 glycopeptide. S. Ramadan, W. Yang, Z. Zhang, X. Huang

CARB 57. New methods for directed evolution of glycoconjugates targeting broadly-neutralizing HIV antibodies. R. Redman, J. Temme, I.S. MacPherson, I.J. Krauss CARB 58. Naturally derived glycan array from CHO cells to study influenza viral infection. S. Chauhan, L. Parsons, S. Yang, E. Jankowska, C. Kohnhorst, C. Agarabi, J.F. Cipollo CARB 59. Elicitation Of antibody responses in rabbits by immunization with glycopeptide conjugates that mimic an epitope of bnAb 2G12. D.N. Nguyen, B. Xu, C. Armstrong, I.J. Krauss CARB 60. Synthesis of C-3 carbohydrate exo-cyclic enones via condensation of dihydrolevoglucosenone with adamantyl aldehyde. C. Oldt, Z.J. Witczak, R. Bielski, D.E. Mencer CARB 61. New developments in picoloylated sialyl donors. A. Behm, M. Shadrick, C. De Meo CARB 62. Preparation of deoxy-sugars through a gold-catalyzed Petasis-Ferrier-like reaction. W.M. Miller, C. Bennett CARB 63. Synthesis of C-3-carbohydrate exo-cyclic enones with chromone moiety. Z.J. Witczak, R. Bielski, D.E. Mencer CARB 64. Increasing the immunogenicity of the TF carbohydrate antigen utilizing the bivalent Tn/TF-PS A1 entirely carbohydrate vaccine construct. K.A. Kleski, K.R. Trabbic, M. Shi, J. Bourgault, P.R. Andreana CARB 65. In vitro selection of glycopeptides that bind to broadly neutralizing HIV antibodies using mRNA display for vaccine design. S. Horiya, J.K. Bailey, J. Temme, I.J. Krauss CARB 66. Synthesis of modified pseudouridines, as novel nucleoside-analog inhibitors of bacterial RNA polymerase. I. Sappy CARB 67. Studies toward the synthesis of novel anasmacrolides. V.R. Sammeta, Z. Murphy, S. Rasapalli, R. Alshehry CARB 68. Promoter controlled glycosylation of 2-deoxy sugars: Synthesis of the saquayamycin-Z pentasaccharide. C. Mizia CARB 69. The MG System, a new enzymatic tool in bioconjugate chemistry. G. Cutolo, F. Reise, R. Nehme, P. Lafite, P. Renard, M. Schuler, T.K. Lindhorst, A. Tatibouêt CARB 70. Characterization of N-glycan moieties in plasma IgY from Dumetella carolinensis via mass spectrometry. J. Ebeid, R. Smith, M. Hatch, D.J. Ashline, V.N. Reinhold, K.A. Stumpo CARB 71. Preparation and application of an environmentally friendly starch-based adsorbent in the removal of Hg (II) from aqueous solution. J. Li, L. Pu, W. Xiao, H. Long CARB 72. Synthesis and development of bacteria cell wall fragment microarray and its application. J. Zhou, K. Lazor, C.L. Grimes

Diet, Health & Gut Microbiome Sponsored by AGFD, Cosponsored by AGRO, BIOL, CARB and CELL

MONDAY MORNING SECTION A Aloft Boston Seaport Summer 2

Structures & Functions of Glycans Cosponsored by ANYL, BIOL, CELL, MEDI and ORGN I. Compagnon, Organizer C. E. Costello, Organizer, Presiding 8:00 Introductory Remarks. 8:05 CARB 73. HIV glycosylation. L. Cao, J.K. Diedrich, M. Pauthner, R. Andrabi, K. Rantalainen, Z. Berndsen, D. Kulp, S. Menis, L. He, R. Park, D. Sok, C.Y. Su, C. Delahunty, A.B. Ward, W.R. Schief, D. Burton, J.R. Yates, J.C. Paulson 8:40 CARB 74. Glycosylation impacts antibody Fc receptor function and is tuned by the immune system. N. Mehta, K.B. Chandler, C.E. Costello, G. Alter 9:15 CARB 75. N-Glycans’s role in antibody allosteric signal transduction. J. Zhao, R. Nussinov, B. Ma 9:30 CARB 76. Mapping and manipulating O-GlcNAc during T cell activation. C. Woo 10:05 Intermission. 10:20 CARB 77. Elucidation of host interactions of biofilm component poly-N-acetylglucosamine from Staphylococcus aureus and Acetinobacter baumanii using glycomics microarrays. M. Kilcoyne 10:55 CARB 78. Conformational modelling of fungal mannan polysaccharide antigens: Implications for the rational design of anti-fungal vaccines. M. Kuttel

Rational Design of Multifunctional RenewableResourced Materials CNC/CNF Nanocellulose Composites Sponsored by CELL, Cosponsored by CARB, ENVR and POLY

Growing with Project SEED: 50 years and 10,000+ Students Sponsored by PRES, Cosponsored by AGFD, AGRO, ANYL, BIOL, BMGT, CARB, CINF, COLL, ENFL, ENVR, HIST, I&EC, ORGN, PROF and SCHB

MONDAY AFTERNOON SECTION A

9:05 CARB 90. Glycan complexity and biological recognition. G. Boons 9:35 CARB 91. Bacterial enzymes for one-pot multienzyme (OPME) chemoenzymatic synthesis of carbohydrates. X. Chen 10:05 CARB 92. Synthesis and characterization of a protein-polymer surfactant nanoconjugate of Cel7A from Trichoderma reesei. J.N. Pedersen, B. Pérez, Z. Guo 10:25 Intermission. 10:45 CARB 93. Structural basis for mammalian glycoenzyme substrate specificity. K. Moremen, R. Kadirvelraj, J. Yang, B. Boruah, J. Sanders, L. Liu, Y. Xiang, K. Karaveg, A. Ramiah, P. Prabhakar, G. Boons, Z. Wood 11:15 CARB 94. FtsW is a peptidoglycan polymerase. S. Walker 11:45 CARB 95. Engineering a multifunctional family 5 glycosyl hydrolase into a transglycosidase. C. Bandi, A. Goncalves, S. Chundawat

SECTION B Aloft Boston Seaport Summer 1

Aloft Boston Seaport Summer 2

Glycoprotein & Carbohydrate-Based Drugs for Human Health

Structures & Functions of Glycans

Cosponsored by CELL R. Cummings, Organizer V. Reinhold, Organizer, Presiding 9:00 Introductory Remarks. 9:05 CARB 96. Glycoprotein and carbohydrate-based drugs for human health. R. Cummings 9:35 CARB 97. Synthesis of pseudaminic acid glycosides for potential applications in the treatment of bacterial infections. B. Dhakal, D. Crich 10:05 CARB 98. O-specific polysaccharide of Vibrio cholerae O139: Improved synthesis and conjugation to BSA by squaric acid chemistry. H.B. Pfister, X. Lu, S.E. Soliman, P. Kováč 10:35 Intermission. 10:50 CARB 99. Physicochemical characterization of a Shigella flexneri serotype 2a bioconjugate vaccine candidate. N. Ravenscroft, M. Braun, J. Schneider, A. Dreyer, S. Kemmler, M. Steffen, D. Sirena, M. Wacker, M. Kowarik 11:20 CARB 100. Synthesis and in vivo evaluation of fluorine-18 labeled streptozotocin derivative as a pancreatic beta-cell imaging probe. K. Arimitsu, H. Kimura, Y. Yagi, K. Koshino, M. Hirano, T. Higuchi, H. Yasui 11:50 CARB 101. Post glycosylation diversification (PGD), a new approach to the synthesis of glycosylated small molecule compound libraries, and its application towards novel bioactive compounds containing amino sugars. Z. Cannone, C. Lorenc, A. Shaqra, S. Keshipeddy, V. Robinson, D. Wright, M.W. Peczuh

Cosponsored by ANYL, BIOL, CELL, MEDI and ORGN I. Compagnon, C. E. Costello, Organizers, Presiding 1:30 Introductory Remarks. 1:35 CARB 81. Fragment-based approaches for the determination of stereochemistry glycoconjugates using hyphenated IM-MS. S. Flitsch 2:10 CARB 82. Towards understanding the mechanism of the fucose migration in small oligosaccharides using first-principles methods. M. Marianski, E. Mucha, M. Lettow, D. Thomas, G. von Helden, P.H. Seeberger, K. Pagel 2:25 CARB 83. Toward computational glycobiology. W. Im 2:40 CARB 84. Conformational analysis on five membered ring by nuclear magnetic resonance spectroscopy. Relationships between constant couplings, chemical shift and dihedral angles. C. Mitan, R.M. Moriarty, P. Filip, E. Bartha, C. Draghici, M. Caproiu 2:55 Intermission. 3:15 CARB 85. Simple MSn sequence in tandem mass spectrometry for de novo structural determination of glucose- galactose- mannose- oligosaccharides. C.K. Ni 3:30 CARB 86. Elucidating native sialylated N-glycans isomers by electrospray ionization tandem mass spectrometry. C. Liew 3:45 CARB 87. Plant polysaccharides: Insights on structureproperty-function correlations using mass spectrometric approaches. F. Vilaplana 4:20 CARB 88. Chemical biology of plant cell wall glycans. M. Clausen 4:35 CARB 89. Single-molecule characterization of protein adsorption to multivalent glucan polymers like cellulose. S. Chundawat, B. Nemmaru, M. Hilton, M. Hackl, C. Lopez, S. Gnanakaran, M. Lang

Rational Design of Multifunctional RenewableResourced Materials Nanoparticle Structures & Properties Sponsored by CELL, Cosponsored by CARB, ENVR and POLY

Rational Design of Multifunctional RenewableResourced Materials

TUESDAY AFTERNOON

Synthesis of Renewable Materials Sponsored by CELL, Cosponsored by CARB, ENVR and POLY

Aloft Boston Seaport Summer 2

SECTION A

Tetrahedron Prize

Enzymes in Glycoscience

Sponsored by ORGN, Cosponsored by BIOL, CARB and MEDI

Cosponsored by CELL L. Wang, Organizer G. Boons, Organizer, Presiding 2:00 CARB 102. Chemoenzymatic synthesis of hom*ogeneous glycoproteins. L. Wang 2:30 CARB 103. Macrocyclic peptide inhibitors of carbohydrate-active enzymes. S. Jongkees 3:00 CARB 104. Enzymatic synthesis of glycoproteins and protein glycan interactions. T.J. Tolbert 3:20 Intermission. 3:40 CARB 105. Discovery of CAZYmes for cell surface glycan removal through metagenomics: Towards universal blood. S.G. Withers 4:10 CARB 106. Chemoenzymatic synthesis of peptidoglycan building blocks for cell wall remodeling. C.L. Grimes 4:40 CARB 107. Study of galactonoamidines as transition state analogs of glycosidases. J.B. Pickens, S. Striegler 5:00 CARB 108. Glycosyltransferase bump-hole engineering to dissect mucin-type O-glycosylation in the living cell. B. Schumann, M. Debets, S.P. Wisnovsky, A.J. Agbay, L.J. Wagner, J. Choi, M.A. Gray, C.R. Bertozzi 5:20 Concluding Remarks.

MONDAY EVENING SECTION A Boston Convention & Exhibition Center Exhibit Hall B2/C

Sci-Mix S. J. Sucheck, Organizer 8:00 – 10:00 17, 24, 26-28, 33, 36, 39, 41-42, 45, 47, 49, 52-53, 56, 64-66, 72. See previous listings.

TUESDAY MORNING SECTION A Aloft Boston Seaport Summer 2

Enzymes in Glycoscience Cosponsored by CELL G. Boons, Organizer L. Wang, Organizer, Presiding 9:00 Introductory Remarks.

SECTION B Aloft Boston Seaport Summer 1

Glycoprotein & Carbohydrate-Based Drugs for Human Health Cosponsored by CELL V. Reinhold, Organizer R. Cummings, Organizer, Presiding 2:00 Introductory Remarks. 2:05 CARB 109. Well-defined heparan sulfate mimicking glycopolymers as inhibitors of heparanase for cancer therapeutics. H.M. Nguyen 2:05 CARB 110. Chiral gold nanoparticle glycoconjugate synthesis and their anticancer and antibacterial applications relying on carbohydrate-lectin interactions. I. Yazgan, A. Ugurlu, T. Ceter, A. Akgul 2:35 CARB 111. Use of bioorthogonal N-acetylcysteamine (SNAc) analogues and peptidoglycan O-acetyltransferase B (PatB) to label bacterial peptidoglycan. K. Lazor, Y. Wang, K. DeMeester, H. Liang, T. Heiss, C.L. Grimes 3:05 Intermission. 3:20 CARB 112. Short carbohydrate amphiphiles as smart therapeutics targeting cancer. A.M. Brito, D. Soares da Costa, A.F. Carvalho, R. Reis, R. Ulijn, R. Pires, I. Pashkuleva 3:50 CARB 113. Co-assembly of peptide and carbohydrate amphiphiles to generate proteoglycan mimics. A. Brito, Y. Abul-Haija, D. Soares da Costa, R. Novoa-Carballal, R. Reis, R. Ulijn, R. Pires, I. Pashkuleva 4:20 CARB 114. Comprehensive glycan sequencing with documented results. V. Reinhold

Rational Design of Multifunctional RenewableResourced Materials New Applications Sponsored by CELL, Cosponsored by CARB, ENVR and POLY

WEDNESDAY MORNING SECTION A Aloft Boston Seaport Summer 2

New Directions in Carbohydrate Synthesis Cosponsored by CELL C. Bennett, Organizer, Presiding 9:00 CARB 115. Establishing glycosylation structurereactivity-stereoselectivity relationships. J. Codee 9:30 CARB 116. Synthesis of oligosaccharide components of the outer core domain of P. aeruginosa lipopolysaccharide using a multifunctional hydroquinone-derived reducing-end capping group. A. Vartak, S.J. Sucheck, F.M. Hefny 9:55 CARB 117. β-Mannosylation via cesium carbonatemediated anomeric O-alkylation: Mechanistic studies and synthetic applications. J. Zhu 10:25 Intermission. 10:40 CARB 118. Synthesis of the Bacteroides fragilis ATCC 25285/NCTC 9343 capsular zwitterionic polysaccharide PS A1 repeating units of oligomeric length and their importance. P. Eradi, S. Ghosh, P.R. Andreana 11:05 CARB 119. Visible-light activated high diastereoselective glycosylation. F. Yu, H.M. Nguyen 11:30 CARB 120. O-Glycosylation using a versatile remote activation strategy. J.R. Ragains

SECTION B Aloft Boston Seaport Summer 1

Glycoprotein & Carbohydrate-Based Drugs for Human Health R. Cummings, Organizer V. Reinhold, Organizer, Presiding 9:00 Introductory Remarks. 9:05 CARB 121. Glycocalyx remodeling with sialylatedglycomaterials to probe the role of glycan presentation on influenza A host recognition. C.J. Fisher, M. Cohen, M.L. Huang, P. Gagneux, K. Godula 9:35 CARB 122. Facile glycopeptide synthesis using glycoamino acid with O-Boc protection. T. Tanaka, A. Matsuda, M. Mizuno 10:05 CARB 123. Glycopeptide positive control for acid hydrolysis of glycoproteins to determine monosaccharide content. S. Patil, J. Rohrer 10:35 Intermission. 10:55 CARB 124. Glucuronic acid stabilizing short peptides into helix. C. Wu, H.N. Hoang, L. Liu, D.P. Fairlie

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11:10 CARB 79. Straightforward synthesis and multiplexed screening of N-glycan polymers with micropillar/microwell chip platform. J. White, P. Bigdelou, J. Tang, K. Yu, K. Chan, D. Wang, M. Lee, X. Sun 11:25 CARB 80. Surface immobilized polymeric glycomaterials for the attenuation of growth factor signaling and proliferation in human mesenchymal stem cells. G.W. Trieger, K. Godula

TECHNICAL PROGRAM

CARB/CATL 11:25 CARB 125. HPAE-PAD analysis of complex carbohydrates using dual eluent generation cartridge. B. Huang, Y. Chen, J. Hu, J. Rohrer 11:55 CARB 126. Synthesis, conformation and potential applications of a range of glycosyl phosphoramidates. A. Subratti, N.K. Jalsa

Functional Materials from Biopolymer Self-Assembly & Self-Organization Sponsored by CELL, Cosponsored by CARB, COLL, ENVR and POLY

Diet, Health & Gut Microbiome Sponsored by AGFD, Cosponsored by AGRO, BIOL, CARB and CELL

Solid-Phase Chemoenzymatic Methods for Analysis of Sialylated Glycans & their Intact Glycopeptides Sponsored by ANYL, Cosponsored by CARB

WEDNESDAY AFTERNOON SECTION A Aloft Boston Seaport Summer 2

New Directions in Carbohydrate Synthesis Cosponsored by CELL C. Bennett, Organizer, Presiding 2:00 CARB 127. Catalytic stereoselective synthesis of glycosides. M.G. Galan 2:30 CARB 128. Continuous flow synthesis of glycosylated cysteine monomers and S-glycosylated antimicrobial peptides. A.J. Mijalis, R.H. Veeraiah, B.L. Pentelute, N.L. Pohl 2:55 CARB 129. Synthesis of polyfluorinated hexopyranoses. D. Laine, D. Giguère, V. Denavit 3:20 Intermission. 3:35 CARB 130. Employing cell-surface glyco-engineering to elucidate the role of matriglycan from α-dystroglycan. C. Capicciotti, M. Sheikh, L. Wells, G. Boons 4:00 CARB 131. Selective catalytic methods for the synthesis of oligosaccharides and glycoconjugates. M. Walczak 4:30 CARB 132. Stereospecific and site-selective glycosylation reactions catalyzed by Bis-Thioureas. E.N. Jacobsen

Functional Materials from Biopolymer Self-Assembly & Self-Organization Sponsored by CELL, Cosponsored by CARB, COLL, ENVR and POLY

Diet, Health & Gut Microbiome Sponsored by AGFD, Cosponsored by AGRO, BIOL, CARB and CELL

THURSDAY MORNING Functional Materials from Biopolymer Self-Assembly & Self-Organization Sponsored by CELL, Cosponsored by CARB, COLL, ENVR and POLY

CATL

Division of Catalysis Science and Technology F. Tao and K. Ramasamy, Program Chairs SOCIAL EVENTS: CATL Social Hour, 6:00 PM: Mon BUSINESS MEETINGS: CATL Executive Board Meeting, 5:00 PM: Mon

SUNDAY MORNING SECTION A Renaissance Boston Waterfront Pacific Grand Ballroom Salon G

106

Role of Water & Solvent in Heterogeneous Catalysis K. A. Stoerzinger, Organizer L. Arnadottir, Z. Feng, Organizers, Presiding 8:00 CATL 1. Influencing reaction pathways by chemical and steric environment in liquid phase acid catalysis. Y. Liu, J.A. Lercher 8:30 CATL 2. Elucidating the oxygen reduction volcano in alkaline and acidic electrolytes. M. Escudero-Escribano 8:50 CATL 3. The role of dopant concentration and electrolyte pH on the performance of LaFexCo1-xO3 catalysts for oxygen reduction/evolution reaction. Z. Feng, M. Wang 9:10 CATL 4. How fast are the proton and electron transfers on RuO2? A Ru-OH deprotonation study. D. Kuo, H. Paik, D. Schlom, J. Suntivich 9:30 Intermission. 9:50 CATL 5. Structure and dynamics of liquid water on anatase TiO2(101). M.C. Andrade, H. Ko, R. Car, A. Selloni 10:20 CATL 6. Molecular-level insights into the role of water on the chemistry of sugar alcohol decompositions revealed by multiscale modeling. C.J. Bodenschatz, X. Zhang, T. Xie, R.B. Getman 10:50 CATL 7. QuickEXAFS study of Pd leaching from solid catalysts in liquid environment. M. Newton, D. Ferri, M. Hii 11:10 CATL 8. Palladium-catalyzed reductive solvolysis of aryl ethers. M. Wang, O.Y. Gutiérrez, D.M. Camaioni, J.A. Lercher

SECTION B Renaissance Boston Waterfront Pacific Grand Ballroom Salon H

Understanding Catalytic Sites on Amorphous & Disordered Materials B. R. Goldsmith, A. Kulkarni, Organizers, Presiding 8:00 CATL 9. Elucidating the multi-functionality of Ag-ZrO2/ SiO2 catalysts in the single-step thermal conversion of ethanol to butadiene. S.A. Akhade, V. Lebarbier Dagle, R. Dagle, A.B. Padmaperuma, V. Glezakou, R. Rousseau 8:40 CATL 10. Simple characterization of solid acid catalysts by reactive gas chromatography. O.A. Abdelrahman, P.J. Dauenhauer 9:10 Intermission. 9:25 CATL 11. Highly tunable platform for biomimetic catalysts from nanocrystal-amorphous polymer composites. M. Cargnello, A.R. Riscoe, C. Wrasman, A. Aitbekova, E.D. Goodman, A. Herzing, S. Bare 10:05 CATL 12. Tuning the molecular design of tertiary amine catalysts on amorphous mesoporous silica supports for glucose isomerization. N.A. Brunelli, N. Deshpande, T. Kobayashi, C. Yang, E. Cho, M. Whitaker, L. Lin, M. Pruski 10:45 CATL 13. Spatial relationships between “isolated” active sites in catalysts built on amorphous silica surfaces. S.L. Scott

SECTION C Renaissance Boston Waterfront Atlantic Ballroom 1

Catalytic Insights from In-Situ/Operando X-ray & Neutron Techniques X-ray Catalysis M. Tada, Organizer F. Tao, Z. Wu, Organizers, Presiding M. Cargnello, Presiding 8:00 Introductory Remarks. 8:05 CATL 14. In-situ catalyst characterization at Stanford synchrotron radiation lightsource (SSRL): What’s new? S.R. Bare, A.S. Hoffman, A. Boubnov 8:40 CATL 15. Identifying dynamic structural changes of active sites in Pt-Ni bimetallic catalyst using multimodal approaches. Y. Li, D. Liu, J.G. Chen, E. Stach, R.G. Nuzzo, A. Frenkel 9:15 CATL 16. Study surface of catalyst nanoparticles using synchrotron X-ray photoelectron spectroscopy. F. Tao, L. Nguyen, L. Gregoratti, M. Amati, M. Al-Hada, H. Sezen 9:50 Intermission. 10:00 CATL 17. X-ray absorption spectroscopy studies of some metal nanocatalysts. P. Zhang 10:35 CATL 18. Elucidating ultrafast electron dynamics at surfaces using extreme ultraviolet (XUV) reflection-absorption spectroscopy. L. Baker 11:10 CATL 19. Catalysts for low-temperature hydrocarbon and carbon monoxide oxidation: In-situ/operando structural characterizations of the catalytic pathways. S. Shan, J. Li, H. Kareem, Z. Wu, J. Luo, S. Wang, J. Luo, D. Tran, C. O’Brien, I. Lee, V. Petkov, C. Zhong 11:35 CATL 20. About observing active sites with in situ and operando characterization. J. van Bokhoven

SECTION D Renaissance Boston Waterfront Atlantic Ballroom 2

Application of Electron Microscopy to Catalysis Studies Visualization of Catalyst Structure with Electron Microscopy H. Liu, Organizer J. R. Jinschek, F. Tao, Organizers, Presiding 8:00 Introductory Remarks. 8:05 CATL 21. Atomic-scale study of bimetallic nanocatalysts by aberration-corrected electron microscopy. Y. Yu, P. Yang 8:25 CATL 22. Structure of Ziegler-Natta catalysts revealed by low-dose transmission electron microscopy. D.F. Yancey, C. Kisielowski, P. Specht, J. Kang, S. Rozeveld, P. Nickias 9:05 CATL 23. Time resolved and atomic resolution environmental TEM of metal surface in gas environment. S. Takeda, H. Yoshida, N. Kamiuchi, T. Tamaoka, R. Aso 9:45 Intermission. 9:55 CATL 24. In situ investigation of the evolution of layered chalcogenide catalysts during synthesis and processing. M. McDowell, N. Kondekar, M. Boebinger 10:30 CATL 25. New insights into the activation and deactivation of gold/ceria-zirconia in the low-temperature water-gas shift reaction. J. Carter, X. Liu, Q. He, S. Althahban, E. Nowicka, S. Freakley, L. Niu, D. Morgan, Y. Li, S. Golunski, C. Kiely, G. Hutchings 11:05 CATL 26. Use of transmission electron microscopy for industrial solid catalysts. C. Akatay 11:40 CATL 27. Structural evolution of metal nanoparticles in operando conditions. Y. Gao, B. Zhu

SECTION E Renaissance Boston Waterfront Atlantic Ballroom 3

Catalysis for Transformation of Carbon Dioxide or Nitrogen to Chemical & Fuel Feedstock J. Huang, Organizer, Presiding Y. Jiang, Presiding 8:00 CATL 28. Thermal and light effect in plasmonic catalysis. X. Zhang, L.X. Li, W. Yang, H. Everitt, J. Liu 8:40 CATL 29. Metal clusters, surface defects, and photoexcited electrons for CO2 photoreduction. S. Iyemperumal, J. Chen, T. Pham, G. Li, N.A. Deskins 9:00 CATL 30. High temperature catalysis at low bulk temperatures using sunlight and nanoparticles: Photothermal production of methane and water from CO2 and hydrogen. T.M. Steeves, A. Esser-Kahn 9:20 CATL 31. Plasmon-assisted Ru catalyzed hydrogenation of CO2 to CH4 using sunlight as energy source. P. Buskens, F. Sastre Calabuig, N. Meulendijks, J. Sweelssen, K. Elen, M. Verheijen 9:40 CATL 32. Surface reconstruction of tin-doped ceria nanorods for the photocatalytic reduction of CO2. T. Martin, Z. Wang, K. Tan, Y.J. Chabal, B.S. Guiton, K.J. Balkus 10:00 Intermission. 10:20 CATL 33. Electroreduction of CO2 catalyzed by a heterogenized Zn−porphyrin complex with a redox-innocent metal center. Y. Wu, J. Jiang, Z. Weng, M. Wang, D. Broere, Y. Zhong, G.W. Brudvig, Z. Feng, H. Wang 10:40 CATL 34. Reactivity and mechanism of carbon dioxide reduction at supported metal phthalocyanines. K. Manthiram 11:00 CATL 35. Preparation and activity studies of supported metal sulfide clusters. Y. Ma, M. Xue, M.G. White 11:20 CATL 36. Quasi-2D Pd/Pt nanoclams for CO2 reduction in tandem with microbial communities. A.B. Wong, F. Kracke, A.D. Antoniuk-Pablant, C. Hahn, A. Spormann, T.F. Jaramillo 11:40 CATL 37. The origin of the elusive first intermediate of CO2 electroreduction. I. Chernyshova, P. Somasundaran, S. Ponnurangam

SECTION F Renaissance Boston Waterfront Mediterranean

Meeting the Challenges of Heterogeneous Catalysis Controlled at Atomic Level W. Huang, F. Tao, Organizers C. Tsung, Organizer, Presiding Y. Zhang, Presiding 8:00 CATL 38. Design and computational study of active sites in metal-organic frameworks for oxidation of alkanes. R. Snurr

Catalysis for Environmental & Energy Applications Sponsored by ENVR, Cosponsored by CATL, CELL, ENFL and I&EC

SUNDAY AFTERNOON SECTION A Renaissance Boston Waterfront Pacific Grand Ballroom Salon G

Role of Water & Solvent in Heterogeneous Catalysis K. A. Stoerzinger, Organizer L. Arnadottir, Z. Feng, Organizers, Presiding 1:00 CATL 46. Calculations of electrochemical reduction of CO2 to hydrocarbons and alcohols. J. Hussain, E. Skúlason, H. Jonsson 1:30 CATL 47. In situ and operando investigations of electrochemical interfaces using ambient pressure XPS. E. Crumlin 2:00 CATL 48. Enhancing interface sensitivity of energy materials by resonant X-Ray scattering. I. Cordova, G. Freychet, G. Su, C. Wang 2:20 Intermission. 2:40 CATL 49. Role of surfaces and adsorbed water in indoor and outdoor air chemistry. V.H. Grassian 3:10 CATL 50. Role of water in oxidation of small molecules: Insights from in-situ spectroscopy. K. Akkiraju, D. Weinberger, W.F. Ruettinger, Y. Shao-Horn 3:30 CATL 51. Density functional theory study of the decarboxylation and decarbonylation of acetic acid over Pd (111). K. Chuckwu, S. Seekins, L. Arnadottir 3:50 CATL 52. Controlling solvent effects on heterogeneous catalysts with surface organic groups: Structure-activity relationships for pseudo-solvent effects. D. SingappuliArachchige, J.S. Manzano, I.I. Slowing 4:10 CATL 53. Solvent effects in acid and metal catalyzed reaction systems. M. Neurock, C. Sanpitakseree, P. Bai

SECTION B Renaissance Boston Waterfront Pacific Grand Ballroom Salon H

Understanding Catalytic Sites on Amorphous & Disordered Materials B. R. Goldsmith, A. Kulkarni, Organizers, Presiding 1:00 CATL 54. Computational insights into structure and catalytic properties of group VI metal oxides on amorphous silica. J. Handzlik 1:40 CATL 55. Interaction of nickel and amorphous aluminosilicate in heterogeneous oligomerization catalysts. F. Nadolny, F. Alscher, S. Peitz, R. Franke, C. Breitkopf, W. Reschetilowski 2:00 CATL 56. Self-sustaining and hysteresis behavior of low-temperature CO oxidation on mesoporous Pd/SiO2 aerogel s catalyst under dynamics conditions. K.M. Saoud, R. Al Soubaihi, J. Dutta 2:20 CATL 57. MCAT-53TM as a novel and first of its class Ruthenium based catalyst. Synthesis of intermediate of Anacetrapib (a CETP inhibitor) in water instead of organic solvents using MCAT-53TM. A. Mehta, B. Saha, A.A. Koohang, M. Chorghade 2:40 Intermission. 2:55 CATL 58. Surface-mounted cluster catalysts: dynamic ensemble nature, and dominance of rare metastable sites in defining catalytic activity, selectivity, and durability. A. Alexandrova 3:35 CATL 59. Characterization of amorphous silica based catalysts and materials using DFT modeling tools. F. Tielens

4:15 CATL 60. Toward an understanding of initiation in the Phillips catalyst. C. Vandervelden, A. Fong, Y. Wang, S.L. Scott, B. Peters

SECTION C Renaissance Boston Waterfront Atlantic Ballroom 1

Catalytic Insights from In-Situ/Operando X-ray & Neutron Techniques X-ray Catalysis M. Tada, Z. Wu, Organizers F. Tao, Organizer, Presiding Y. Li, P. Zhang, Presiding 1:00 CATL 61. Using x-rays to determine the role of support in hydrogen spillover. J. van Bokhoven 1:40 CATL 62. Well-defined nanocrystals catalysts as active phases and premier materials for spectroscopic studies of catalyst restructuring. M. Cargnello, E.D. Goodman, A. Aitbekova, C.J. Wrasman, A.R. Riscoe, A. Yang, F. AbildPedersen, S. Bare 2:15 CATL 63. In-situ characterization of promoted Rhbased catalysts for ethanol synthesis. P.C. Carrillo, R. Shi, M.G. White 2:40 Intermission. 2:50 CATL 64. Catalytic surface chemistry studied with synchrotron radiation-based x-ray techniques. W. Huang 3:30 CATL 65. In situ XPS as a surface probe for C-H reforming reactions over M-Ceria (M=Co, Ni) catalysts. S.D. Senanayake, Z. Liu, F. Zhang, J. Rodriguez 4:05 CATL 66. Operando study of Cu single site, dimers and clusters over ceria surface. F.R. Wang 4:30 CATL 67. Direct comparison of structure-activityrelationship in ceria by experiment and theory. T. Duchon, D. Mueller, C.M. Schneider, S. Nemsak 4:55 CATL 68. The secret life of Al2O3 supported platinum nanoparticles during CO/O2 redox cycling at room temperature and its relation to CO oxidation to CO2 at room temperature. M. Newton, D. Ferri, S. Checcia, M. Di Michiel, V. Lütz-Bueno, P. Abdala, M. Nachtegaal

SECTION D Renaissance Boston Waterfront Atlantic Ballroom 2

Application of Electron Microscopy to Catalysis Studies Visualization of Catalyst Structure with Electron Microscopy H. Liu, Organizer J. R. Jinschek, F. Tao, Organizers, Presiding 1:00 CATL 69. In situ transmission electron microscopy studies of nanocatalysts at atomic resolution. X. Pan, S. Dai, W. Gao, X. Yan, G.W. Graham 1:40 CATL 70. Aqueously synthesized concave Rh nanotetrahedra with defective surfaces for defect- and plasmon-enhanced catalytic energy conversion. C. Kuo, C. Kao, C. Kuo 2:00 CATL 71. Probing synthesis mechanisms of core-shell metal nanoparticle catalysts at the atomic scale using In Situ STEM. M. Chi, W. Gao, X. Pan, K. More, Y. Xia 2:40 CATL 72. Synergistic effect in colloidal Pd/Au single atom alloy nanocrystals for selective oxidations. C. Wrasman, A.R. Riscoe, A.S. Hoffman, A. Boubnov, S. Bare, M. Cargnello 3:00 Intermission. 3:20 CATL 73. Ultrafast imaging of phase reaction dynamics in Au-GaAs nanowires using 4D electron microscopy. B. Chen, Z. Cao, J. He, Z. Liu 3:40 CATL 74. In-situ TEM studies of nanocatalysts under gas environment. Y. Wang 4:20 CATL 75. Phase-pure intermetallic nanocrystals and enhanced hydrogenation chemoselectivity with intermetallic PtCu nanocatalysts. H. Yin, S. Zhou, H. Yu 4:40 CATL 76. Control of catalysis by elemental substitution in Heusler alloys: Demonstration on selective hydrogenation of alkyne. T. Kojima, S. Kameoka, S. Fujii, S. Ueda, A. Tsai

SECTION E Renaissance Boston Waterfront Atlantic Ballroom 3

Catalysis for Transformation of Carbon Dioxide or Nitrogen to Chemical & Fuel Feedstock J. Huang, Organizer, Presiding Z. Wang, Presiding 1:00 CATL 77. New bimetallic Fe-based catalysts for CO2 hydrogenation to C2-C4= olefins and C5+ higher hydrocarbons. C. Song

1:40 CATL 78. Synergistic effect of dual cations co-anchored on ceria for reforming of methane with carbon dioxide. F. Tao, Y. Tang 2:00 CATL 79. CO2 coversion to MeOH with membrane reactor using zeolite membrane. M. Matsukata, D. Yoshida, M. Sakai, M. Seshimo 2:20 CATL 80. Silica-based magnetically retrievable nanocatalysts for various chemical transformations. R. Gaur 2:40 CATL 81. Template-free synthesis of metal-doped ordered mesoporous polymer for carbon dioxide capture and conversion. M. Nabavinia, I. Noshadi, M. Knighton, M. Briguglio 3:00 Intermission. 3:20 CATL 82. Exploiting high-pressure advantages in hydrogenation of carbon dioxide to methanol. A. Urakawa 3:40 CATL 83. La-Fe-Ni-O CO2 hydrogenation catalysts exploiting the reversible segregation of Ni. P. Steiger, D. Ferri 4:00 CATL 84. Imidazole functionalized MIL-101(Cr), via metal coordination, as a highly active catalyst for carbon dioxide utilization. W.R. Webb, M. Potter, D. Stewart, S. Elliott, P. Sazio, L. Zhang, H. Luo, Z. Zhang, J. Teng, C. Ivaldi, I. Miletto, E. Gianotti, R. Raja 4:20 CATL 85. Mechanistic insights into dopant-enhanced carbon dioxide hydrogenation into hydrocarbons over indium oxide/zeolite multifunctional catalysts. S. Li 4:40 CATL 86. Computer-aided bimetallic nanoparticle design for carbon dioxide adsorption and activation. J. Dean, Y. Yang, N. Austin, G. Veser, G. Mpourmpakis

SECTION F Renaissance Boston Waterfront Mediterranean

Meeting the Challenges of Heterogeneous Catalysis Controlled at Atomic Level F. Tao, C. Tsung, Organizers W. Huang, Organizer, Presiding F. Shieh, Presiding 1:00 CATL 87. AIM-ing for catalyst synthesis with single-atom precision. Z. Li, A. Peters, K. Otake, J. Liu, K.W. Chapman, H. Noh, T. Islamoglu, O.K. Farha, J.T. Hupp 1:30 CATL 88. Carbon dioxide utilization within tetraazamacrocyclic metal organic frameworks. J. Zhu, P. Usov, A.J. Morris 2:00 CATL 89. Controlling the structures of small molecules at the interface between a nanoparticle surface and a metal–organic framework. C. Tsung 2:30 CATL 90. Evaluating substrate diffusion during interstitial MOF catalysis. D.C. Powers 2:55 Intermission. 3:05 CATL 91. Metal-organic frameworks (MOFs) as a general platform for bridging hom*ogeneous and heterogeneous catalysts. S.T. Nguyen 3:35 CATL 92. Task-specific design and functionalization of porous organic polymers for heterogeneous catalysis. S. Ma 4:05 CATL 93. Insights into MOF biochemistry: A study on the biological functionality of embedding the enzyme into metal-organic frameworks via de novo approach. F. Shieh 4:35 CATL 94. Insights into the binding and degradation of organophosphates on MOFs from a complementary experimental-modeling study. J. Harvey, D.F. Sava Gallis, C. Pearce, J. DeCoste, M. Kinnan, J.A. Greathouse 4:55 CATL 95. A metal–organic framework with exceptional activity for C-H bond amination. X. Yu, S. Cohen

MONDAY MORNING SECTION A Renaissance Boston Waterfront Pacific Grand Ballroom Salon H

Role of Water & Solvent in Heterogeneous Catalysis Transport & Reactions in Liquid-Solid & Gas-LiquidSolid Systems K. A. Stoerzinger, Organizer L. Arnadottir, Z. Feng, Organizers, Presiding 8:00 CATL 96. Tailoring electro-oxidation kinetics by controlling the shape and composition of nano-scale electrocatalysts. J. Park, M. Navaei, Z. Feng, S.W. Lee 8:30 CATL 97. Highly disordered carbon for electrochemical ammonia synthesis using N2 and H2O in alkaline electrolytes. G. Wu 9:00 CATL 98. Probing the surface of platinum during the hydrogen evolution reaction in alkaline electrolyte. K.A. Stoerzinger, M. Favaro, P. Ross, J. Yano, Z. Liu, Z. Hussain, E. Crumlin 9:20 CATL 99. Non-covalent interactions in the solvation shell of one-electron electron transfer reactions. B. Huang, S. Muy, S. Feng, Y. Katayama, Y. Lu, G. Chen, Y. Shao-Horn

107

TECHNICAL PROGRAM

8:30 CATL 39. Metal–organic frameworks as highly functional catalytic arrays. O.K. Farha 9:00 CATL 40. Immobilizing ultrafine metal clusters to porous materials for enhanced catalytic performance. Q. Xu 9:30 CATL 41. Steering oxygen reduction pathways by docking cobalt-porphyrin nanogrids on graphene. X. Huang, Y. Zhang 9:55 Intermission. 10:05 CATL 42. Precise pore engineering of stable metal− organic frameworks for heterogeneous catalysis. H. Zhou, S. Yuan, X. Yang 10:35 CATL 43. In quest of atomically precise catalysts for oxidative C-H bond activation supported in metal-organic frameworks. C.J. Cramer 11:05 CATL 44. Nanoscale metal-organic frameworks: Emerging materials for catalysis. Z. Tang 11:35 CATL 45. Conductive metal-organic frameworks (MOFs) for electrocatalytic applications. S. Marinescu

TECHNICAL PROGRAM

CATL 9:40 Intermission. 10:00 CATL 100. Hydrogenation of organic compounds on platinum group metals in aqueous media. N. Singh, C.T. Campbell, J.A. Lercher, J. Fulton, O.Y. Gutiérrez 10:30 CATL 101. In situ spectroscopic study of the structure of the electrical double layer in aqueous solutions near gold and platinum electrodes. M. Salmeron 11:00 CATL 102. Towards understanding the convoluted effects of confinement and solvent for alcohol dehydration on zeolites. F. Chen, M. Wang, H. Shi, Y. Liu, O.Y. Gutiérrez, D.M. Camaioni, J. Lercher 11:20 CATL 103. Solvent effects on elementary reactions in solid-acid catalyzed reactions: Acid-base interactions in zeolites. Y. Mu, W. Elliott, L. Wang, R.M. Rioux 11:40 CATL 104. On the stability of supported carbides (Mo,W) for deoxygenation reactions. H. Bitter, T. Haasterecht, Van, T. Wiegersma, D. Stellwagen, R. Gosselink

SECTION B Renaissance Boston Waterfront Atlantic Ballroom 1

2018 ACS Catalysis Lectureship for the Advancement of Catalytic Science: Symposium in honor of Nicholas Turner W. Kroutil, Organizer, Presiding 8:25 Introductory Remarks. 8:30 CATL 105. Biocatalytic synthesis of amides using amide bond synthetases of the McbA family. G. Grogan 9:00 CATL 106. Development of a chemoenzymatic process for a gamma secretase modulator. J.W. Wong 9:30 CATL 107. Biocatalytic cascade catalysis for pharmaceuticals. M. Truppo 10:00 CATL 108. Biocatalysis in drug discovery and drug development- Reimaging the manufacture of medicine at Novartis. R. Snajdrova 10:30 Intermission. 10:40 CATL 109. Oxygen supply for enzyme-mediated biooxidations. J. Woodley 11:10 CATL 110. Recent advances in photoenzyme catalysis. T. Hyster 11:40 CATL 111. Exploring the synergy between biological catalysis and chemical catalysis. H. Zhao

SECTION C Renaissance Boston Waterfront Atlantic Ballroom 2

Catalytic Insights from In-Situ/Operando X-ray & Neutron Techniques Neutron Catalysis M. Tada, F. Tao, Organizers Z. Wu, Organizer, Presiding K. Page, A. Ramirez-Cuesta, Presiding 8:00 Introductory Remarks. 8:05 CATL 112. The application of neutron scattering techniques to investigate reactions relevant to gasolineto-olefin formation over zeolite catalysts. D. Lennon, A. Hawkins, A. Zachariou, A. O’Malley, P. Collier, I. Silverwood, R. Howe, S.F. Parker 8:40 CATL 113. Probing solid-gas interfaces in situ with isotope contrasted neutron total scattering. K. Page 9:15 CATL 114. Insight into molecular behaviour in microporous catalysis using quasielastic neutron scattering. A. O’Malley, S.F. Parker, C. Catlow, I. Silverwood, R. Howe, S. Matam, S. Chapman, R. Raja, M. Sarwar, I. Hitchco*ck, A. York 9:40 Intermission. 9:50 CATL 115. Studying reaction on surfaces with inelastic neutron scattering. A. Ramirez-Cuesta, L. Daemen, Y. Cheng 10:25 CATL 116. Platinum-cerium oxide catalysts studied by ambient pressure X-ray photoelectron spectroscopy. Y. Mueanngern, X. Yang, Y. Tang, F. Tao, L. Baker 10:45 CATL 117. Application of inelastic neutron scattering to investigate an iron-based Fischer-Tropsch catalyst as a function of time on stream. A.L. Davidson, D.A. Maclaren, P.B. Webb, R.P. Tooze, S.F. Parker, D. Lennon 11:10 CATL 118. Probing the dynamics and structure of confined benzene in MCM-41 based catalysts. D. Dervin, C. Hardacre, R. Catlow 11:35 CATL 119. What effect does confinement have on the structure of liquid benzene? M. Falkowska, D. Bowron, H. Manyar, T.G. Youngs, C. Hardacre

SECTION D Renaissance Boston Waterfront Atlantic Ballroom 3

108

Application of Ambient Pressure XPS to Catalysis Studies Catalyst Surface Tracked with AP-XPS H. Liu, Organizer L. Baker, F. Tao, Organizers, Presiding 8:00 Introduction Remarks. 8:05 CATL 120. Copper-cobalt surface alloys in equilibrium with carbon monoxide gas. M. Salmeron 8:45 CATL 121. Present and new frontiers in APXPS catalysis research: Examples from MAX IV. J. Schnadt, J. Knudsen, A. Shavorskiy, S. Zhu 9:25 CATL 122. From classical model catalysts to liquid metal alloys. C. Papp, H. Steinrueck 10:05 CATL 123. Instrumentation for studying surface of a catalyst at high temperature in near ambient pressure with X-ray photoelectron spectroscopy. D. Wang, L. Nguyen, Y. Tang, F. Tao 10:30 Intermission. 10:40 CATL 124. A key factor for activity of catalytic reaction observed via operando measurements with near ambient pressure XPS. H. Kondoh 11:20 CATL 125. In situ surface characterization of Pt-Cu single atom alloy model system in ambient pressure of gases. I. Waluyo

SECTION E Renaissance Boston Waterfront Mediterranean

Catalysis for Transformation of Carbon Dioxide or Nitrogen to Chemical & Fuel Feedstock J. Huang, Organizer, Presiding D. Ferri, Presiding 8:00 CATL 126. Carbon dioxide to formic acid and to methanol: hom*ogeneous catalytic ways in aqueous solution at room temperatures. G. Laurenczy 8:40 CATL 127. Heterogeneous molecular catalysts for green chemical synthesis and carbon dioxide reduction. Y. Jiang 9:00 CATL 128. Fe-based magnetic ionic liquids: Synthesis, characterization, and application for carbon dioxide fixation. M. Leu, I. Cano, A. Gual, I. Vicente, J. Alves Fernandes, V. Sans Sangorrin, J. Dupont, P. Licence 9:20 CATL 129. Bio-inspired complexes for efficient catalytic interconversion between CO2/H2 and formic acid. W. Wang, Y. Himeda, M. Bao 9:40 CATL 130. CO2 hydrogenation for hydrogen storage using iridium catalysts with deprotonated picolinamide ligands. Y. Himeda, R. Kanega, N. Onishi, L. Wang, M. Ertem, J.T. Muckerman, E. Fujita 10:00 Intermission. 10:20 CATL 131. Investigations into carboxylations through a Ni(I)-intermediate. S. Laursen 10:40 CATL 132. Design of nano-gold catalysts for carbon dioxide hydrogenation to formic acid. X. Wang, Q. Liu, X. Yang, Y. Huang 11:00 CATL 133. Carbon dioxide reforming of methane over Ni-based catalysts: Effects of support properties and metal loading. Z. Wang 11:20 CATL 134. Deactivation study on Ni based pyrochlores in dry reforming of methane. S. Bhattar, A. Krishnakumar, S. Kanitkar, A. Abedin, D. Shekhawat, D. Haynes, J.J. Spivey 11:40 CATL 135. Formic acid from CO2 or carbonate via transfer hydrogenation from glycerol: Mechanistic implications for catalyst design. A. Voutchkova

SECTION F Renaissance Boston Waterfront Brewster

Meeting the Challenges of Heterogeneous Catalysis Controlled at Atomic Level F. Tao, Organizer W. Huang, C. Tsung, Organizers, Presiding 8:00 CATL 136. New catalytic materials through atomic layer-by-layer deposition. Y. Xia 8:30 CATL 137. Manipulating Au/TiO2 interface for electrondriven heterogeneous catalysis. W. Wei 9:00 CATL 138. Computational study of metal/nitrogen co-doped carbon catalysts for oxygen reduction reaction. G. Wang 9:30 CATL 139. Coupling solar energy into catalytic organic synthesis. Y. Xiong 10:00 Intermission. 10:15 CATL 140. Nanoscale engineering of efficient oxygen reduction electrocatalysts by tailoring the local chemical environment of Pt surface sites. S. Linic

10:45 CATL 141. Architectural design of bimetallic Au-Pd nanocrystals toward utilization of visible light energy for sensing and catalysis. C. Kuo, Y. Chuang, D. Cullen, J. Huang 11:10 CATL 142. Ordered bimetallic nanoparticles for heterogeneous catalysis. C.R. Bowers, W. Huang 11:40 CATL 143. Understanding the active sites and reaction mechanism for oxygen electrocatalysis on ruthenium dioxide surfaces. R.R. Rao, Y. Shao-Horn

MONDAY AFTERNOON SECTION A Renaissance Boston Waterfront Pacific Grand Ballroom Salon H

General Catalysis K. K. Ramasamy, D. E. Resasco, F. Tao, Organizers K. Lin, J. A. Lopez-Ruiz, Presiding 1:00 Introductory Remarks. 1:05 CATL 144. Amphiphilic dipyridinium-phosphotungstate complex as an active, selective and recyclable catalyst for the epoxidation of oils and fatty acids with hydrogen peroxide. L. de la Garza Becerra, A.H. Moores 1:25 CATL 145. Shaping of catalysts: Additive manufacturing for heterogeneous catalysis. T. Ludwig, B. Rieger, C. Troll, R. Fischer, M. Tonigold 1:45 CATL 146. Green synthesis of N-doped multilayer graphene/silver nano-particle composite using tea leave extract and its application as electrocatalyst for oxygen reduction reaction. C. Senarathna, S.P. Randiligama, R. Rajapakse 2:05 CATL 147. Sintering-resistant anionic single atom catalysts for O2 activation. T. Kropp, M. Mavrikakis 2:25 CATL 148. Gold nanoparticles decorated, “Click” chemistry assisted Fe3O4-CNT nanohybrid heterostructure and appraisal of their catalytic activity. D. Samanta, S. Konar, A. Pathak 2:45 CATL 149. Pd nanoparticles and aminopolymers encapsulated in hollow silica spheres as stable heterogeneous catalysts for semihydrogenation of alkynes. Y. Kuwahara, H. Yamash*ta 3:05 CATL 150. Double-shelled nanoreactor as support for confined catalytic reactions. G. Arora 3:25 CATL 151. Ti-catalyzed radical alkylation of secondary and tertiary alkyl chlorides. X. Wu 3:45 Intermission. 3:55 CATL 152. Encapsulated heterogeneous catalysts in monolithic structures for continuous flow catalytic reactions. S. Smith, S. Ghobadi, S.E. Gilliland, C.E. Castano, F. Gupton 4:15 CATL 153. Construction of an operando dual-beam fourier transform infrared spectrometer and its application in heterogeneous catalysis characterization. J. Liu, W. Zhou, Q. Xin, H. Guo 4:35 CATL 154. Automatic microkinetic mechanism generation for heterogeneous catalysis. R.H. West, E. Mazeau, F. Goldsmith 4:55 CATL 155. Sandwich-structured Pt@ZSM-5 nanosheet hybrid composites for catalytic combustion of toluene. G. Liu, Y. Tian, B. Zhang, L. Wang, X. Zhang 5:15 CATL 156. Reactions of formaldehyde in methanol conversion to olefins on H-ZSM-5 catalysts. F.M. Kirchberger, Y. Liu, S. Müller, M. Tonigold, M. Sanchez-Sanchez, J.A. Lercher

SECTION B Renaissance Boston Waterfront Atlantic Ballroom 1

2018 ACS Catalysis Lectureship for the Advancement of Catalytic Science: Symposium in honor of Nicholas Turner W. Kroutil, Organizer G. Grogan, Presiding 1:00 Introduction Remarks. 1:05 CATL 157. Conformational heterogeneity in the evolution of enzyme function. S. Osuna, C. Curado, E. Serrano-Hervás, G. Casadevall, A. Romero-Rivera, M. Garcia-Borràs, F. Feixas 1:35 CATL 158. Interfacing between experimental and computational enzyme engineering. J. Pelletier 2:05 CATL 159. Biocatalytic sp2-sp2/sp3 C-C bond formation and chiral amines. W. Kroutil, E. Eger, J. Farnberger, J. Pletz, A. Zadlo-Dobrowolska, G. Grogan, K.N. Houk, A. Simon 2:35 Intermission. 2:50 CATL 160. Development of a protease-stable Phenylalanine Ammonia Lyase as orally-administered enzyme therapy for potential treatment for PKU. G.W. Huisman, W. Hallows, C. Chng, N. Dellas

SECTION C Renaissance Boston Waterfront Atlantic Ballroom 2

Heterogeneous Catalyst Development for Biomass Upgrading F. G. Baddour, D. A. Ruddy, Organizers S. Habas, Organizer, Presiding 1:00 Introductory Remarks. 1:05 CATL 164. Catalytic deoxygenation on transition metal carbides. A. Bhan 1:25 CATL 165. Late transition metal modified β Mo2C catalysts for enhanced hydrogenation during guaiacol deoxygenation. D. Ruddy, F. Baddour, V. Witte, C. Nash, M. Griffin, J.A. Schaidle 1:45 CATL 166. Developing electrocatalytic processes for the hydrogenation of biomass-derived molecules at normal temperature and pressure. J.A. Lopez-Ruiz, K. Koh, U. Sanyal, J. Egbert, A. Padmaperuma, J. Holladay 2:05 CATL 167. A molecular approach to the design and synthesis of metal carbide catalysts for biomass upgrading. F. Baddour, D. Ruddy, C. Nash, S. Habas, J.A. Schaidle 2:25 CATL 168. High-throughput synthesis of nanostructured catalysts for biomass conversion processes. S. Habas, E.J. Roberts, D. Ruddy, E. White, F. Baddour, M. Griffin, J.A. Schaidle, N. Malmstadt, R.L. Brutchey 2:45 Intermission. 3:05 CATL 169. Enhanced ethanol conversion to ethylene on supported single site Co catalysts. P.D. Srinivasan, J.J. Bravo-Suarez 3:25 CATL 170. Cost insight for catalyst R&D and commercialization decisions with the catalyst cost estimation tool. K.M. Van Allsburg, J.D. Super, J.F. White, J.G. Frye, L. Snowden-Swan, J.A. Schaidle, F.G. Baddour 3:45 CATL 171. Catalytic site elucidation on Cu,Znpromoted MgO/SiO2 catalyst using in situ/operando measurements and DFT calculations. W. Taifan, J. Baltrusaitis 4:05 CATL 172. Aldol condensation on oxide catalysts: Mechanisms and effects of thermal treatments and metal identity. D. Flaherty, H. Zhang, D. Bregante 4:25 CATL 173. Unique active sites at the metal/support interface for the production of high value products from furanics. A. Gomez, L. Herrera, L. Barrett, S. Crossley

SECTION D Renaissance Boston Waterfront Atlantic Ballroom 3

Application of Ambient Pressure XPS to Catalysis Studies Catalyst Surface Tracked with AP-XPS H. Liu, Organizer L. Baker, F. Tao, Organizers, Presiding 1:00 CATL 174. Near ambient pressure photoemissionbased surface techniques for surface catalysis. Q. Fu 1:40 CATL 175. Interactions of gaseous molecules with X-ray photons and photoelectrons in AP-XPS study of solid surface in gas phase. F. Tao 2:05 CATL 176. Ambient pressure XPS for catalysis studies of binary alloys. M. van Spronsen, C. O’Conner, T. Egle, C.M. Friend, R.J. Madix 2:45 Intermission. 2:55 CATL 177. In-situ X-ray photoelectron spectroscopy for electrode/electrolyte interfaces. T. Masuda 3:35 CATL 178. Ambient XPS studies of surface intermediates in alcohol conversions over perovskites. Y. Zhang, A. Savara, D.R. Mullins 3:55 CATL 179. Intermetallic nanoparticles with atomic precision for selective hydrogenation of nitroarenes. W. Huang, Y. Pei 4:35 CATL 180. Palladium oxidation and catalytic activity towards CH4, C2H4, CH3OH. D. Zemlyanov, B. Klötzer 4:55 CATL 181. Understanding adsorption processes on iron oxide surfaces for ammonia formation using ambient pressure-XPS. K.A. Perrine, M. Trought, S. Nemsak, E. Crumlin

SECTION E Renaissance Boston Waterfront Mediterranean

Catalysis for Transformation of Carbon Dioxide or Nitrogen to Chemical & Fuel Feedstock J. Huang, Organizer, Presiding A. Urakawa, Presiding 1:00 CATL 182. Ammonia synthesis catalyst: Today and tomorrow. H. Liu 1:30 CATL 183. Physical catalysis for the conversion of dissolved nitrogen gas to ammonia at room temperature. A. Rondinone 1:50 CATL 184. Developing metal catalysts for efficient electroreduction of nitrogen to ammonia. X. Feng 2:10 CATL 185. Electrochemical reduction of N2 to ammonia under ambient conditions on N-doped porous carbon. X. Quan, Y. Liu 2:30 CATL 186. Photocatalytic N2 fixation: A new route for NH3 fuel. W. Wang, X. Sun, X. Li, S. Sun 2:50 Intermission. 3:10 CATL 187. Computational design of high-performance single-atom electrocatalysts for nitrogen fixation. Z. Chen 3:30 CATL 188. Semiconductor photocatalyst for solar fuels production. S. Sun 3:50 CATL 189. Investigation of intramolecular electron transfer of Ru(II)-Ru(II) and Ru(II)-Re(I) supramolecular photocatalysts for CO2 reduction. R. Sampaio, D.C. Grills, K. Koike, Y. Tamaki, O. Ish*tani, E. Fujita 4:10 CATL 190. Suppression of deactivation processes in hom*ogeneous photocatalytic reduction of CO2. M. Pschenitza, S. Meister, B. Rieger 4:30 CATL 191. Biogas dry reforming using solid waste derived catalyst: a green pathway from waste to hydrogen energy. Y. Gao, J. Jiang, Y. Meng, Y. Xu, M. Yang 4:50 CATL 192. Highly-selective hydrogenation of CO2 to 1,4-dioxane under mild conditions. S. Ni, J. Zhu, C. Li, R. Lennox

SECTION F Renaissance Boston Waterfront Brewster

Meeting the Challenges of Heterogeneous Catalysis Controlled at Atomic Level W. Huang, F. Tao, Organizers C. Tsung, Organizer, Presiding M. Waegele, Presiding 1:00 CATL 193. Nanoparticle catalysis controlled at atomic level. S. Sun 1:30 CATL 194. Atom-level control of active structures of rare earth/noble metal nanocatalysts for enhanced catalytic properties. Y. Zhang 2:00 CATL 195. Atomic-level control: From single atom to one-atom-thin interface. D. Jiang 2:30 CATL 196. Appearance of an electrochemically inert CO sub-population on Cu electrodes under CO reduction conditions in alkaline pH. M. Waegele, C. Gunathunge, V. Ovalle, Y. Li, M.J. Janik 2:55 Intermission. 3:05 CATL 197. Fundamental aspects of electrocatalysis by transition metal-nitrogen coordinated structures. S. Mukerjee 3:35 CATL 198. Immobilizing molecular catalysts for solar water oxidation. D. Wang, Y. Zhao, W. Li, D. He 4:05 CATL 199. Catalyst materials development for electrochemical CO2 splitting devices. H. Wang 4:30 CATL 200. Electrode-electrolyte interfaces in energy conversion and storage. M. Toney

Thermochemical & Biochemical Conversions of Biomass to Biofuels & Biomaterials for Energy & Environmental Applications Thermochemical & Biochemical Processes Sponsored by ENVR, Cosponsored by CATL, CELL, ENFL and I&EC

MONDAY EVENING SECTION A Boston Convention & Exhibition Center Exhibit Hall B2/C

Sci-Mix K. K. Ramasamy, F. Tao, Organizers 8:00 – 10:00 302, 312, 314, 316, 318, 320-321, 324, 329, 333, 335, 338, 341, 343, 346, 350, 352, 353. See subsequent listings.

TUESDAY MORNING SECTION A Renaissance Boston Waterfront Pacific Grand Ballroom Salon G

General Catalysis K. K. Ramasamy, D. E. Resasco, F. Tao, Organizers K. Lin, J. A. Lopez-Ruiz, Presiding 8:00 CATL 201. 3D graphene aerogel supported MoS2 and WS2 heterostructures as high performance electrocatalysts. S. Lonkar, V.V. Pillai, S. Al Hassan 8:20 CATL 202. A hybrid organic linker forms an efficient non-supported non-precious-metal-based metal–organic coordination network porous material for oxygen reduction reaction. K. Ping, R. Bhadoria, N. Kongi, P. Starkov, K. Tammeveski 8:40 CATL 203. Super small polymeric carbon nitride nanosphere for photocatalytic hydrogen evolution. H. Wang, S. Zhang, M. Li, X. Zhu, X. Liu, Q. Ge 9:00 CATL 204. Hypervalent iodine (III) supporting UiO-67 and DUT-5 as catalysts for the oxidation of aromatic diols. B. Tahmouresilerd, L. Agogo, A.F. Cozzolino 9:20 CATL 205. Synthesis and characterization of templatefree ordered mesoporous catalyst. M. Nabavinia, I. Noshadi, A. Hesketh, P. Philip Wall, M. Knighton, E. Kuhlman, S. Rittweger, J. Ryan 9:40 CATL 206. Characterization of organometallic complexes supported by β-diketonate ligands. E.J. Hopkins, S.J. Scappaticci, A.S. Crossman, M.P. Marshak 10:00 CATL 207. Transfer hydrogenation of carbonyl compounds with isopropanol under base-free conditions catalyzed by a metal−ligand bifunctional iridium catalyst. F. Li 10:20 Intermission. 10:30 CATL 208. Hexamethyl-1, 1’-spirobiindane-based bisoxazoline (HMSI-BOX) ligands for Fe-catalyzed asymmetric reactions. H. Gu, L. Xu-Feng 10:50 CATL 209. Magnesium salts and imidazole: Cost-effective and sustainable catalysts for the efficient synthesis of primary amides from unactivated carboxylic acids. P. Marce-Villa, A. Chhatwal, H. Lomax, A. Blacker, J. Williams 11:10 CATL 210. Abnormal N-heterocyclic carbenes as ligands in catalytic transfer hydrogenation and as central modules in heterobimetallic complexes. L. Pardatscher, M.J. Bitzer, R. Reich, W. Baratta, F.E. Kuehn 11:30 CATL 211. Functionalizing olefins via a new radical catalytic mechanism of nitroxides. J.C. Siu 11:50 CATL 212. Stable CAAC-based complexes in dynamic olefin metathesis. O. Kravchenko, B. Timmer, M. Biedermann, K. Inge, O. Ramstrom

SECTION B Renaissance Boston Waterfront Pacific Grand Ballroom Salon F

Fundamental Understanding of Catalysis at Interface through Computational Approach Electrochemical Interfaces & Catalysis D. Jiang, Organizer, Presiding F. Jiao, Presiding 8:00 CATL 213. Catalytic cycle elucidation for oxygen reduction on graphite-conjugated catalysts. N. Ricke, T. Marshall-Roth, A.T. Murray, Y. Surendranath, T.A. Van Voorhis 8:20 CATL 214. Electrochemical CO2 conversion to valuable chemicals. F. Jiao, M. Jouny 9:00 CATL 215. New active electrode systems for electrosynthesis. S.R. Waldvogel 9:40 Intermission. 10:10 CATL 216. Strong metal-oxide interactions and materials design for electrocatalytic CO2 reduction reactions. H. Wang 10:50 CATL 217. Chemical and electrochemical stability of perovskite oxide surfaces in energy conversion: Mechanisms and improvements. B. Yildiz 11:30 CATL 218. Non-covalent interactions at electrified interfaces in energy conversion and storage reactions. B. Huang, Y. Katayama, R.R. Rao, Y. Shao-Horn

SECTION C Renaissance Boston Waterfront Pacific Grand Ballroom Salon H

Heterogeneous Catalyst Development for Biomass Upgrading F. G. Baddour, S. Habas, Organizers D. A. Ruddy, Organizer, Presiding

109

TECHNICAL PROGRAM

3:20 CATL 161. Biocatalysis: Harnessing the power of nature’s catalysts to build complex molecules. A.R. Narayan 3:50 CATL 162. Directed evolution of artificial metalloenzymes. J.C. Lewis 4:20 Presentation of ACS Catalysis Lectureship Award. 4:25 CATL 163. Design and evolution of new biocatalysts for organic synthesis. N. Turner 5:05 Concluding remarks.

TECHNICAL PROGRAM

CATL 8:00 CATL 219. Selectivity dependence in catalytic hydrogenolysis of lignin and lignin model compounds on the choice of metal and support. S.L. Scott 8:20 CATL 220. In-situ NMR of the catalytic depolymerization of lignin model polymers. Y. Gao, M.B. Foston, H. Duan 8:40 CATL 221. Lignin valorization by pyrolysis and catalytic oxidation over supported vanadia catalysts. M. Yung, C. Mukarakate, M.R. Nimlos 9:00 CATL 222. Direct biomass conversion into fuels and chemicals over multifunctional nanozeolite-Y based catalyst. D. Verma, R. Insyani, J. Kim 9:20 Intermission. 9:40 CATL 223. Low temperature C-H bond breaking on an inexpensive metal oxide: Methanol to formaldehyde on cerium oxide. J.E. Sutton, T. Danielson, A. Beste, A. Savara 10:00 CATL 224. Highly selective production of acrylic acid from glycerol via two-step pathway using Au/CeO2 catalysts. M. Kim, H. Lee 10:20 CATL 225. Controlling catalytic activity and selectivity of bioprivileged 2-pyrone platform intermediates to functionalized aromatics: The influence of acid sites and solvents. M. Neurock, A. Chemburkar, T. Pfennig, B.H. Shanks 10:40 CATL 226. Acid catalyzed production of 1,3-butadiene from biomass derived tetrahydrofuran. O. Abdelrahman, P.J. Dauenhauer

SECTION D Renaissance Boston Waterfront Atlantic Ballroom 2

Catalytic Activation & Chemical Transformation of Light Alkanes K. K. Ramasamy, F. Tao, Organizers, Presiding 8:00 Introductory Remarks. 8:05 CATL 227. Selective oxidation of n-butane to maleic anhydride over multi-walled carbon nanotube doped VPO catalyst. X. Chen, B. Wen, R. Liu, S. Zhang 8:30 CATL 228. Hydrocarbon upgrading on sulfur containing catalysts. L. Sharma, R. Upadhyay, A. Wang, G. Yan, M. Ford, I.E. Wachs, Z. Wu, S. Rangarajan, J. Baltrusaitis 9:05 CATL 229. Reactivity of PdZn surfaces: From simplicity of atomically flat surfaces to complexity of technical catalysts. C. Milligan, J.T. Miller, F. Ribeiro, D. Zemlyanov 9:35 CATL 230. Dry reforming of methane over CeO2supported Pt-Co catalysts with enhanced activity. Z. Xie, B. Yan, S. Kattel, J. Lee, S. Yao, Q. Wu, J.G. Chen 9:55 Intermission. 10:05 CATL 231. Role of confinement in selective C-H bond activations in MoV oxides. Y. Liu, A. Leelavathi, S. Ezenwa, P. Deshlahra 10:25 CATL 232. Brønsted and Ga Lewis acid synergy in ZSM-5 for alkane dehydrogenation. M. Schreiber, C. Plaisance, R. Bermejo de Val, J. Lercher 11:15 CATL 233. PtCu single atom alloys for selective CH activation. P. Kress 11:45 CATL 234. Effect of the surface termination of perovskite catalysts on acid-base catalysis and methane activation. F. Polo-Garzon, V. Fung, X. Liu, S. Yang, G. Foo, E. Bickel, L. Bai, M. Chisholm, M. Chi, D. Jiang, Z. Wu

SECTION E Renaissance Boston Waterfront Atlantic Ballroom 3

New Vistas in Heterogeneous Catalysis: Symposium in honor of Robert Grasselli D. Buttrey, W. A. Goddard, A. F. Volpe, Organizers, Presiding 8:00 Introductory Remarks. 8:05 CATL 235. Remembering Robert K. Grasselli: Reflections on three decades of collaboration on complex oxides for selective oxidation. D.J. Buttrey 8:40 CATL 236. Quantum mechanics based mechanisms for selective activation of hydrocarbons by mixed metal oxide heterogeneous catalysts – A tribute to Robert Grasselli. W.A. Goddard 9:15 CATL 237. Irsee symposium revisited – My memories of Professor Robert Grasselli. M. Bhasin 9:50 Intermission. 10:10 CATL 238. Support effect in oxide catalysis: C-H bond activation on vanadia/ceria compared to vanadia/ silica. J. Sauer 10:45 CATL 239. Low temperature selective oxidation of ethylbenzene by catalyzed co-oxidation using Co-ZSM-5 and solubilized Au clusters catalysts. A. Peng, M. Ross, L. Qian, M. Kung, B.M. Hoffman, H. Kung

110

11:20 CATL 240. Modern insights into bulk mixed metal oxide catalysts. I.E. Wachs

SECTION F Renaissance Boston Waterfront Mediterranean

Meeting the Challenges of Heterogeneous Catalysis Controlled at Atomic Level F. Tao, C. Tsung, Organizers W. Huang, Organizer, Presiding L. Baker, Presiding 8:00 CATL 241. Alloy catalysis spanning composition space: Hydrogenation on CuxAuyPd1-x-y. A.J. Gellman, I. Sen, P. Kondratyuk 8:30 CATL 242. Tailoring the activity of Pt/CeO2 catalysts via high temperature synthesis. X. Pereira-Hernandez, A. DeLaRiva, D. Kunwar, H. Xiong, B. Sudduth, M. Engelhard, L. Kovarik, Y. Wang, A.K. Datye 9:00 CATL 243. Parahydrogen spin labelling studies of hydrogenation catalysis over silica-encapsulated Pt-Sn intermetallic nanoparticles. E. Zhao, H. Hagelin-Weaver, W. Huang, C.R. Bowers 9:30 CATL 244. Effects of co-processing organic chlorides on rates and selectivity of ethylene epoxidation on promoted Ag/Al2O3 catalysts. J.W. Harris, C. Chen, A. Bhan 10:00 Intermission. 10:10 CATL 245. The challenge of creating well-defined cation sites in zeolite: A study of propane dehydrogenation on Ga/H-MFI. A.T. Bell 10:40 CATL 246. Single rhodium atoms anchored in micropores for efficient transformation of methane to acetic acid and methanol under mild conditions. F. Tao 11:10 CATL 247. Catalysis at multiple length scales: Bifunctional activation at nanoscale and mesoscale interfaces in platinum–cerium oxide catalysts. L. Baker, Y. Mueanngern 11:35 CATL 248. Nano-catalysts for the synthesis/ dehydrogenation of formic acid as a renewable hydrogen carrier. K. Mori, S. Masuda, H. Yamash*ta

Thermochemical & Biochemical Conversions of Biomass to Biofuels & Biomaterials for Energy & Environmental Applications Hydrogen, Biofuels & Biomass Upgrading Sponsored by ENVR, Cosponsored by CATL, CELL, ENFL and I&EC

TUESDAY AFTERNOON SECTION A Renaissance Boston Waterfront Pacific Grand Ballroom Salon G

General Catalysis K. K. Ramasamy, D. E. Resasco, F. Tao, Organizers K. Lin, J. A. Lopez-Ruiz, Presiding 1:00 CATL 249. Microwave catalytic conversion of ethane to higher value chemicals. X. Bai, B. Robinson, S. Tiwari, J. Hu 1:20 CATL 250. Insights into the structure-performance of Fe-based Fischer-Tropsch Synthesis catalysts: From the surface to the bulk. J. Wang, S. Huang, X. Ma 1:40 CATL 251. Synthesis of doped layered double hydroxides in a meso-scale continuous flow reactor. P. Yaseneva, N. An, M. Finn, N. Tidemann, N. Jose, A. Voutchkova, A. Lapkin 2:00 CATL 252. Reactivity of inverse catalysts prepared by size-selected deposition of metal oxide clusters. K. Goodman, M. Xue, J. Wang, M.G. White 2:20 CATL 253. Development of a new generation of stable, tunable, and catalytically active nanoparticles produced by the helium nanodroplet deposition and doping segregation methods. A. Orlov, Q. Wu, J.G. Chen, E. Stach, M. Lindsay, C. Ridge, A. Frenkel 2:40 CATL 254. Optimized phase heterojunctions in enhancing the photoelectrochemical activity of TiO2 photoanodes: A surface energy insight. A.R. Ballestas Barrientos, T. Maschmeyer, A. Masters 3:00 CATL 255. Study of parameters affecting carburization extent of active metallic species for the non-oxidative valorization of natural gas. S. Balyan, S. Mishra, M. Haider, K.K. Pant 3:20 CATL 256. Highly active and stable carbon nanosheets supported iron oxide nanocatalysts for Fischer-Tropsch to olefins synthesis. Y. Zhou, S. Natesakhawat, T. Nguyen Phan, C. Marin, D. Kauffman, J. Lekse, C. Matranga, H. Xin, E. Stavitski, K. Attenkofer, I. Waluyo, Y. Tang, Y. Guo, A. Roy, C. Wang 3:40 Intermission.

3:50 CATL 257. Improving methanol-to-olefins turnover capacity of CHA materials by controlling methanol transfer dehydrogenation rates. P. Bollini, A. Bhan 4:10 CATL 258. Taming hydrogen cyanide and methyl mercaptan for hom*ogeneous catalysis. S. Kristensen, T. Skrydstrup 4:30 CATL 259. Insights into the effect of metal mole ratio in PtNiCu catalysts for the study of the ethanol oxidation reaction. S. Jilani, E. Iyanobor, D. Zager, Y. Tong 4:50 CATL 260. Elucidation of methanol poisoning mechanism of sulfonic acid catalysts. M. Salazar, C. Chi, S. Fetsko 5:10 CATL 261. Determining molecular mechanisms for gas adsorption in metal-organic frameworks using X-ray spectroscopy. W. Drisdell, G. Su, L. Wan, D. Prendergast, J. Kortright

SECTION B Renaissance Boston Waterfront Pacific Grand Ballroom Salon F

Fundamental Understanding of Catalysis at Interface through Computational Approach Hydrogen Evolution & Related Reactions D. Jiang, Organizer Z. Chen, Y. Sun, Presiding 1:00 CATL 262. High activity hydrogen evolution catalysis by uniquely designed amorphous/metal interface of core– shell phosphosulfide/N-doped CNTs. B. Han 1:20 CATL 263. Interfacing metals and metal nitrides creates superior electrocatalysts for both hydrogen evolution and oxidation reactions. Y. Sun 2:00 CATL 264. Theoretical suggestion and experimental proof for functionalization of h-BN by gold as electrocatalysts for ORR and HER. T. Taketsugu, A. Lyalin, M. Gao, K. Uosaki 2:40 Intermission. 3:00 CATL 265. Molecular mimics of MoS2 edges for hydrogen-evolution electrocatalysis. Y. Wu 3:40 CATL 266. Chemistries of layered transition metal compound materials. A. Vojvodic 4:20 CATL 267. Computational quest for high-performance single-atom electrocatalysts. Z. Chen 5:00 CATL 268. Co-activation of CO2 and CH4 on ZnO/ In2O3 for direct C-C formation. Y. Zhao, X. Zhu, H. Wang, J. Han, D. Mei, Q. Ge

SECTION C Renaissance Boston Waterfront Pacific Grand Ballroom Salon H

Heterogeneous Catalyst Development for Biomass Upgrading S. Habas, D. A. Ruddy, Organizers F. G. Baddour, Organizer, Presiding 1:00 Introductory Remarks. 1:05 CATL 269. Opportunities and limitations for surface science-informed design of deoxygenation catalysts. J.W. Medlin 1:25 CATL 270. Insights into the electrochemical conversion of biomass derivatives to fuels and chemicals. A. Román, Z. Barton, A. Holewinski 1:45 CATL 271. Increasing conversion selectivity for biomass relevant reactions through molecularly tuning catalyst design. N.A. Brunelli, N. Deshpande, C. Yang, E. Cho, M. Whitaker, L. Pattanaik, L. Lin 2:05 CATL 272. Hydrophobic modification of grafted sulfonic acid/silica catalysts does improve their tolerance to water during esterification. W. Elliott, I. Burgos, J. Sutyak, Y. Mu, R.M. Rioux 2:25 CATL 273. Various nanocatalysts for catalytic furfural hydrogenation. K. An 2:45 Intermission. 3:05 CATL 274. Biphasic catalytic process for production of renewable fuels and chemicals. H. Lin 3:25 CATL 275. Preventing the deactivation of Sncontaining zeolites during continuous biomass processing. C. Hammond 3:45 CATL 276. One-pot direct conversion of cellulosederived compounds into highly selective 2,5-dimethylfuran over multifunctional Cu-Pd/Zr-based metal-organic framework heterogeneous catalyst. R. Insyani, D. Verma, J. Kim 4:05 CATL 277. Mesoporous catalyst for microalgae liquified biocrude upgrading: Kinetics and mechanism study. J. Bian, J. Li, C. Li, L. Feng

SECTION D Renaissance Boston Waterfront Atlantic Ballroom 2

A. Orlov, Organizer D. Su, S. Zhang, Organizers, Presiding 1:00 CATL 278. Subphthalocyanine-based covalent organic frameworks for organic photovoltaics. S.A. Lopez, J.M. Cox 1:20 CATL 279. Photochemical synthesis route to typical transition metal sulfides as highly efficient cocatalyst for hydrogen evolution: From the case of NiS/g-C3N4. H. Zhang, Y. Dong, G. Wang, P. Jiang 1:40 CATL 280. Photocatalysis facilitated by heterojunctions in two dimensional materials. Z. Wu 2:10 CATL 281. The role of grain boundaries and dopants in crystalline BiVO4 thin film solar water splitting photoanodes. M. Liu 2:35 Intermission. 2:45 CATL 282. Photocatalysis on quantum-sized nanoparticles. Y. Sun 3:15 CATL 283. Facet-dependent activity in the photocatalytic conversion of methane to methanol using bismuth vanadate. W. Zhu, M. Shen, G. Fan, A. Yang, J. Meyer, Y. Ou, J. Fortner, M.B. Foston, Z. Li, Z. Zou, B. Sadtler 3:40 CATL 284. Construction of TiO2 p-n hom*ojunctions for photocatalytic applications. X. Zhang, S. Guoqiang, Y. Chen, L. Pan, L. Wang, J. Zou 4:00 CATL 285. Passivated porous m-BiVO4/m-Bi4V2O11 nanocomposite for highly efficient water oxidation. H. Ren, T. Dittrich, C. Zhao, C.C. Sorrell 4:20 CATL 286. Visible light photocatalysis mechanism on designed O/Ba co-functionalized amorphous carbon nitride. F. Dong, W. Cui, Y. Sun 4:40 CATL 287. Improvement of visible light response photoatalyst ZnIn2S4 based on bandgap engineering with metal co-doping. I. Tateishi, M. Furukawa, M. Inoue, H. Katsumata, S. Kaneco

SECTION E Renaissance Boston Waterfront Atlantic Ballroom 3

New Vistas in Heterogeneous Catalysis: Symposium in honor of Robert Grasselli D. Buttrey, W. A. Goddard, A. F. Volpe, Organizers, Presiding 1:00 CATL 288. Memories of Robert K. Grasselli at SOHIO – A visionary and revered mentor. J. Bartek 1:35 CATL 289. Mechanisms of selective oxidation and ammoxidation catalysis: A tribute to the legacy of R. K. Grasselli. J.D. Burrington 2:10 CATL 290. Thin films as model materials in catalysis: A perspective at the atomic level. H. Freund 2:45 Intermission. 3:05 CATL 291. Metal-decorated metal–organic frameworks active for propane functionalization: A combined computational and experimental study. L. Gagliardi 3:40 CATL 292. Phase transitions on the surface of alkane oxidation catalysts. A. Trunschke 4:15 CATL 293. Energy and economic metrics for evaluating chemical processing technologies associated with oxidative dehydrogenation: Ethylene case study. A. Gaffney 4:50 Concluding Remarks.

SECTION F Renaissance Boston Waterfront Mediterranean

Meeting the Challenges of Heterogeneous Catalysis Controlled at Atomic Level W. Huang, F. Tao, Organizers C. Tsung, Organizer, Presiding N. Fang, Presiding 1:00 CATL 294. Hydrogen production without CO2: Experiments and computations. D. Upham, C. Palmer, J. Zeng, S. Su, V. Agarwal, H.H. Kristoffersen, M.J. Gordon, E.W. McFarland, H. Metiu 1:30 CATL 295. Surface acidity of atomic dispersed aluminum species in silica for sustainable fuels and chemicals production. J. Huang, Z. Wang 2:00 CATL 296. Elucidating the chemical nature of single-site catalysts from first principles. A.J. Hensley, A. Therrien, M. Marcinkowski, R. Zhang, K. Groden, F.R. Lucci, B. Coughlin, A. Schilling, E.H. Sykes, J. McEwen 2:30 CATL 297. Atomically-dispersed Re sites via an anhydrous perrhenate grafting strategy for high activity olefin metathesis catalysts. S.L. Scott 3:00 Intermission. 3:10 CATL 298. Shape matters: Oxide nanocrystals as catalysts and catalyst supports. Z. Wu

3:40 CATL 299. In situ quantitative study of nanoconfinement effects in heterogeneous catalysis at the single-molecule and single-particle level. N. Fang, W. Huang, B. Dong, Y. Pei 4:10 CATL 300. Intermetallics enable rational control of catalytic active site nuclearity and composition. A. Dasgupta, H. He, E. Zimmerer, M. Janik, R.M. Rioux 4:40 CATL 301. Rhodium copper for selective C-H activation at the single-atom limit. R.T. Hannagan, E.H. Sykes

Thermochemical & Biochemical Conversions of Biomass to Biofuels & Biomaterials for Energy & Environmental Applications Biochars & Renewable Carbons Sponsored by ENVR, Cosponsored by CATL, CELL, ENFL and I&EC

Novel Catalytic Materials Frontier Catalysts Progress Sponsored by ENFL, Cosponsored by CATL

TUESDAY EVENING SECTION A Boston Convention & Exhibition Center Exhibit Hall B2/C

General Catalysis K. K. Ramasamy, D. E. Resasco, F. Tao, Organizers 6:00 – 8:00 CATL 302. New phase-separable polyisobutylene palladium catalysts for Buchwald-Hartwig amination reaction. E.P. Sliwinski, J. Balogh, A.R. Hlil, I. El-Zoghbi, M. Ghufran Rafique, D. Chouikhi, M. Al-Hashimi, H.S. Bazzi CATL 303. Facile synthesis of 3D flower-like Ni2P composed by nanoplates towards electrochemical water splitting. H. Zheng, X. Huang, G. Wang CATL 304. Development of a novel Pd based heterogeneous catalyst for catalytic reduction of CO2 by H2. Q. Zhao, C. Zhang CATL 305. Catalytic reduction of CO2 by H2 to value-added products over novel Pd-Pt based heterogeneous catalysts. A. Salzano, C. Zhang CATL 306. A novel Fe based heterogeneous catalyst for carbon dioxide catalytic conversion to value-added products. A. Tripoli, C. Zhang CATL 307. A novel Co-Ni based heterogeneous catalyst for catalytic reduction of CO2 by H2 to value-added products. C. Velasquez, C. Zhang CATL 308. Converting carbon dioxide to value-added products over a novel palladium based catalyst supported on iron oxide. T. Reid, C. Zhang CATL 309. Development of a novel Ni-polyoxometalate based heterogeneous catalyst for carbon dioxide conversion to value-added products. M. Mohtarami, C. Zhang CATL 310. Strongly reducing organic photoredox catalysts for small molecule and macromolecular synthesis. B. Buss, G. Miyake CATL 311. Solvent effect in the efficiency of V- and Ceincorporated MCM-41 for liquid phase oxidation of benzyl alcohol. C.M. Aiube, J.L. de Macedo CATL 312. Photodecomposition of liquids in carbon dioxide enriched enviroment by nanostructured colbalt catalyst. E. Farrell, D.K. Ryan, K. Davies CATL 313. Synthesis and research of metal-organic frameworks materials based on the nitrogen and carboxylic acid ligands. D. Sheng CATL 314. Mesoporous manganese oxide catalyzed aerobic oxidation of alkyl arenes to carbonyl compounds. D. Rathnayake, S.L. Suib CATL 315. Double donor Sb5+ doped hematite (Fe3+) photoanodes for surface-enhanced PEC water splitting. A. Annamalai, R. Sandström, E. Gracia Espino, N. Boulanger, J. Boily, I. Muehlbacher, T. Wagberg CATL 316. Efficient catalytic oxidation of aldehydes to carboxilic acids in the presence of Zn doped MCM-41. E. Pimentel Martínez, D. Perez Martinez, L. Lomas Romero, G. Negron Silva, D. Ángeles Beltrán CATL 317. Study of protein and peptide-directed nanoparticle synthesis for catalytic materials. A. Mosleh, R. Beitle, M. Beyzavi CATL 318. Characterization and photophysical properties of porphyrins based metal organic framework (RWLCAA-1) obtained by self-assembly of zinc 5,10,15,20-tetra(4-pyridyl)21H,23H-porphine. A. Alanazi, R.W. Larsen CATL 319. Methane decomposition for the production of COx-free hydrogen and carbon nanotubes over transition metal aerogel catalysts. B. Bao, I. Wang, T. Haines, L. Ren, H. Tian, J. Hu

CATL 320. Applications of microwave plasma catalysis. A.M. Caiola, S. Tiwari, X. Bai, A.D. Lalsare, J. Hu CATL 321. Stability of Fe and Zn promoted Mo/ZSM-5 catalysts for ethane dehydroaromatization in cyclic operation mode. B. Robinson, X. Bai, V. Abdelsayed, D. Shekhawat, J. Hu CATL 322. Direct conversion of methane to methanol using supported Pt/CeO2 catalysts. H. Park, S. Kye, K. Lee, H. Suh, J. Kim, N.H. Hur CATL 323. Catalyst screening for the depolymerization of alkali lignin in the presence of subcritical water. B. Jadhav, R. Roy, D.E. Raynie CATL 324. co*ke resistance in dry reforming of methane over supported Ni-In catalysts under high-pressure conditions. H. Dang, S. Roshandel, A. Goeppert, N. Entesari, S.G. Prakash CATL 325. Interface engineering for a poison-free CO oxidation by Pt@Cu core@shell nanoparticles. K. Shin, L. Zhang, H. An, H. Ha, G.A. Henkelman, H. Kim CATL 326. In-situ near-ambient pressure X-ray photoelectron spectroscopy studies of the catalytic and gas sensing properties of copper and tin oxides. M. Vorokhta, I. Khalakhan, P. Hozák, M. Novotný, J. Vlcek, P. Fitl, M. Vondráček, J. Lančok, V. Matolin CATL 327. Methane pyrolysis for carbon nanotubes and CO2-free H2 over transition metal catalysts. I. Wang, D. Ayillath Kutteri, B. Bao, E. Chia, H. Tian, J. Hu CATL 328. Metal-organic framework host/guest photocatalysts for CO2 reduction. J. Martin CATL 329. Understanding the dynamics of ceria-based catalysts using in situ transmission electron microscopy (TEM). J. Sung, B. Choi, B. Kim, J. Park CATL 330. Parametric study on production capacity of fluid catalytic cracking (FCC) reactor using ASPEN HYSYS as a simulating tool and zeolite as catalyst, a case study of Kaduna Refining and Petrochemical Company (KRPC) FCC reactor. J.O. Olujinmi, G. Olugbenga CATL 331. Two-dimensional ZnxCd1-xS solid solution nanosheets for highly efficient visible-light-driven hydrogen generation. J. Lu, J. Shi CATL 332. Synthesis of cerium doped CuMgAl mixed metal oxides and utilizing their properties for enhanced visible light photocatalysis. K. Goswami, R. Ananthakrishnan CATL 333. Examination of catalytic hydrolysis of a methylparaoxon (MPO) nerve-agent simulant with intrinsically controlled UiO-66 in particle size and defect site density. K. Baek, K. Cho CATL 334. Concave Bi2WO6 nanoplates with oxygen vacancies achieving enhanced electrocatalytic and photocatalytic activitie. M. Dekun CATL 335. Nickel nanoparticles as electrocatalyst for methanol oxidation reaction produced under galvanostatic control. M.P. Salinas, M. Videa, D.A. Crespo-Yapur CATL 336. Insights from molecular dynamics simulations of substrate binding in a pH-affected fungal beta-glucosidase. M. Solhtalab, D. Flannelly, L. Aristilde CATL 337. Hydrodeoxygenation pathways on the bimetallic phosphide catalysts. V. Jain, N. Rai CATL 338. Electrochemical difunctionalization of alkenes. N. Fu CATL 339. In situ FTIR determination of surface adsorption species over bimetallic alloy catalysts in catalytic oxidation of carbon monoxide. R. Robinson, D. Caracciolo, S. Shan, S. Wang, J. Luo, C. Zhong CATL 340. Probing hydrogen nanobubble evolution at single catalytic sites on polycrystalline platinum and gold surfaces. R.T. Perera, C.E. Arcadia, J. Rosenstein CATL 341. Urea H-bond donating catalysts for ring-opening polymerization of lactones: Mechanistic insights via Hammett relationship. R.S. Hewawasam, J.U. Pothupitiya, M.K. Kiesewetter CATL 342. Low temperature electrocatalytic carboxylation of aryl halides via platinum-decorated graphene nanoplatelet electrodes. S. Ghobadi, S. Smith, S.E. Gilliland, C.E. Castano, T. Roper, F. Gupton CATL 343. Microwave-assisted catalytic synthesis of ammonia from CH4 and N2 under ambient pressure. S. Tiwari, X. Bai, J. Hu CATL 344. Configuration dependent adsorbate interactions study using support vector machine model. S. Zhengjiang CATL 345. Low temperature ethylene oxidation over Pt supported hydrophobic mesopores of SBA-15. S.S. Satter, K. Nakajima, A. f*ckuoka CATL 346. Synthesis, characterization of benzyl sulphonic acid functionalized MCM-41 and its catalytic application in preparation of CL-20 via HNO3 electrolyte involved nitration of TAIW. S. Chen, C. Yang, H. Qian, D. Liu

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TECHNICAL PROGRAM

Advanced Catalytic Materials with Well-Defined Nanostructures for Energy & Fuel Sustainability

TECHNICAL PROGRAM

CATL CATL 347. Intramolecular reactions of alkyne-acids using a gold functionalized cavitand. T.D. Ho, M. Schramm CATL 348. Novel and selective palladium (II) OCO pincer catalysts for the α-arylation of ketones. W. Kai, H. Qian, Z. Ye, D. Liu CATL 349. Steerable transition of Ru(0001)/FeO(111) through reduction by hydrocarbons. W. Rong, K. Wu CATL 350. Facile approach for the oxidation of aniline to nitrosobenzene using mesoporous W/Ti mixed metal oxide. W. Thalgaspitiya, T. Premalal, S.L. Suib CATL 351. A novel biphosphine ligands with Fe-center promoted rhodium –catalyzed hydroformylation of vinyl acetate to give n-product. X. Xu, J. Jiang, D. Liu, H. Feng CATL 352. Reduction of nitric monoxide studied by in situ modulation excitation IR spectroscopy. X. Wang, N. Maeda CATL 353. Selective oxidation of olefins to ketones over palladium supported on reduced graphene oxide. X. Peng, X. Gao CATL 354. Benzyl alcohol selective oxidative dehydrogenation over supported gold nanoparticle catalysts: A density functional theory study. Z. Wang, X. Gong CATL 355. Selective ethylene tetramerization with actived metal−organic framework MIL-100(Fe). Y. Han, Y. Zhang, X. Guang, X. Liu, G. Feng CATL 356. Bimass derived acetic acid hydrodeoxygenation over Pt-based bimetallic catalysts. Y. Zheng, S.G. Podkolzin CATL 357. Perovskite CsPbBr3 nanocrystals as efficient photocatalyst for synthesis of 1,3,5-trisubstituted pyrazoles and 2,5 diaryl-substituted pyrroles via visible light illumination. Y. Lin, Y. Sun, X. Zhu, Y. Yan CATL 358. Identifying the role of photogenerated holes in photocatalytic methanol dissociation on rutile TiO2(110). Z. Jiawei, H. Wang, P. Hu

WEDNESDAY MORNING SECTION A Renaissance Boston Waterfront Pacific Grand Ballroom Salon G

Hybrid Biological & Chemocatalytic Processes for Biomass Upgrading K. K. Ramasamy, D. Vardon, Organizers, Presiding 8:00 Introductory Remarks. 8:10 CATL 359. Active site requirements for upgrading biologically-derived platform molecules. H. Abdulrazzaq, T.J. Schwartz 8:40 CATL 360. Directed evolution of oxalate decarboxylase for the enhancement of a hybrid enzymatic and organic electrolytic cascade. V. Russell, S. Abdellaoui, S.D. Minteer 9:00 CATL 361. Atomic layer deposition with Al2O3 for enhanced Pd/TiO2 stability during biobased adipic acid production. D. Vardon, A. Settle, N. Cleveland, X. Huo, A. York, A. Devaraj, E. Kautz, K.K. Ramasamy, G. Beckham, M. Griffin, K.E. Hurst, C. Farberow, E. Tan, S. Christensen 9:20 Intermission. 9:40 CATL 362. Mechanistic understanding of C-C bond formation and O removal over Lewis acid-base pairs. H. Li, J. Sun, Y. Wang 10:10 CATL 363. Experimental and computational studies on catalytic upgrading of biochemical intermediates from biomass. J. Alegre-Requena, S. Kim, A. Settle, J. Stunkel, D. Robichaud, D. Vardon, D.K. Johnson, R. Paton 10:30 CATL 364. Mild pretreatment conditions resulting in reduced impurities, lower acidity, and high furan yields from biomass using heterogenous catalysts. J. Romo, T. Wu, J. Lucero, M.A. Carreon, S. Wettstein

SECTION B Renaissance Boston Waterfront Pacific Grand Ballroom Salon H

Fundamental Understanding of Catalysis at Interface through Computational Approach Electrochemical & Photoelectrochemical Synthesis D. Jiang, Organizer T. Taketsugu, S. R. Waldvogel, Presiding 8:00 CATL 365. Fundamental investigations of electrocatalyzed transformations of organic compounds. S.A. Akhade, M. Lee, N. Singh, U. Sanyal, O.Y. Gutiérrez, J. Lercher, V. Glezakou, R. Rousseau 8:20 CATL 366. Direct oxidative functionalization of alcohols at electrode surfaces. K. Manthiram 9:00 CATL 367. The atomistic description of the electrolyte at the electrode-electrolyte interface (EEI). W.A. Goddard, A. Fortunelli, T. Cheng 9:40 Intermission.

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10:00 CATL 368. High-potential porphyrins supported on semiconductor surfaces for photoelectrochemical applications. C.A. Schmuttenmaer, R.H. Crabtree, G.W. Brudvig, V.S. Batista 10:40 CATL 369. Carbon-based catalytic materials for energy conversion. J. Chen 11:20 CATL 370. Selective reforming of methane to CO by photoelectrochemical reactions on TiO2. D. Wang, W. Li, D. He, M. Waegele, D. Jiang, G.W. Brudvig

SECTION D Renaissance Boston Waterfront Atlantic Ballroom 2

Advanced Catalytic Materials with Well-Defined Nanostructures for Energy & Fuel Sustainability A. Orlov, Organizer D. Su, S. Zhang, Organizers, Presiding 8:00 CATL 371. Nanostructured multi-component oxide catalysts for low-temperature CO oxidation. S. Dai 8:30 CATL 372. Bimetallic catalyst with a core-shell structure for CO2 reduction. F. Jiao, W. Luc, M. Jouny 9:00 CATL 373. Promoting effects of hydrothermal treatment on catalytic performance of Pd/CeO2 for CO Oxidation. H. Jeong, H. Lee 9:20 CATL 374. Manganese promoter effects in carbonsupported copper-based ester hydrogenation catalysis. R. Beerthuis, N. Visser, J. Deeley, G. Sunley, K. De Jong, P. de Jongh 9:40 CATL 375. Green application of hydrogenation catalyst YN-1 on C4 and C5 cut. Z. Du 10:00 CATL 376. Insights for catalyst cesign: Using welldefined metal oxide nanocrystals to elucidate structureactivity relationships. P.A. Pepin, J.M. Vohs 10:20 Intermission. 10:30 CATL 377. Understanding and tuning catalytic materials using well-defined nanocrystal precursors. M. Cargnello, J. Willis, E.D. Goodman, C. Wrasman, A. Yang, F. Abild-Pedersen, S. Bare 11:00 CATL 378. Preparation of Ni@Silicalite-2 as a high stability catalyst for dry reforming of methane. Y. Lu, Y. Zhao, X. Ma, S. Wang 11:20 CATL 379. Nanotube-assembled hollow sphere nanoreactor for dimethyl oxalate hydrogenation to ethylene glycol: The morphology effect. D. Yao, Y. Wang, Y. Zhao, X. Ma 11:40 CATL 380. Dry reforming of methane over organized mesoporous alumina materials derived from EISA and MOF routes. L. Karam, J. Reboul, S. Casale, N. El Hassan, P. Massiani

SECTION E Renaissance Boston Waterfront Thompson

Water (The Greenest Solvent): Catalysis in Aqueous & Bi-Phase Systems Influence of Water on Heterogeneous Catalysts J. Faria, F. Neira Dangelo, Organizers, Presiding 8:00 Introductory Remarks. 8:05 CATL 381. Initial particle size effects on the stability of nickel catalysts in aqueous conditions. H. Bitter, T. van Haasterecht, M. Swart, K. De Jong 8:25 CATL 382. Trends in activity and stability of supported Ru during aqueous-phase hydrogenation of levulinic acid. J. Bond 8:55 CATL 383. Watching solid catalysts at work in the liquid phase. D. Ferri 9:25 CATL 384. Continuous synthesis of DMC from CO2 and methanol over CeO2 using 2-cyanopyridine as dehydrating agent: Catalyst stability and the reaction mechanism. A. Urakawa 9:55 CATL 385. Molecular simulations for calculating the free energies of adsorption and reaction in aqueous phase heterogeneous catalysis. X. Zhang, T. Xie, R.B. Getman 10:25 Intermission. 10:40 CATL 386. Understanding the role of solvent effects in the thermal and electrochemical hydrogenation of organics. S.A. Akhade, M. Lee, M. Nguyen, V. Glezakou, R. Rousseau 11:10 CATL 387. Controlling mass transport at electrocatalytic interfaces: Towards air-based water splitting devices. M.A. Modestino 11:40 CATL 388. Multicatalytic, light-driven polymerization of phenols for flocculation of wastewater impurities. G. Hafenstine, R.E. Patalano, O. Yehezkeli, K. Ma, A.P. Goodwin, J.N. Cha

SECTION F Renaissance Boston Waterfront Mediterranean

Meeting the Challenges of Heterogeneous Catalysis Controlled at Atomic Level F. Tao, Organizer W. Huang, C. Tsung, Organizers, Presiding 8:00 Introduction Remarks. 8:05 CATL 389. Novel preparation of reverse model catalyst, FeO/Pt(111), for CO oxidation and H2O dissociation. R. Paul, R.G. Reifenberger, T. Fisher, D. Zemlyanov 8:25 CATL 390. Multidimensional scaling of catalyst performance: From UHV to operating conditions. C. Reece, E. Redekop, S.G. Karakalos, R.J. Madix 8:45 CATL 391. Mimicking phosphotriesterase enzyme via engineering defects in metal-organic frameworks. One step closer to achieving more robust and reactive heterogeneous catalysts for detoxification of chemical warfare agents. M. Momeni, C.J. Cramer 9:05 CATL 392. Single-site supported metal complexes: Tunable catalytic performance with ionic liquid coatings. M. Babucci, C. Fang, A.S. Hoffman, S. Bare, B.C. Gates, A. Uzun 9:25 CATL 393. An atomic-scale study of oxygen dissociation on Ag on Cu(111). L. Cramer 9:45 CATL 394. Facile chemical approach to regio control synthesis of gold-BINOL hybrid nanostructures. P.R. Reddy 10:05 Intermission. 10:15 CATL 395. Surface structure and reactivity of Ni-Cu single-atom alloys. D. Patel, E.H. Sykes 10:35 CATL 396. From single atoms to clusters, manipulating CO2 reduction pathways on Rh catalysts. Y. Zhu, O.Y. Gutiérrez, J. Fulton, L. Kovarik, J. Szanyi, J. Lercher 10:55 CATL 397. X-ray emission spectroscopy studies of metal–organic frameworks. J.V. Lockard 11:15 CATL 398. Single-atom catalyst of platinum supported on MnO2 for catalytic decomposition of caproaldehyde at room temperature. H. Zhang, P. Zhang 11:35 CATL 399. Molecular level characterization of 1:1 chiral docking on Cu(111). A. Larson, R. Hannagan, E.H. Sykes

Catalysis for Environmental & Energy Applications Sponsored by ENVR, Cosponsored by CATL, CELL, ENFL and I&EC

WEDNESDAY AFTERNOON SECTION A Renaissance Boston Waterfront Pacific Grand Ballroom Salon G

Hybrid Biological & Chemocatalytic Processes for Biomass Upgrading K. K. Ramasamy, D. Vardon, Organizers, Presiding 1:00 CATL 400. Electrocatalytic energy upgrading of lignin to fuels and chemicals: A path to organic reaction discovery? J.E. Jackson, P. Hao, G. Klinger, Y. Zhou, E.L. Hegg, S. Christopher 1:30 CATL 401. Effects of impurities in two-Step vs. one-step hydroprocessing of algae oils. J. Kruger, E. Christensen, T. Dong, G. Chupka, P.T. Pienkos, R.L. McCormick 1:50 CATL 402. Multi-functional mixed oxide catalysis in cascade chemistry to convert ethanol to C5+ ketones. K.K. Ramasamy, M. Guo, M. Gray, S. Subramaniam 2:10 Intermission. 2:25 CATL 403. Biological valorization of aqueous waste carbon from catalytic fast pyrolysis. G. Beckham, B.A. Black, M. Franden, L.N. Jayakody, C.W. Johnson, A. Meyers 2:55 CATL 404. A kinetic analysis of selective carboxylic hydrodeoxygenation over supported Pt and Ru catalysts. J. Bond, J. Gopeesingh 3:15 CATL 405. Active surface and mechanism for propionic acid reduction over RuSn. V. Vorotnikov, T. Eaton, A. Settle, K. McKinney, E. Wagner, C. Yang, J.T. Miller, G. Beckham, D. Vardon 3:35 CATL 406. The hyper-thermophilic and catalytic mechanism of extremophile cellulase TmCel12A. P. Lian, H. Guo, J. Smith 3:55 Concluding Remarks.

SECTION B Renaissance Boston Waterfront Pacific Grand Ballroom Salon H

D. Jiang, Organizer C. T. Campbell, F. Zaera, Presiding 1:00 CATL 407. Designing heterogeneous alloy catalysts from first principles and surface science. E.H. Sykes, M. Stamatakis, M. Flytzani-Stephanopoulos, A. Michaelides, T. Thuening 1:40 CATL 408. Au-TiO2 interfaces in the catalysis of low-temperature oxidation and H2 photoproduction from water. F. Zaera 2:20 CATL 409. Eleectride-based catalysts for ammonia synthesis at mild conditions. H. Hosono 2:40 Intermission. 2:50 CATL 410. Mechanistic understanding of methanol carbonylation: Interfacing hom*ogeneous and heterogeneous catalysis via carbon supported Ir-La. A.J. Hensley, J. Zhang, I. Vincon, X. Pereira-Hernandez, D. Tranca, G. Seifert, J. McEwen, Y. Wang 3:30 CATL 411. Where computational catalysis meets experiment. C.T. Campbell, Z. Mao 4:10 CATL 412. Strong metal-support interaction (SMSI): An extension from oxide support to carbide and nitride. J. Dong, Q. Fu, X. Bao 4:50 CATL 413. Elucidating active VOx/TiO2 surfaces for lignin oxidation using model compounds. V. Vorotnikov, A. Robinson, G. Beckham

SECTION C Renaissance Boston Waterfront Atlantic Ballroom 1

Operando Spectroscopy for Catalysis J. J. Bravo-Suarez, Organizer, Presiding 1:00 CATL 414. Operando vibrational spectroscopy during selective catalytic reduction of NO with NH3 by VOx/TiO2 catalysts. I.E. Wachs, M. Zhu, J. Lai, Z. Wu 1:30 CATL 415. Operando spectroscopy: Transients, cells, hyphenation. D. Ferri 1:55 CATL 416. Space- and time-resolved operando spectroscopic studies of heterogeneous catalysts under unsteady-state operations. A. Urakawa 2:20 CATL 417. Developing a Raman-spectrokinetic approach to gain insights into the structure-reactivity relationship of supported metal oxide catalysts. C.A. Carrero, J. Moncada 2:45 CATL 418. Shining light on catalysts at work: Multi-wavelength and time-resolved operando Raman spectroscopy. C. Hess 3:10 Intermission. 3:20 CATL 419. On the genesis of early transition metal carbide and nitride supported metal catalysts. W. Wen, Z. Wang, L.T. Thompson 3:45 CATL 420. Monitoring catalyst composition during synthesis and pretreatment with in situ spectroscopy. F.E. Celik, A. Pennington, G. Tsilomelekis 4:10 CATL 421. What can operando Cu K-edge XAS tell us about the mechanism and active sites in the selective conversion of methane to methanol by Cu/Zeolites and silica or alumina-supported well-defined Cu-sites? M. Newton, A.J. Knorpp, J. Meyet, V. Sushkevich, D. Palagin, A.B. Pinar, C. Coperet, J. van Bokhoven 4:35 CATL 422. Non-Innocent Solvents, Hydrogen Transfer, Oxygen Dissociation on Nanoparticles during the Direct Synthesis of H2O2. J. Adams, N. Wilson, P. Priyadarshini, A. Chemburkar, Y. Lu, A.M. Karim, M. Neurock, D. Flaherty 5:00 CATL 423. In situ/operando spectroscopy and DFT studies of OCM catalyst electronic/molecular structure. D. Kiani, S. Sourav, I.E. Wachs, J. Baltrusaitis

SECTION D Renaissance Boston Waterfront Atlantic Ballroom 2

Advanced Catalytic Materials with Well-Defined Nanostructures for Energy & Fuel Sustainability A. Orlov, Organizer D. Su, S. Zhang, Organizers, Presiding 1:00 CATL 424. Catalytic water oxidation over graphenesupported cobalt catalysts. M. Zaheer 1:20 CATL 425. Hydrophilic-hydrophobic dual catalyst layer electrode for proton exchange membrane fuel cells under low humidity. C. Roh, J. Choi, H. Lee 1:40 CATL 426. Intermetallic core/shell L10-FePt/Pt nanoparticles for efficient oxygen reduction reaction in fuel cells. S. Sun, J. Li 2:10 CATL 427. Structural behavior of shaped alloy during electrocatalysis. C. Cui

2:40 Intermission. 3:00 CATL 428. Atomically precise metal nanoclusters for water splitting and CO2 reduction. D. Jiang 3:30 CATL 429. Materials design on highly efficient water splitting catalysis. S. Guo 4:00 CATL 430. Physical and chemical tuning of catalysts for water splitting and fuel cell electrocatalysis. H. Wang 4:30 CATL 431. Advanced nano-engineered oxygen electrocatalysts for fuel cells and batteries. Z. Chen

SECTION E Renaissance Boston Waterfront Thompson

Water (The Greenest Solvent): Catalysis in Aqueous & Bi-Phase Systems Transport & Reactions in Liquid-Solid & Gas-LiquidSolid Systems J. Faria, F. Neira Dangelo, Organizers, Presiding 1:00 Introductory Remarks. 1:05 CATL 432. Stimuli responsive partitioning in aqueous two-phase systems and opportunities for catalyst recycling. B. Schuur 1:35 CATL 433. Catalytic induced flow: Increasing production by using less catalyst. A. Visan, R.G. Lammertink 2:05 CATL 434. Towards improving reactor performance through combined monitoring and modelling of multiphase flows. K. Buist, J. Kuipers 2:35 CATL 435. Mass transfer inside porous catalyst bodies in liquid phase operation. L. Lefferts, P. Xu, R. Espinosa, S. Agarwal, F. Mugele 3:05 CATL 436. Limitations of heat and mass transfer processes in reactive gas-liquid-solid systems. M. Baltussen 3:35 Intermission. 3:50 CATL 437. Acceptorless dehydrogenative cyclization for the synthesis of heterocylces in water catalyzed by a water-soluble metal-ligand bifunctional catalyst. F. Li 4:10 CATL 438. Polyphenylene as an exceptional catalyst platform for cross coupling and hydration at water-oil interface. F.R. Wang 4:40 CATL 439. Water microdroplets catalyze chemical reactions. J. Lee, H. Nam, R.N. Zare

WEDNESDAY EVENING Catalysis for Environmental & Energy Applications Sponsored by ENVR, Cosponsored by CATL

THURSDAY MORNING SECTION A Renaissance Boston Waterfront Pacific Grand Ballroom Salon G

General Catalysis K. K. Ramasamy, D. E. Resasco, F. Tao, Organizers K. Lin, J. A. Lopez-Ruiz, Presiding 8:00 CATL 440. Heterogeneously catalyzed hydration of alkynes by tin-molybdenum mixed oxide. D. Rathnayake, S.L. Suib 8:20 CATL 441. “Green” route for the alkylation of cyclohexene using mesoporous molybdenum oxide. W. Thalgaspitiya, T. Premalal, S.L. Suib 8:40 CATL 442. Pathways mediating byproduct formulation in partial oxidation of acrolein to acrylic acid. J.H. Miller, A. Bhan 9:00 CATL 443. Investigating the acid site distribution of a new generation methyl chloride synthesis catalyst. D. Lennon, J. Winfield 9:20 CATL 444. In situ DRIFTS investigation of the interactions between methanol and ceria nanoparticles as a function of temperature. P. Huttunen, S. Martell, M.C. Foster 9:40 Intermission. 10:10 CATL 445. Evaluating the positive role of water on solid acid catalyzed reactions. S. Crossley 10:50 CATL 446. Photoreactions of monolayer MoS2 in ambient conditions. B. Birmingham, J. Yuan, M. Filez, D. Fu, J. Hu, M.O. Scully, J. Lou, B.M. Weckhuysen, Z. Zhang 11:10 CATL 447. NiAu single atom alloys for the for the oxidative coupling of methacrolein with methanol. A. Trimpalis, G. Giannakakis, M. Flytzani-Stephanopoulos 11:30 CATL 448. Benzylamine hom*o coupling by ordered mesoporous nano-cobalt oxide: Relationship to the mammalian monoamine oxidase. T. Premalal, W. Thalgaspitiya, S.L. Suib 11:50 CATL 449. In operando FTIR spectroscopy of challenging to monitor catalytic reactions. J. Speed

SECTION B Renaissance Boston Waterfront Pacific Grand Ballroom Salon H

Fundamental Understanding of Catalysis at Interface through Computational Approach Novel Materials & Interfaces D. Jiang, Organizer, Presiding A. Vojvodic, Presiding 8:00 CATL 450. Designing metal and 2D-material interfaces for active and stable single atom catalysts. V. Fung, Z. Wu, D. Jiang 8:20 CATL 451. Fundamental understanding of optimal interlayer spacing of MoS2 catalysts for hydrogen evolution reaction. Q. Jin, N. Liu, B. Chen, D. Mei 8:50 CATL 452. Influence of surface adsorbate interactions on the reaction kinetics of methanol synthesis from CO2 hydrogenation. P. Wu, B. Yang 9:10 CATL 453. Reaction mechanisms of dry reforming of methane on nickel. W. Lin, G.C. Schatz 9:30 Intermission. 9:40 CATL 454. Tailoring interface and surface in metalsupport microenvironment for catalysis. H. Zhu, Z. Wu, S. Dai 10:15 CATL 455. C–H bond activation at ceria-supported vanadia clusters. T. Kropp, J.A. Paier, J. Sauer 10:35 CATL 456. Free energy surfaces for the Volmer reaction. Y. Lam, Z. Goldsmith, A. Soudackov, S. HammesSchiffer 11:05 CATL 457. Computational studies of alkanol catalysis on SrTiO3 perovskite surfaces. R.C. Chapleski, S. Roy 11:25 CATL 458. H2 adsorption on Pd/Ag(111) studied with STM, XPS, and DFT. M. van Spronsen, K. Duanmu, P. Sautet, C.M. Friend 11:45 CATL 459. Efficient increase in CO oxidation activity of Pt catalysts stabilized at CeOx-TiO2 interface: Combinatorial study of theory and experiment. M. Yoo, H. Ha, S. Lee, J. Choi, E. Kang, C. Kim, W. Jung, H. Kim 12:05 CATL 460. High-surface-area, intelligent Ni catalysts prepared by atomic layer deposition. C. Lin

SECTION C Renaissance Boston Waterfront Atlantic Ballroom 1

Operando Spectroscopy for Catalysis J. J. Bravo-Suarez, Organizer, Presiding 8:00 CATL 461. Time-resolved XAFS spectroscopy uncovers multiple roles of the Ce4+/Ce3+ redox couple in the mechanism of low temperature CO oxidation. O.V. Safonova, R. Kopelent, J. van Bokhoven, M. Nachtegaal 8:25 CATL 462. Infrared absorption spectroscopy in operando studies of catalytic reactions. F. Zaera 8:50 CATL 463. Carbocation chemistry on solid acid catalysts observed by in situ spectroscopy. F. Jentoft 9:15 CATL 464. CO adsorption and reaction on catalytic surfaces: examples of reaction intermediates, spectator species and alloy segregation triggered by CO dissociation. F.C. Meunier, Y. Schuurman, N. Guilhaume, L. Cardenas 9:40 CATL 465. In-situ/operando study of ceria supported Ru and Ru alloys: Identifying the catalytic active structure for methane dry reforming. Z. Liu, S.D. Senanayake 10:05 Intermission. 10:15 CATL 466. Kinetic analysis of methane dry reforming on Rh in operando-Raman annular reactor. G. Moroni, A. Donazzi, M. Maestri 10:40 CATL 467. In situ ATR-IR studies in aqueous phase reforming of hydroxyacetone on Pt catalysts. K. Koichumanova, R. Cortese, L. Lefferts 11:05 CATL 468. Operando UV-visible spectroscopy of high temperature water gas shift catalysts. B. Hallac, J.C. Brown, E. Stavitski, R.G. Harrison, M. Argyle 11:30 CATL 469. Mapping the reverse water-gas shift reaction network over oxide-based catalysts using operando SSITKA coupled with time-resolved IR spectroscopy. N.C. Nelson, M. Nguyen, V. Glezakou, R. Rousseau, J. Szanyi 11:55 CATL 470. Operando spectroscopy of polymer electrolyte fuel cells. E.S. Smotkin, J.H. Doan, N. Loupe, J. Goulart

SECTION D Renaissance Boston Waterfront Atlantic Ballroom 2

Advanced Catalytic Materials with Well-Defined Nanostructures for Energy & Fuel Sustainability A. Orlov, Organizer D. Su, S. Zhang, Organizers, Presiding

113

TECHNICAL PROGRAM

Fundamental Understanding of Catalysis at Interface through Computational Approach Interfaces for Thermal Catalysis

TECHNICAL PROGRAM

CATL/CELL 8:00 CATL 471. Advanced architectures of nanostructured electrocatalysts guided by well-defined surface studies. N. Becknell, P. Papa Lopes, H. Lv, E. Coleman, D. Strmcnik, N.M. Markovic, V. Stamenkovic 8:30 CATL 472. Stabilizing M (Fe, Co) by intermetallic L10-MPt and enhanced oxygen reduction reaction catalysis in core/shell L10-MPt/Pt for fuel cells. J. Li, S. Sun 8:50 CATL 473. Electrocatalysts from surface atom engineering via bulk synthesis. Y. Shao 9:20 CATL 474. Composition-tunable PtPdCu nanoparticle catalysts with high activity for oxygen reduction reaction. Z. Wu, E. Hopkins, K. Park, J. Wen, J. Wang, J. Luo, V. Petkov, L. Wang, C. Zhong 9:40 CATL 475. Fully ordered Pt3Co intermetallic nanoparticles derived from metal-organic framework for oxygen reduction. G. Wu 10:10 Intermission. 10:20 CATL 476. Advanced electrocatalysts from nanostructured pyrite-type materials. M. Gao 10:50 CATL 477. Low overpotential for electrochemically reducing CO2 to CO on nitrogen-doped graphene quantum dots-wrapped single crystalline gold nanoparticles. J. Fu, J. Zhu 11:10 CATL 478. Non-noble-metal-based electrocatalysts for water electrolysis. S. Chen 11:40 CATL 479. Electrocatalytic hydrodechlorination reaction on Pd-based materials and the related environmental applications. G. Jiang

9:20 CATL 493. Highly efficient quinone-catalyzed aerobic dehydrogenation of N-substituted indolines to indoles. B. Li, S.S. Stahl, A. Wendlandt 9:40 CATL 494. Oxidase catalysis via aerobically generated hypervalent iodine intermediates. D.C. Powers 10:00 Intermission. 10:10 CATL 495. Effect of peptide/protein purity on biotemplated nanoparticle synthesis: Morphologies, properties, and ultimate cost. A. Mosleh, R. Tejada, L.F. Greenlee, N. Bedford, M. Beyzavi, R. Beitle 10:30 CATL 496. Rational design of mimic multi-enzyme systems in hierarchically porous biomimetic metal-organic frameworks. X. Liu, W. Qi, Y. Wang 10:50 CATL 497. Photo-induced polymerization and reconfigurable assembly of multifunctional ferrocenetyrosine: Applications in mimic enzyme and energy storagy. X. Yang, Y. Wang, W. Qi 11:10 CATL 498. Cleaning up biocatalysis: A modular heterogeneous platform for H2-driven enzymatic reactions. J. Rowbotham, H. Reeve, O. Lenz, K. Vincent 11:30 CATL 499. Activation mode and origin of selectivity in chiral phosphoric acid-catalyzed oxacycle formation by intramolecular oxetane desymmetrizations. R. Maji, S.E. Wheeler 11:50 CATL 500. Carbon dioxide mediated C-H activation for the functionalization of amines: A traceless directing group strategy. M. Kapoor, M. Young, P.C. Thakuri

SECTION E

THURSDAY AFTERNOON

Renaissance Boston Waterfront Pacific Grand Ballroom Salon F

SECTION D

Water (The Greenest Solvent): Catalysis in Aqueous & Bi-Phase Systems Tailoring Catalysts for Operating in Liquid Environments

Advanced Catalytic Materials with Well-Defined Nanostructures for Energy & Fuel Sustainability

Renaissance Boston Waterfront Atlantic Ballroom 2

Renaissance Boston Waterfront Brewster

A. Orlov, Organizer D. Su, S. Zhang, Organizers, Presiding 1:00 CATL 501. Stabilization of catalytic surfaces using bimetallic core-shell structures. W. Diao, A. Wong, J. Tengco, J.R. Regalbuto, J.R. Monnier 1:20 CATL 502. Metal-organic framework-derived highly nitrogen doped carbon support for palladium catalyzed deoxygenation at room temperature. S. Dutta, B. Saha, D.G. Vlachos 1:40 CATL 503. Platinum-silver bimetallic nanostructures for high-performing catalysis. H. Yang 2:10 CATL 504. Production of hydrogen gas from water under mild hydrothermal conditions using nanostructured cobalt. A. Jawhari, D.K. Ryan 2:30 Intermission. 2:40 CATL 505. In situ investigation of nucleation, growth, and corrosion behaviors of core-shell electocatalysts. H. Shan, Y. Ma, W. Chen, T. Deng, J. Wu 3:10 CATL 506. Nanocubic Cu catalysts for selective C–C coupling in electrochemical CO2 reduction. K. Jiang, H. Wang 3:30 CATL 507. Embedding enzymes into metal-organic frameworks via a de novo approach. C. Tsung 4:00 CATL 508. Polycarbonate assisted bi-walled multiscale cathode for high-performance solid oxide fuel cells (SOFCs) at 500 °C. S. Shin, J. Kil, J. Choi, C. Lee, H. Kim, J. Son, H. Shin, M. Choi 4:20 CATL 509. Nanosized zeolite Y synthesis using novel heterocyclic amines as structural directing agents. V. Tzitzios, M. Katsiotis, T. Kranidis, T. Anjana, S. Al Hassan 4:40 CATL 510. MOF nanocrystals confined within mesoporous materials (HyperMOFs) as novel platform for developing well-defined nanostructured catalysts. I. Luz, M. Soukri, M.A. Lail

General Catalysis

SECTION E

K. K. Ramasamy, D. E. Resasco, F. Tao, Organizers J. Kruger, D. Vardon, V. Vorotnikov, Presiding 8:00 CATL 489. Renewable isoprene by sequential hydrogenation of itaconic acid and dehydra-decyclization of 3-methyl-tetrahydrofuran. O. Abdelrahman, P.J. Dauenhauer 8:20 CATL 490. In-situ synthesized SAPO-34@kaolin composite catalyst and its application in methanol to olefins. L. Zhang 8:40 CATL 491. Hydrophobic Ce/SBA-15 catalyst for the direct synthesis of dimethyl carbonate from CO2 and methanol. Y. Pu 9:00 CATL 492. Mesoporous manganese doped cobalt oxide catalysts for selective aerobic oxidation of 5-hydroxymethylfurfural to 2,5-diformylfuran. S. Biswas

Renaissance Boston Waterfront Pacific Grand Ballroom Salon F

J. Faria, F. Neira Dangelo, Organizers, Presiding 8:00 CATL 480. From biomass to chemicals: Swimming lessons for heterogeneous catalysts. C. Mondelli, G.M. Lari, P.Y. Dapsens, J. Perez-Ramirez 8:30 CATL 481. Kinetics of catalytic reduction of nitrates in water streams. Effects of catalyst deactivation and ammonia adsorption. A. Monzon, E. Romeo, P. Tarifa 9:00 CATL 482. Designing supported bimetallic catalysts for selective oxidation and selective reduction reactions. S. Meenakshisundaram, J. Edwards, Q. He, G. Hutchings 9:40 CATL 483. Colloidal Pd nanoparticles with hydrophobic catalytic sites: Biphasic hydrogenation of olefins in water. C. Garcia, S. Poudel, D. Ortega, Y. Shon 10:00 CATL 484. Hydrogenation of furanics in an aqueous phase: A combined experimental and computational study. R.M. Bababrik, Z. Zhao, D.E. Resasco, B. Wang 10:30 CATL 485. Catalytic processes for hemicelluloses valorisation in batch and continuous modes. L. Vilcocq, Y. Cheah, H. Oliva, E. Rebmann, P. Fongarland 11:00 CATL 486. Stabilization of active Lewis acid metal species through intrapore condensation of alkene reactants during dimerization reactions. I. Aguirrezabal, I. Luz, M. Soukri, M.A. Lail, M.A. Ortuno, N. Lopez, P. Arias 11:20 CATL 487. Reactions in liquid environments - 1. J. Faria 11:40 CATL 488. Consecutive condensations of light oxygenates in aqueous phase over Tin-Niobium mixed oxides acid catalysts. M.E. Domine, A. Fernández-Arroyo, J.M. López-Nieto

SECTION F

114

General Catalysis K. K. Ramasamy, D. E. Resasco, F. Tao, Organizers J. Kruger, D. Vardon, V. Vorotnikov, Presiding 1:00 CATL 511. Regioselectivity of epoxide ring opening with alcohols using heterogeneous Lewis acid catalysts. N.A. Brunelli, N. Deshpande, A. Parulkar, R. Joshi, B. Diep 1:20 CATL 512. Effect of soft template on the synthesis of manganese oxide nano-materials and thier catalytic properties for the selective oxidation of toluene. A. Altaf, A. Badshah 1:40 CATL 513. Molecular engineering of multifunctional monolayers for the cooperative aerobic oxidation of alcohols. A.E. Fernandes, P. Chandra, A.M. Jonas

2:00 CATL 514. Hydrothermal stability of core-shell Pd@ Ce0.5Zr0.5O2/Al2O3 catalyst for automobile three-way reaction. L. Li 2:20 CATL 515. Fabrication of spinel-type PdxCo3-xO4 active sites on 3D ordered meso-macroporous Ce-Zr-O2 with enhanced catalytic activity for soot oxidation. J. Xiong, Y. Wei, J. Liu 2:40 CATL 516. Catalytic behaviors of oxide interface in catalytic oxidation. K. Li 3:00 Intermission. 3:10 CATL 517. On the way to functionalize CO2. A. Poater 3:30 CATL 518. Zirconium hydroxide-based sorptive and catalytic textiles. E.E. Anderson, N. Dugan, N. Hoffman, N. Pomerantz, J. Rossin, R. Rossin, P. Yip 3:50 CATL 519. Enantioselective fluorescent recognition of chiral secondary amino alcohols in the fluorous phase: Leading to high-throughput chiral catalyst screening. X. Wu, J. Marks, C. Wang, C. Zeng, L. Pu 4:10 CATL 520. Recyclable stereoselective heterogeneous secondary amine organocatalysts for enal activation. M. Meazza, R. Rios-Torres, R. Raja 4:30 CATL 521. ReaxFF studies on platinum catalyzed decomposition of space propulsion fuels. D. Depew, J. Wang, S.D. Chambreau, G.L. Vaghjiani 4:50 CATL 522. Self-assembled Salen-Co(III) catalyst through aromatic donor-acceptor interaction and its application in hydrolytic kinetic resolution of epoxides. Y. Liu

CELL

Division of Cellulose and Renewable Materials W. Thielemans, Program Chair

SUNDAY MORNING SECTION A Aloft Boston Seaport Mahoney Ex:Change

Synergistic Approaches to Lignocellulosic Biomass Research Cosponsored by CARB, ENVR and POLY C. Cai, M. Dean Smith, Organizers L. Petridis, Presiding 8:00 Introductory Remarks. 8:10 CELL 1. Experimental-computational studies on catalytic oxidation of lignin. V.N. Nziko, R. Key, S. Alam, A. Ivanov, J.J. Bozell, J.M. Parks, A. Rudie, T.J. Elder 8:40 CELL 2. Understanding cellulose mechanical properties through imaging, manipulation, and molecular simulation. M.F. Crowley, P.N. Ciesielski, R. Wagner, V.S. Bharadwaj, J. Kilgore, M.E. Himmel 9:10 CELL 3. Binding affinity dependence of lignin-cellulose complexes on cellulose faces and lignin composition. J.V. Vermaas, G. Beckham, M.F. Crowley 9:40 CELL 4. Integrating molecular dynamics, quantum mechanics and solid-state NMR to probe the structure of cellulose in planta. D. Oehme, H. Yang, M. Hong, J.D. Kubicki 10:10 Intermission. 10:30 CELL 5. Modification of lignin and its incorporation into polymers and composites for sustainable building technologies. M. Karunarathna, M.K. Lauer, T. Thiounn, A.G. Tennyson, R.C. Smith 11:00 CELL 6. Diamond-anvil cell spectroscopic studies of the hydrothermal gasification of biomaterials. I.S. Butler, J. Kozinski, M. Thomas, S. Nanda, A.K. Dalai, Z. Fang 11:30 CELL 7. Real-time and online monitoring of biomass consumption processes using FTIR spectroscopy. J. Speed

Excellence in Undergraduate Research in Glycoscience Sponsored by CARB, Cosponsored by CELL

Catalysis for Environmental & Energy Applications Sponsored by ENVR, Cosponsored by CATL, CELL, ENFL and I&EC

SECTION A Aloft Boston Seaport Mahoney Ex:Change

Synergistic Approaches to Lignocellulosic Biomass Research Cosponsored by CARB, ENVR and POLY C. Cai, L. Petridis, Organizers M. Dean Smith, Presiding 1:30 Introductory remarks. 1:35 CELL 8. Molecular-level driving forces in lignocellulosic biomass deconstruction. J. Smith 2:05 CELL 9. In-situ small-angle neutron scattering investigation of cellulose dissolution. S. Chundawat, L.d. Sousa, S. Pingali, H.M. O’Neill 2:35 CELL 10. Combining deuterium-labeling and neutron scattering to gain molecular-level insights relevant to biomass deconstruction. H.M. O’Neill, R. Shah, S. Pingali, B.R. Evans, L. Petridis, D. Sawada, V. Urban, J. Smith, P. Langan, B.H. Davison 3:05 CELL 11. Fractionation of lignocellulosic biomass and the relationship between the lignin structure and its suitability for catalytic valorization. P.J. Deuss, I. Hita, D. Zijlstra, A. de Santi, K. Barta, E. Heeres 3:35 Intermission. 3:45 CELL 12. Biodiesel as a green solvent to improve the dilute acid pretreatment of lignocellulosic biomass. A. Muhammad Ajaz, A. Umer, E. Ahmed Adil 4:15 CELL 13. Real-time visualization of biomass deconstruction during various thermochemical reactions. S. Pingali, H.M. O’Neill, L. Petridis, C. Cai, V. Urban, C. Wyman, A. Ragauskas, J. Smith, B.H. Davison 4:45 CELL 14. Understanding lignocellulose dissolution with atomistic simulations. B. Mostofian 5:15 Concluding Remarks and Discussion.

Structures & Functions of Glycans Sponsored by CARB, Cosponsored by ANYL, BIOL, CELL, MEDI and ORGN

SUNDAY EVENING SECTION A Boston Convention & Exhibition Center Exhibit Hall B2/C

General Posters W. Thielemans, Organizer 7:00 – 9:00 CELL 15. Mechanochemical functionalization of polymers with solid phosphorylating agents and synthesis of flameretardant cellulose nanocrystals. B. Fiss, L. Hatherly, R. Stein, T. Friscic, A.H. Moores CELL 16. Effect of epoxidized cardanol on poly(vinyl chloride) as secondary plasticizer. J. Chen, K. Li CELL 17. Impurities in cellulose nanocrystals and their retardation effects in the hydration of Portland cement pastes. F.J. Montes, R.A. Chowdhury, M. Mavlan, J.P. Youngblood CELL 18. Extraction of nanocellulose from a unique grass spinifex via different methods and it’s application in water purification. R. Joshi, B.S. Hsiao CELL 19. Effect of source and purity of cellulose pulp on the yield and properties of cellulose nanocrystals extracted from forest biomass. G. Kandhola, A. Djioleu, K. Rajan, B.A. Babst, W.L. Headlee, D.J. Carrier, J. Kim CELL 20. Gram-scale synthesis of single-crystalline graphene quantum dots derived from lignin biomass. Z. Ding, X. Wang, R. Sun CELL 21. Fully water-soluble and biodegradable highperformance transient sensors on a low-cost, ultrathin galactomannan substrate. Z. Cheng, N. Yi, H. Zhu

Diet, Health & Gut Microbiome Sponsored by AGFD, Cosponsored by AGRO, BIOL, CARB and CELL

General Posters Sponsored by CARB, Cosponsored by CELL

MONDAY MORNING SECTION A Aloft Boston Seaport Mahoney Ex:Change

Rational Design of Multifunctional RenewableResourced Materials CNC/CNF Nanocellulose Composites Cosponsored by CARB, ENVR and POLY A. Albertsson, S. Percec, Organizers U. Edlund, S. Percec, Presiding 8:00 Introductory Remarks. 8:05 CELL 22. Understanding and modulating surface interactions at cellulose nanocrystal surfaces. S. Lombardo, W. Thielemans 8:35 CELL 23. Preparation of interpenetrating polymer networks from natural rubber and polysaccharide. P. Yu, H. He, Y. Luo, D. Jia, A. Dufresne 9:05 CELL 24. Preparation, characterization and utilization of low density networks from cellulose nanofibrils. L. Wagberg 9:35 CELL 25. Advanced TEMPO-mediated oxidation of cellulose: Preparation of TEMPO-CNCs and layer-bylayer peeling of surface cellulose molecules on cellulose microfibrils. A. Isogai 10:05 Intermission. 10:15 CELL 26. Biobased polymers for the development of structure and functions: from bio-fabrication to arts and design. B. Tardy, J. Lehtonen, L. Greca, N. Yau, B. Mattos, J. Beidler, O.J. Rojas 10:45 CELL 27. Engineered polysaccharide materials from biorefining of terrestrial and marine biomass. U. Edlund, A. Svärd, M. Sterner, N. Wahlström 11:15 CELL 28. Super gas barrier and flame retardant behavior of clay/cellulose nanofibril multilayer thin films. S. Qin, M. Pour, S. Lazar, Y. Song, J. Gerringer, L. Wagberg, J.C. Grunlan 11:35 CELL 29. Cage-like cellulose nanofiber-based microcapsules for electrochemical and biosensor applications. T. Paulraj, G.A. Crespo, A. Svagan 11:55 Concluding Remarks.

Structures & Functions of Glycans Sponsored by CARB, Cosponsored by ANYL, BIOL, CELL, MEDI and ORGN

MONDAY AFTERNOON SECTION A Aloft Boston Seaport Mahoney Ex:Change

Rational Design of Multifunctional RenewableResourced Materials Synthesis of Renewable Materials Cosponsored by CARB, ENVR and POLY A. Albertsson, S. Percec, Organizers A. M. Kasko, M. K. Osterberg, Presiding 1:00 Introductory Remarks. 1:05 CELL 30. Selective modification of polysaccharides: Towards controlled and useful architectures. K.J. Edgar, J. Chen, B.L. Nichols, C.E. Frazier, A. Norris 1:35 CELL 31. Synthesis and physical properties of polysaccharide linear and branched ester derivatives. T. Iwata 2:05 CELL 32. Novel applications of lignin: Spatially confined lignin nanospheres for biocatalytic ester synthesis in aqueous media. M.H. Sipponen, M. Farooq, M.K. Osterberg 2:35 CELL 33. Aromatic-aliphatic poly(ester-amides) and poly(ether-amides) synthesized from monolignol-based precursors. B. Upton, R. Foley, A.M. Kasko 3:05 Intermission. 3:15 CELL 34. Design of biodegradable cellulosic nanomaterials combining mechanical strength and optical transmittance. L. Berglund, X. Yang 3:45 CELL 35. Closed cycle production of colloidal lignin particles and their functionalization with silver for antimicrobial applications. K. Lintinen, M.K. Osterberg, M. Kostiainen 4:15 CELL 36. Application of cellulose nanofibers from oil palm empty fruit bunches (OPEFBs). F. Fahma, A. Takemura 4:35 CELL 37. 3D-printable nanocellulose/alginate emulsion gels containing poly(lactic acid). S. Huan, R. Ajdary, V. Klar, L. Bai, O.J. Rojas 4:55 Concluding Remarks.

Structures & Functions of Glycans Sponsored by CARB, Cosponsored by ANYL, BIOL, CELL, MEDI and ORGN

Thermochemical & Biochemical Conversions of Biomass to Biofuels & Biomaterials for Energy & Environmental Applications Thermochemical & Biochemical Processes Sponsored by ENVR, Cosponsored by CATL, CELL, ENFL and I&EC

MONDAY EVENING SECTION A Boston Convention & Exhibition Center Exhibit Hall B2/C

Sci-Mix W. Thielemans, Organizer 8:00 – 10:00 5, 15-16, 18-21, 28, 37. See previous listings. 44, 52, 57-58, 61, 63, 67-68, 72-73, 75. See subsequent listings.

TUESDAY MORNING SECTION A Aloft Boston Seaport Mahoney Ex:Change

Rational Design of Multifunctional RenewableResourced Materials Nanoparticle Structures & Properties Cosponsored by CARB, ENVR and POLY S. Percec, Organizer A. Albertsson, Organizer, Presiding K. Odelius, Presiding 8:00 Introductory Remarks. 8:05 CELL 38. Programming biological membrane mimics with sequence-defined Janus glycodendrimers derived from natural phenolic acids. V. Percec 8:35 CELL 39. Renewable, degradable, and high-performing aliphatic polyester elastomers. M.A. Hillmyer 9:05 CELL 40. Design of renewable polymeric materials through ring-opening reactions. K. Odelius 9:35 CELL 41. Polymer nanostructures for bioapplications: From stem cells enrichment to drug delivery. M. Monteiro 10:05 Intermission. 10:15 CELL 42. Chain extended and crosslinked bio-based polyesters, polycarbonates and polyamides. J. Seppala 10:45 CELL 43. Ring opening copolymerization of polylactone and poly(propylene fumarate) block copolymers for use in medical applications. S.R. Petersen, J.A. Wilson, M. Becker 11:15 CELL 44. Tetra-functional furan-based epoxy-amine thermosetting systems with superior characteristics. X. Chu, S.K. Yadav, J. Vergara, J. La Scala, G.R. Palmese 11:35 CELL 45. In situ preparation and properties of graphene-reinforced biobased unsaturated polyester nanocomposites. C. Liu, Y. Hu, Y. Zhou 11:55 Concluding Remarks.

Enzymes in Glycoscience Sponsored by CARB, Cosponsored by CELL

Glycoprotein & Carbohydrate-Based Drugs for Human Health Sponsored by CARB, Cosponsored by CELL

Thermochemical & Biochemical Conversions of Biomass to Biofuels & Biomaterials for Energy & Environmental Applications Hydrogen, Biofuels & Biomass Upgrading Sponsored by ENVR, Cosponsored by CATL, CELL, ENFL and I&EC

TUESDAY AFTERNOON SECTION A Aloft Boston Seaport Mahoney Ex:Change

Rational Design of Multifunctional RenewableResourced Materials New Applications Cosponsored by CARB, ENVR and POLY A. Albertsson, Organizer S. Percec, Organizer, Presiding M. Hakkarainen, Presiding 1:30 Introductory Remarks.

115

TECHNICAL PROGRAM

SUNDAY AFTERNOON

TECHNICAL PROGRAM

CELL/CHED 1:35 CELL 46. Carbonized biopolymers as building blocks in renewable materials. M. Hakkarainen 2:05 CELL 47. Microbial polyhydroxyalkanoates with diverse structures as multifunctional materials. G. Chen 2:35 CELL 48. Injectable and self-healing polysaccharide hydrogels via boronate ester bonds: Relationships between the binding mode of boronic acids to saccharide moieties and the macroscopic mechanical properties. R. Auzely-Velty 3:05 CELL 49. Chemo-enzymatic synthesis of silk and elastin-like polypeptides as renewable materials. K. Numata 3:35 Intermission. 3:50 CELL 50. Developing sustainable printing inks using biochar as a substitute for carbon black. S. Lauro, Y. Goh, D. Parulski-Seager, S. Williams, S. Barber, T. Trabold 4:10 CELL 51. Biomass-derived nitrogen self-doped porous carbon for high performance supercapacitors. F. Shen 4:30 CELL 52. Revealing the dynamic formation process and mechanism of morphology-controlled hollow structured carbon particles: From bowl to sphere. X. Liu, X. Zhang 4:50 CELL 53. Mechanical properties and highly ordered structure analysis of curdlan propionate and its melt spun fiber. T. Kabe, T. Iwata 5:10 Concluding remarks.

Enzymes in Glycoscience Sponsored by CARB, Cosponsored by CELL

Glycoprotein & Carbohydrate-Based Drugs for Human Health Sponsored by CARB, Cosponsored by CELL

Thermochemical & Biochemical Conversions of Biomass to Biofuels & Biomaterials for Energy & Environmental Applications Biochars & Renewable Carbons Sponsored by ENVR, Cosponsored by CATL, CELL, ENFL and I&EC

WEDNESDAY MORNING SECTION A Aloft Boston Seaport Mahoney Ex:Change

Functional Materials from Biopolymer Self-Assembly & Self-Organization Cosponsored by CARB, COLL, ENVR and POLY M. Anyfantakis, V. A. Davis, B. Frka-Petesic, J. Lagerwall, Y. Ogawa, Organizers S. Vignolini, Organizer, Presiding 8:00 Introductory Remarks. 8:05 CELL 54. Anisotropic diffusion and phase behaviour of cellulose nanocrystal suspensions. J. Van Rie, A. Gençer, S. Lombardo, C. Schütz, K. Kang, W. Thielemans 8:30 CELL 55. Orientation relaxation dynamics of cellulose nanocrystal dispersions. M. Pospisil, P. Saha, M.M. Noor, V.A. Davis, M.J. Green 8:55 CELL 56. Using Rheo-SANS and Rheo-Optics to understand the shear response of cellulose nanocrystal dispersions. P. Saha, M.M. Noor, K.M. Weigandt, M.J. Green, V.A. Davis 9:20 CELL 57. Influence of hydrodynamic flows on the formation of cellulose nanocrystal films from sessile drops drying at different humidities. J. Lagerwall, B. Dupas, M. Anyfantakis 9:45 Intermission. 10:00 CELL 58. Investigation of crystalline domains alignment in the cellulose nanocrystal films with an improved birefringence technique. R.A. Chowdhury, J.P. Youngblood 10:25 CELL 59. Fractionation of cellulose nanocrystals enhances liquid crystal ordering without promoting gelation. C. Honorato, C. Lehr, C. Schütz, R. Sanctuary, M. Osipov, J. Baller, J. Lagerwall 10:50 CELL 60. On the effect of electrolytes on the tunable mesomorphic behavior of cellulose nanocrystal films. S. Jin, R.J. Spontak 11:15 CELL 61. Hygroscopic swelling determination of cellulose nanocrystal (CNC) films by polarized light microscopy digital image correlation. S. Shrestha, J. Diaz, S. Ghanbari, J.P. Youngblood 11:40 Concluding Remarks.

New Directions in Carbohydrate Synthesis Sponsored by CARB, Cosponsored by CELL

Catalysis for Environmental & Energy Applications Sponsored by ENVR, Cosponsored by CATL, CELL, ENFL and I&EC

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Diet, Health & Gut Microbiome Sponsored by AGFD, Cosponsored by AGRO, BIOL, CARB and CELL

WEDNESDAY AFTERNOON SECTION A Aloft Boston Seaport Mahoney Ex:Change

Functional Materials from Biopolymer Self-Assembly & Self-Organization Cosponsored by CARB, COLL, ENVR and POLY M. Anyfantakis, V. A. Davis, B. Frka-Petesic, Y. Ogawa, S. Vignolini, Organizers J. Lagerwall, Organizer, Presiding 1:30 Introductory Remarks. 1:35 CELL 62. Bio-inspired photonics: From nature to applications. S. Vignolini 2:00 CELL 63. Flexible photonic materials based on cellulose nanocrystals with different morphologies. V. Korolovych, R. Geryak, V. Cherpak, D. Nepal, A. Ng, R. Xiong, T. Bunning, V.V. Tsukruk 2:25 CELL 64. Tuning chiral nematic pitch of biosourced photonic films via electrostatic repulsion. Z. Cheng, Y. Ma, H. Zhu 2:50 CELL 65. Coassembly of cellulose nanocrystals and latex nanospheres in suspensions and in stratified films. E. Kumacheva, M. Mitov, L. Bergstrom, H.H. Wensink 3:15 Intermission. 3:30 CELL 66. Nanocellulose-based self-assembled materials: In-situ SAXS studies, processing and properties. L. Bergstrom 3:55 CELL 67. Critical discussion of electromechanical coupling properties of cellulose. I. Chae, Z. Ounaies, S.H. Kim 4:20 CELL 68. Roll-to-roll fabrication of anisotropic cellulose nanocrystal coatings for packaging application. R.A. Chowdhury, J.P. Youngblood, C. Clarkson 4:45 CELL 69. Surface-modified conducting chiral nematic mesoporous cellulose/polypyrrole composite films. E. Lizundia, T. Nguyen, J. Vilas, W.Y. Hamad, M.J. MacLachlan 5:10 Concluding Remarks.

New Directions in Carbohydrate Synthesis Sponsored by CARB, Cosponsored by CELL

Diet, Health & Gut Microbiome Sponsored by AGFD, Cosponsored by AGRO, BIOL, CARB and CELL

THURSDAY MORNING SECTION A Aloft Boston Seaport Mahoney Ex:Change

Functional Materials from Biopolymer Self-Assembly & Self-Organization Cosponsored by CARB, COLL, ENVR and POLY M. Anyfantakis, B. Frka-Petesic, J. Lagerwall, Y. Ogawa, S. Vignolini, Organizers V. A. Davis, Organizer, Presiding 8:00 Introductory Remarks. 8:05 CELL 70. Connecting micro- and mesoscale chirality in nematic fluids: Insights from simple models. H.H. Wensink, S. Ruzicka, L.M. Anda, C. Ferreiro-Córdova 8:30 CELL 71. Broadband reflectors, multiwavelength mirrors, patterned polarizers: The shining world of beetles. M. Mitov 8:55 CELL 72. Superhydrophilic wrinkle-free cotton fabrics via nanofluid treatment. L. Lao, L. Fu, G. Qi, E.P. Giannelis, J. Fan 9:20 CELL 73. Highly proton conductive nitro-oxidized cellulose nanopaper for polymer electrolyte membrane (PEM) fuel cell. S.K. Sharma, P.R. Sharma, H. Chen, B.S. Hsiao 9:45 Intermission. 10:00 CELL 74. Thermally responsive bio-polymer flexible hydrogels as solid state electrolyte for supercapacitior. H. Hailong, M. Xu 10:25 CELL 75. Efficient removal of arsenic from water using regenerated microfibrillated cellulose supported zinc oxide/hydroxide nanoparticles. P.R. Sharma, S.K. Sharma, R. Antoine, B.S. Hsiao 10:50 CELL 76. New organosolv lignin for carbon fiber application. T. Stevanovic Janezic, G. Koumba 11:15 CELL 77. Cellulose nanocrystals in organic electronics. W.Y. Hamad 11:40 Discussion and Concluding Remarks.

CHED

Division of Chemical Education A. Marsh, D. Bromfield-Lee and P. Daubenmire, Program Chairs

SUNDAY MORNING SECTION A Seaport World Trade Center Waterfront Ballroom 1/2

Chemistry Teachers Day Program Cosponsored by PROF S. C. Rukes, Organizer, Presiding A. N. Serkin, Presiding 8:00 Registration. 8:30 Introductory Remarks. 8:35 CHED 1. Chemistry science investigation: Dognapping. A workshop to inspire STEM students. T.J. Boyle, B.A. Hernandez-Sanchez, J.M. Sears 9:00 CHED 2. Chemistry in three-dimensions (of NGSS): Connecting ideas, practices, and concepts – with data collection. T.M. Loschiavo 9:40 CHED 3. Development of the flame test concept inventory: Measuring student thinking about atomic emission. S. Bretz, A.V. Mayo 10:10 Intermission. 10:20 CHED 4. Pathways to entrepreneurship in sustainability and chemistry. S.W. Sheehan 10:45 CHED 5. Experimenting with algae in the classroom. A. Potter, S. Rukes 11:25 CHED 6. Lab practicals as common summative assessments. C. Koutros 11:55 Concluding Remarks.

SECTION B Seaport World Trade Center Beacon Hill 1

Informal STEM Education: Innovation & Collaboration Cosponsored by CCA, CPRC and PROF D. I. Lewis, D. F. Sittenfeld, Organizers, Presiding 8:30 Introductory Remarks. 8:35 CHED 7. Sharing science with society: ACS Chemistry Festival Program and Festival Training Institutes. L. Raines, B. Miller, I. Montes 8:55 CHED 8. Chemists Celebrate Earth Day events by Northeastern Section of American Chemical Society (NESACS) and Museum of Science (MoS), Boston: A golden opportunity for students to develop soft-skills. J. Ranga 9:15 CHED 9. The Tennessee STEAM Festival: A state-wide collaboration in Informal Science Education. P.J. MacDougall, T. MacDougall 9:35 CHED 10. Community college Science Slam: Activities to engage the public in STEM and health sciences. R.A. Weintraub, B. Ameer 9:55 Intermission. 10:10 CHED 11. Science story time and a preschool audience. T.A. Halmi, H.N. Myers 10:30 CHED 12. NESACS National Chemistry Week: Recruit, prepare, engage. S. Lam 10:50 CHED 13. Empowering undergraduates to be green chemistry ambassadors in their community through outreach. S. Choudhry, A. Calnan, R. Marks, V. Ganss 11:10 CHED 14. Empowering K-12 students to be STEM ambassadors. G. Rubino, R. Derival 11:30 Concluding Remarks.

SECTION C Seaport World Trade Center Cambridge 1/2

Use of Computer Simulation to Teach Chemical Kinetics & Enzyme Kinetics in Undergraduate Research & Education Cosponsored by BIOL and COMP D. K. Wicht, Organizer K. A. Johnson, Presiding 8:30 Introductory Remarks. 8:40 CHED 15. KinTek Explorer: Getting the students’ feet wet. J. Potratz

Women of Color in the Academy: Empirical Studies & Models of Success Sponsored by PROF, Cosponsored by CHED and WCC

SUNDAY AFTERNOON SECTION A Seaport World Trade Center Waterfront Ballroom 1/2

Chemistry Teachers Day Program Cosponsored by PROF S. C. Rukes, Organizer, Presiding 1:00 CHED 22. Assessing student growth in chemistry using standards based grading. M.A. Chapman 1:35 CHED 23. Inquiry lab into the nature of color: Student design and discovery. H.W. Zimmer 2:10 CHED 24. More “bang for the buck”: Short laboratory activities to explore multiple concepts. S.M. Palmer 2:45 Intermission. 2:50 CHED 25. Discovery learning: Development of a unique active learning environment for introductory chemistry. W.R. Lacourse, L. Ott 3:15 CHED 26. Chemistry is out of this world! K.M. Kaleuati 3:45 CHED 27. Metal-organic framework nanospheres for smart drug delivery. C. Tsung, A.P. Young 4:10 Intermission. 4:15 CHED 28. Organizing chemistry instruction around scientific models. T. Marx, E. Posthuma-Adams 4:55 Concluding Remarks.

SECTION B Seaport World Trade Center Beacon Hill 1

Informal STEM Education: Innovation & Collaboration Cosponsored by CCA, CPRC and PROF D. I. Lewis, D. F. Sittenfeld, Organizers, Presiding 1:30 Introductory Remarks. 1:35 CHED 29. Sharing the joy of chemistry with kids of all ages: Remembering Phyllis A. Brauner. B.Z. Shakhashiri 1:55 CHED 30. ChemAttitudes: Developing and disseminating strategies and materials to support chemistry interest, relevance, and self-efficacy. D.F. Sittenfeld, M.M. Kirchhoff, R. Ostman, E.K. Kollmann, L. Bell 2:15 CHED 31. Facilitation techniques for hands-on activities that increase feelings of interest, relevance, and self-efficacy in chemistry. A. Anderson, M. Beyer, E.K. Kollmann, M. Bequette 2:35 CHED 32. Science magic tricks to inspire and motivate very, very, very young students. R. Silvestri 2:55 Intermission. 3:10 CHED 33. Communicating Chemistry to undergraduate students at various outreach events. M. Chatterjee 3:30 CHED 34. Collaborative partnerships between K-12 teachers/informal educators and scientists. S. Kelly 3:50 CHED 35. Energy and U: Teaching elementary school students thermodynamics through explosions, lasers, and dancing. J. Ting, J. DeWilde, E.P. Rangnekar, J.E. Franek, F.S. Bates, M.A. Hillmyer, D.A. Blank 4:10 CHED 36. Let’s talk about water: How to engage with the general public about fundamentals and recent advancements in water treatment. A. Mulchandani, A.C. Barrios 4:30 Concluding Remarks.

SECTION C Seaport World Trade Center Cambridge 1/2

Undergraduate Research Papers Cosponsored by SOCED C. V. Gauthier, J. V. Ruppel, Organizers N. L. Snyder, Organizer, Presiding 1:30 Introductory Remarks. 1:35 CHED 37. GC-MS analysis of Chinese Baijiu spirit flavored as American whiskey. C. Mastorovich, R. Silvestri 1:45 CHED 38. Development of a method to quantitatively determine the fidelity of mutant polymerases. S. Barrett, A. Leconte 1:55 CHED 39. New insight into the preparation of flame-retardant thermoplastic polyether ester utilizing betacyclodextrin as a charring agent. J. Li 2:05 CHED 40. Olefin chemistry on Au(111)-based catalysts. M. Gillum, J. Wilke, M.C. DePonte, E.M. Maxwell, A.E. Baber 2:15 Intermission. 2:35 CHED 41. Impact of chain architecture on the physical aging of polystyrene thin films. G. Brown, E. Lewis, B.D. Vogt 2:45 CHED 42. Towards spontaneously self-assembled supramolecular rotor systems: Conformational analysis of benzene and p-terphenyl rotators on a host-guest [10] cycloparaphenylene-C60 dyad stator. A. Siddiqui, S. Munoz, P.A. Ayala 2:55 CHED 43. Syntheses, characterizations, and computational studies of SNS copper(I) pincer complexes based on bis-imidazole precursors: Impact of solvent coordination on atropisomeric conformations. S.E. Zygmont, J.R. Miecznikowski, E. Reinheimer, J.P. Jasinski, M.A. Lynn, E.M. Almanza, R.M. Kharbouch 3:05 CHED 44. Quantification of a-synuclein concentration via graphene biosensors. A. Sriram, S. Decker, O. Dickens, K. Luk, A.T. Johnson 3:15 Intermission. 3:35 CHED 45. Ligand-induced stabilization of DNA and RNA G-quadruplex structures. H. Hoang, T. Chiba, M. Pizzuto, C.M. Anderson, S.S. Jain 3:45 CHED 46. Mechanism of PALB2’s interaction with DNA in hom*ologous recombination. L. Kanikkannan, J. Deveryshetty, S. Korolev 3:55 CHED 47. Atomistic models of the lipid matrix in the stratum corneum. E. Wang, J.B. Klauda 4:05 CHED 48. Needle in a haystack: Antibacterial activity-guided fractionation of potato wound tissue extract. M. Perez Rodriguez, K. Dastmalchi, R.E. Stark 4:15 Intermission. 4:35 CHED 49. Characterization of the antioxidant activity of six mushrooms species. A. Farragher-Gnadt, G. Holevinsky, J. Michelotti, E. Sharpe, F. Bou-Abdallah 4:45 CHED 50. Pursuing the secondary structure of cancerrelated DNA repeats using biophysical methods. D. Jordan, B. Powell, L.A. Yatsunyk 4:55 CHED 51. Carcinogenic and neurotoxic risks of acrylamide consumed through caffeinated beverages among the Lebanese population. R. Daher, A. Merhi, G. Naous, M. Mroueh, R. Taleb 5:05 Concluding Remarks.

SUNDAY EVENING SECTION D Boston Convention & Exhibition Center Exhibit Hall B2/C

General Posters A. L. Marsh, Organizer 7:00 – 9:00 CHED 52. Exploring exponential decay using limited resources. A. Garafalo, E. DePierro, P. Gordon CHED 53. Sweet, sweet science: Addressing the gender gap in STEM disciplines through a one-day high school program in sugar chemistry. D.J. DiScenza, M. Levine CHED 54. It takes an educational village and a safe leaning environmentt to improving success in introductory chemistry: Lessons learned from one semester introductory chemistry course at a small liberal arts college. M.J. Castaldi, J.K. Murray, S. Lyle, P. Jameson, J. Zhang, J. McHugh CHED 55. Paper to plastics: Combining outreach with new curriculum development. A.S. Wong, A.W. Sudyn, M. Thompson, R. Andrison, J.E. Wissinger, J.A. Byers CHED 56. Using iBooks to create textbooks that match students’ current learning styles. J. Franco, B. Provencher CHED 57. Novel concept for effective teaching of electron configuration: Designing an “Electron House” model as a basic study tool. G.M. Smeureanu, K.J. Grant CHED 58. Application of a practical dye-sensitized solar cell teaching kit in high school energy education. C. Su, S. Chien, C. Chou, H. Wang, W. Li

CHED 59. Development of workforce training and education programs at Lamar University through on -campus, online and onsite educational courses and hands-on laboratory training in Process Analytical Chemistry and Technology (PACT) and Laboratory Information Management Systems (LIMS). S. Shukla, T. Aminabhavi, P. Chandrasekaran, B. Yu, A. Shukla CHED 60. Implementation of general chemistry supplemental instruction at a regional campus. C. Cady, J.D. Aguirre CHED 61. Investigating the effect of curriculum on gender-minority STEM outreach camp outcomes. K. Tyler, N. Johnson-Glauch, J. Krogstad CHED 62. Studies in SPIRAL: Case studies in development and testing of POGIL laboratory experiments. C.M. Teague, E.C. Bucholtz, S. Fiddler, M.P. Garoutte, T.A. Herzog, A.B. Mahoney, M.D. Perry, M.T. van Opstal, G.H. Webster, R.M. Whitnell CHED 63. Iron and heat content of a hand warmer. D.C. Haagenson CHED 64. Impact of septic systems on Long Island’s aquifer water quality: An Interdisciplinary study. S. Sambasivan, A.N. Migues, K. Gutleber, R. Davan, Z. Al-Masri, B. Golden, N. Leonhardt, C.J. Foley CHED 65. Molecule of the week (MOTW) as a teaching tool in undergraduate education to motivate science learners. F. Manyanga, C. Chen CHED 66. Use of benchtop NMR with classical resolutions to resolve over the counter analgesics; an undergraduate organic chemistry laboratory. M.A. Bailey, R. Blough, D. Boyd, M.J. Castaldi, R. Espina, J.K. Murray, H. Robert CHED 67. Extending the scope of alcohol oxidations in discovery-oriented organic chemistry laboratories. D.D. Clark, J. Hayco*ck, B. Nelson CHED 68. Carbon in CHCl3 is NOT sp3 hybridized: Tetrahedral geometry does NOT require this. D.D. Clarke CHED 69. AccesSARizing the teaching laboratory. B.A. Haubrich, L. Rochefort, M. Saladino, A. Basu, C. Reid CHED 70. Extensive studies of nucleophilic addition of para-substituted phenol to 4-fluorobenzaldehyde. H. Chen, E. Wiggin, C. Zhang, X. Fan CHED 71. Organic dice: A didactic game for teaching chemistry. C. Rackov, H.Y. Souza CHED 72. Enhancing student learning with Molecule of the Week from ACS. C. Chen, F. Manyanga CHED 73. Course-based research in Organic II: Synthesis of neurolenin derivatives for potential treatment of a neglected tropical disease. K.M. Shea, K.L. Barnett CHED 74. Quantifying activation energy of nucleophilic aromatic substitution on fluorinated porphyrins. W. Rizvi, N.K. Bhupathiraju, S. Siddiqui, C.M. Drain, R. Park CHED 75. Independent research projects in an undergraduate physical organic chemistry course. S.L. Goh CHED 76. Mass spectrometry: Teaching beyond the box. H.M. Gabor, B. Regel, C. DeCarlo, S. Fleishner CHED 77. Design, implementation, and evaluation of an interdisciplinary undergraduate laboratory experiment in paper-based devices for synthetic analyte detection. T. Mako, M. Levine CHED 78. Chemoinformatics courses to enhance the curricula of university students. J. Ruiz-Rios, F.I. SaldívarGonzález, J.L. Medina-Franco CHED 79. Development of near-infrared emitting fluorophores for potential biosensing application. R. Choudhury CHED 80. Determination of fatty acids in coffee using gas chromatography/mass spectrometry (GC/MS). A.A. Bazzi, J. Bazzi, Y. Deng, F. Ali, A. Badaoui, N. Jaffal, H. Jouni CHED 81. Cyclic voltammetry in the undergraduate teaching laboratory: Determining benzocaine concentrations in aqueous solution using carbon screen-printed electrodes. D.E. Martyn, S.K. Buehler CHED 82. High throughput discovery: A multidisciplinary approach to translational research & education. S. Berritt, D. Schultz, J. Field CHED 83. TAP into chemistry: Using video mini-lessons to address preparation of students for upper-division coursework. A. Manevich CHED 84. Guided inquiry experiment involving the intrinsic viscosity of a polymer in aqueous solution. A.L. Marsh CHED 85. Mantras for graduate education reform: Why the prayers aren’t answered. M.T. Ashby, M.A. Maher CHED 86. Enhancing the learning experience in a nonmajors chemistry class. J.D. Aguirre CHED 87. Development of a rubric to assess scientific writing in the chemistry curriculum. T.J. Dransfield, J. Evans

117

TECHNICAL PROGRAM

9:00 CHED 16. Teaching principles of chemical equilibria using computer simulation methods. E. Taylor, K.A. Johnson 9:20 CHED 17. Use of dynamic computer simulation in teaching chemical kinetics. M. Zewail-Foote 9:40 CHED 18. Use of KinTek Explorer to teach enzyme pre-steady-state kinetics in an advanced undergraduate biochemistry course. E.E. Trimmer 10:00 Intermission. 10:15 CHED 19. Understanding CRISPR-Cas9 Activity using KinTek Explorer Simulation. S. Gong 10:35 CHED 20. Probing the mechanism of DNA Ligase – DNA binding with Kintek Kinetic Explorer. G.J. Lohman 10:55 CHED 21. Using dynamic simulation to teach kinetics. K.A. Johnson

TECHNICAL PROGRAM

CHED CHED 88. Improving the teaching skill of young teachers within teaching team. Z. Wang, Z. Jiang CHED 89. Bridging the gap: The IUPAC Young Observer program. L. Kent, M.M. Rogers, D. Rabinovich CHED 90. Mutually beneficial relationship between students and peer learning assistants in course-based undergraduate research experiences (CUREs). K. Targos, J. Jennings, A.W. Vater, A.K. Franz

MONDAY MORNING SECTION A Seaport World Trade Center Waterfront Ballroom 3

General Papers Curriculum S. A. Fleming, Organizer A. V. Mallia, Presiding 8:30 Introductory Remarks. 8:35 CHED 91. Factors that influence chemistry students to choose a chemistry-related career. S. Avargil, G. Sterimbaum 8:55 CHED 92. Read this! The use of primary literature in the undergraduate chemistry curriculum. R.M. Savizky 9:15 CHED 93. Block-mode delivery of undergraduate chemistry – Designing the curriculum. D. Caridi, S.W. Bigger, A.J. Smallridge 9:35 CHED 94. Assessment across the undergraduate curriculum: Moving toward an integrated capstone experience. J. Zhang, J.K. Murray, M.J. Castaldi, M.A. Bailey, R. Blough 9:55 Intermission. 10:10 CHED 95. Preparing second career chemistry teachers. G. Shwartz, Y. Dori 10:30 CHED 96. Creating a viable research program at a small two-year college. J.W. Hartman 10:50 CHED 97. Promoting undergraduate research at an HBCU: Sophom*ore immersion in research and academics program. S.O. Fakayode, G. Byrd, S. Wellman, T.A. Pinder, Z.S. Wilson 11:10 CHED 98. Re-structuring the general chemistry curriculum to faciilitate decision-based lerening. S.G. Wood, K. Plummer, R. Swan 11:30 Intermission. 11:45 CHED 99. Peer-facilitated workshops enhances interactivity and student success in nursing chemistry sequence. K.J. Grant, G.M. Smeureanu 12:05 CHED 100. Effectiveness of the self-regulation skills in partially flipped organic chemistry classroom using learner logs at a 4-year public college. A.V. Mallia 12:25 CHED 101. Use of automated response systems (ARS) in a small, upper-division chemistry class. J.F. Kirby, M. Nabel 12:45 CHED 102. Who does extra credit? A.G. Karatjas, J.A. Webb

SECTION B Seaport World Trade Center Waterfront Ballroom 1A/1B

Science Diplomacy & Chemistry Education The Middle East Cosponsored by IAC and PROF M. Z. Hoffman, Z. M. Lerman, Organizers, Presiding 8:30 Introductory Remarks. 8:35 CHED 103. Science diplomacy in the Soviet Union, Cuba, and the Middle East. Z.M. Lerman 9:05 CHED 104. Malta conferences: Science diplomacy as a bridge to peace in the Middle East. M.Z. Hoffman 9:35 CHED 105. Enzymatic nanoreactors to the rescue. O.K. Farha 10:05 Intermission. 10:15 CHED 106. Intrinsically international geoscience issues are scientific diplomacy opportunities. C.E. Kolb 10:45 CHED 107. Pursuing peace in the Middle East through science education. L. Hogue 11:45 Concluding Remarks.

SECTION C Seaport World Trade Center Cambridge 1/2

Approaches in Using Food & Cooking to Engage Diverse Audiences in Science K. Hollar, V. Maini Rekdla, P. M. Sorensen, Organizers, Presiding 8:30 Introductory Remarks.

118

8:35 CHED 108. Crystalline vs amorphous solids, a great way to use food science as an introduction to real chemistry. S.B. Mitchell 8:55 CHED 109. Engaging non-science majors: Boston University PY107 – Physics of Food and Cooking. R. Bansil, K. Ludwig 9:15 CHED 110. Chemistry and physics of cooking at Duke: Lessons and perspectives. P. Charbonneau 9:35 Intermission. 9:45 CHED 111. How teaching “Molecular Gastronomy: From Test Tubes to Taste Buds” makes science palatable for all students. P.B. O’Hara 10:05 CHED 112. Designing a chemistry of cooking course with campus dining staff and facilities. L. Tran Lu 10:25 CHED 113. An amuse-bouche of chemistry: Using food to acquire scientific literacy among non-science majors. M. Mulé, J. Foley 10:45 CHED 114. Teaching flavor chemistry and fostering curiosity with food fermentations. P.M. Sorensen 11:05 Intermission. 11:15 CHED 115. Food across Augsburg’s curriculum. B. Stottrup, M. Wentzel, J.R. deVries, A. Green 11:35 CHED 116. Hands-on preparation of aromatic Indian dishes as a way to discuss chemistry and then eat the products. K.K. Bagga 11:55 CHED 117. Young Chefs Program lesson plan development: A student-led independent study project in cooking and science. D.S. Gross, V. Maini Rekdla 12:15 Concluding Remarks.

How to Get Your 1st Industrial Job Sponsored by PROF, Cosponsored by CHED, CTA and YCC

Citizen Science & Chemistry Sponsored by ENVR, Cosponsored by CEI and CHED

MONDAY AFTERNOON SECTION A Seaport World Trade Center Waterfront Ballroom 3

From Nano to Macro: How to Let Students Discover the Applications of Materials Financially supported by IPEC S. C. Rukes, Organizer, Presiding 1:30 Introductory Remarks. 1:40 CHED 118. From nano to macro: A make and take session of multiple demo aids. S.C. Rukes 2:35 CHED 119. Using nanotechology to teach high school chemistry concepts. S.C. Rukes 2:50 CHED 120. Playing with “nano-blocks” enables learning about environmental applications of nanotechnology. A. Mulchandani, A.J. Atkinson, S. GarciaSegura, P.K. Westerhoff 3:20 Intermission. 3:25 CHED 121. Biomimicry: Inventions and innovations inspired by nature. E. Nash, S. McCarron- Stewart 3:55 CHED 122. Microscopic mycelium: Growing sustainable design solutions. R. Derival, E. Nash 4:25 CHED 123. Sustainable textiles: Threads that connect us all. S. McCarron- Stewart, G. Rubino 4:55 CHED 124. The secrets of sharks’ skin. K. Anderson, A. Lambert 5:25 Concluding Remarks.

SECTION B Seaport World Trade Center Waterfront Ballroom 1A/1B

Science Diplomacy & Chemistry Education The Middle East & Beyond Cosponsored by IAC and PROF M. Z. Hoffman, Z. M. Lerman, Organizers, Presiding 1:30 Introductory Remarks. 1:35 CHED 125. Health sciences diplomacy as an alternative to political paralysis. A. Taylor 2:05 CHED 126. Synchrotron light sources in developing countries; sesame and others. H. Winick 2:35 CHED 127. IYCN: Young chemists leading positive change. L. Ferrins, C. Rawlins, E. Llabani 3:05 Intermission. 3:15 CHED 128. Formula for a successful international collaboration: The NESACS-GDCh student exchange program. T.R. Gilbert

3:45 CHED 129. Global collaborative STEM education: Opportunities for international high school students to diplomatically exchange insight and perspective on pressing global challenges. S. Kelly, T. Perry 4:15 CHED 130. Building international collaborations through Distributed Drug Discovery (D3). W.L. Scott, J.G. Samaritoni, M.J. O’Donnell 4:45 Concluding Remarks.

SECTION C Seaport World Trade Center Cambridge 1/2

Approaches in Using Food & Cooking to Engage Diverse Audiences in Science K. Hollar, V. Maini Rekdla, P. M. Sorensen, Organizers, Presiding 1:30 Introductory Remarks. 1:35 CHED 131. Young Chefs Program: An open-access platform for cooking and science education in the digital age. V. Maini Rekdla 1:55 CHED 132. The Young Chefs Program at Carleton College: Using cooking to teach middle school students science. S. Amagai, R. Fairchild, V. Umscheid, J. Johnson, D.S. Gross 2:15 CHED 133. STEAM and cooking with chef Koochooloo. L. Sabourian 2:35 Intermission. 2:45 CHED 134. SteamEd: Training educators in science and cooking. V. Maini Rekdla, K. Hollar, P.M. Sorensen 3:05 CHED 135. Molecular gastronomists at Georgia Tech: A student club at the intersection of science, culture, and food. M. Evans, E. Ellison 3:25 CHED 136. Engaging doctoral students at the scientific-culinary interface. A. Walker, K.A. Jackson, V. Maini Rekdla, R. Mazitschek, S. Thomas 3:45 CHED 137. Using kitchen chemistry and technology to engage K-12 and college students. E. Nam 4:05 Intermission. 4:35 CHED 138. Improving quality of life in patients through culinary research. G. Gangal, A. Gálvez, T. Massanés 4:55 CHED 139. Effective science communication through cooking. L.H. Zhou 5:15 Concluding Remarks.

SECTION D Boston Convention & Exhibition Center Exhibit Hall B2/C

Undergraduate Research Posters Agricultural & Food Chemistry Cosponsored by AGFD and SOCED N. Di Fabio, J. Roberts, Organizers 2:00 – 4:00 CHED 140. Determination of pesticide residues at the Food and Drug Administration using the QuEChERS extraction method in conjunction with liquid and gas chromatography. H. Kim, X. Yu, T. Harrison, P.D. Svoronos CHED 141. Elemental analysis of arsenic in rice speciation. K. Kaur, L. Aleo, D. Stutts, P.D. Svoronos CHED 142. Volatile components of Artocarpus altilis (breadfruit) peel. B. Yates, K. Robinson, C. Richardson, S. Silver, N. Spellman, K. Christian, O.E. Christian CHED 143. Isolation and identification of volatile components from the flowers of Artocarpus altilis (breadfruit). U. Ouoha, S. Patel, C. Nkwazema, K. Christian, O.E. Christian

SECTION D Boston Convention & Exhibition Center Exhibit Hall B2/C

Undergraduate Research Posters Analytical Chemistry Cosponsored by ANYL and SOCED N. Di Fabio, J. Roberts, Organizers 2:00 – 4:00 CHED 144. Calculation of the ionization constant of carboxylic acids in mixed solvents via freezing point depression measurements. E. Mera, P.D. Svoronos CHED 145. Photoisomerization of piceid: Implications for the analysis of resveratrol. H. Arcure, D.E. Mencer, W. Terzaghi, K. Klemow CHED 146. Extraction of red cabbage and investigation of the various colors based upon pH. M.E. Squires, R. Li CHED 147. Using urinary myoglobin as a biomarker for muscle damage in college athletes. G. Zarro, K. Pangallo

SECTION D Boston Convention & Exhibition Center Exhibit Hall B2/C

Undergraduate Research Posters Biochemistry Cosponsored by BIOL and SOCED N. Di Fabio, J. Roberts, Organizers 2:00 – 4:00 CHED 170. Nucleosome assembly on oxidatively damaged DNA. L. Gonzalez, C. Aguirre, M. Klureza, E.R. Jamieson, M. Nunez CHED 171. Efforts towards the structure of a noncanonical DNA repeat implicated in cancer. B. Powell, D. Jordan, J.B. Chaires, W. Dean, R. Marmorstein, E. Brown, L.A. Yatsunyk CHED 172. Biophysical and structural studies of telomeric DNA in complex with a small molecule ligand as an anticancer strategy. Y. Lin, L.A. Yatsunyk CHED 173. Bacterial adhesion measured by atomic force microscopy. A. Walker, C. Peraza, C.B. Volle, M.A. Ferguson, E.M. Spain, M. Nunez CHED 174. Simulations of the effect of caffeine on water permeability across a biological membrane. T. Johnson, W. Peña, S. Lee, R. Versace

CHED 175. New strategy for the synthesis of aminoacylated dinucleotide CpA-aa. R. Rodriguez, C. Brehm, M. Wisniewski, R.C. Nangreave CHED 176. Discovery of new sphingosine kinase 1 inhibitors. E. Mera, M. Pulkoski-Gross CHED 177. Fluorescence and UV-Vis studies of quinoneinduced protein modifications. J. Ewald, C. Thomas, J. Kim, T.V. Albu CHED 178. Bacterial nucleic acid quadruplex formation. A. Cecere, S. Shepardson-Fungairiño, H. Murayama, M. Nunez CHED 179. Thermodynamics of glutathione binding to Fe(II), Cu(II), and Zn(II): An isothermal titration calorimetry study. J. Paliakkara, F. Bou-Abdallah CHED 180. Effect of chaotropes on the kinetics of iron release from ferritin by flavin nucleotides. N. Flint, L. Johnson, T. Wilkinson, P. Arosio, A. Melman, F. BouAbdallah CHED 181. Inhibition of histone deacetylases by dihydroxamate-containing compounds. L. Bayless, S. Kim CHED 182. Interaction between the twin arginine transport receptor protein, cpTatC, and the transporting precursor mature peptide. K. Hird, G. Thomas, C. Dabney-Smith CHED 183. In vitro effects of mushroom extracts on brain tumor cells. O. Gharib CHED 184. Investigating the interaction of antimicrobial peptides with Gram-positive biofilms. R. MacVickar, T. Mashaka, M. Nunez, C.B. Volle CHED 185. Investigation of factors that trigger essential conformational changes in FTT258. A.A. Hossain, R. Johnson CHED 186. Characterization of modified-DNA polymerase fidelity. M.K. Seto, A.M. Leconte CHED 187. Ester-protected ethambutol derivatives. E. Kile, R. Johnson CHED 188. Nanomaterials interact with artificial lipid bilayers. M. Skinner, R. Warmoth, S. Lee CHED 189. Model cell membranes are perturbed by antiinflammatory drugs. M. Wood, M.J. Morales, S. Lee CHED 190. Permeability of unsaturated lipid membranes: Effect of alpha-tocopherol. S. Foley, S. Lee CHED 191. Control of membrane water permeability in asymmetric droplet interface bilayer. B. OSullivan, M.J. Morales, S. Lee CHED 192. Differential scanning calorimetric study of the effect of small molecules on the thermal behavior of phosphatidylcholine lipid bilayer. A. Jagarnath, B. OSullivan, S. Lee CHED 193. Investigation of functionally essential cysteine residues within human ghrelin O-acyltransferase. M. Aiduk, T. Davis, J. Hougland CHED 194. Sarkosyl: A milder detergent than SDS for identifying proteins with modest hyperstability using gel electrophoresis. J. Patrick, J. Thibeault, K. Xia, A. Martin, S. Hill, J. Sen, W. Colon CHED 195. Enzyme kinetics of amylase in the presence of sucralose by the iodine-starch method. J.D. Popolow, P.S. Oscar, T.A. Trumbo Bell CHED 196. Comparison of balance error scoring system scores and salivary glial fibrillary acidic protein concentration in adult soccer players as markers for mTBI. A.P. Martin, C.P. Holdren, T.A. Trumbo Bell CHED 197. Comparative analysis of the different technologies used in metabolomics and creation of a gutmicrobiome resource kit for high-school curriculum. V. Joshi, S. Sarangi, E. Angle CHED 198. Isolation of glycoside hydrolases towards the goal of universal blood. D. Leyva, M. Gallo CHED 199. Effects of electrophiles on the heat shock response system. E. Trost, M. Sternick, R.E. Connor CHED 200. Exploring a possible moonlighting role for global phosphatase in S. pneumonia. H. Sellers, N.E. Grossoehme CHED 201. Investigation and preparation of novel formulations comprised of exotic butters and marine algae as antimicrobial surfaces. M. Lopata, J.I. Rizzo, K. Melkonian, K. McLeod CHED 202. Effects of multiple amino acid mutations of a key quorum sensing peptide, CSP-1. K. Chichura, B. Koirala, Y. Tal-Gan, M.A. Bertucci CHED 203. Structural impacts of substituting dialkylated amino acids into a beta-sheet peptide. A. Weber, G. Lengyel CHED 204. Investigation of the structure of G-quadruplex DNA in complex with porphyrin ligand. Y. Manurung, Y. Lin, L.A. Yatsunyk

SECTION D Boston Convention & Exhibition Center Exhibit Hall B2/C

Undergraduate Research Posters Biotechnology Cosponsored by BIOT and SOCED N. Di Fabio, J. Roberts, Organizers 2:00 – 4:00 CHED 205. Continuous 3D chaotic printing: Using the chaotic flow induced by a Kenics mixer to continuously fabricate complex micro- and/or nanostructure at high resolution. C. Chávez, M. Diaz de Leon Derby, G. Trujillo de Santiago, M. Alvarez

SECTION D Boston Convention & Exhibition Center Exhibit Hall B2/C

Undergraduate Research Posters Chemical Education Cosponsored by SOCED N. Di Fabio, J. Roberts, Organizers 2:00 – 4:00 CHED 206. Effect of active learning videos on organic chemistry learning. J. Su, R.R. Srinivasan CHED 207. Effective scaffolding for students’ out-of-class use of chemistry simulations. A. Shrode, B. Martinez, D.G. Herrington, R.D. Sweeder, J.R. Vandenplas CHED 208. Evaluating the health benefits of polyphenols using analytical and computational methods. S.L. Burke, A.M. Fedor CHED 209. Green analytical chemistry lab: Spectrophotometric determination of phosphate. M. Dilip, R. Lindsay CHED 210. Sizzle and fizzle: An inexpensive and accessible kinetics experiment using bath bombs. M. Cabassa, B.L. Haas CHED 211. Using bulky groups to favor the typically unfavored diastereomer in benzoin reduction: An inquirybased teaching laboratory. J. Merritt, F. Firooznia CHED 212. Bias analysis: Proficiency testing program focused on research-based learning (RBL). G. Lopez-Reyes, M. Olvera-Treviño CHED 213. Students ‘participation and teaching strategies: Developing first-year undergraduate students’ learning skills, motivation and positive affect. M. Elizondo, J. Ramirez Torres, S. Sandi-Urena CHED 214. Absolute temperature determination for general chemistry laboratory. A. Dukart, D.R. Viernes CHED 215. Team-Based Learning (TBL) in a chemistry classroom. K. Pangallo CHED 216. Does focused algebra review impact undergraduate students’ math confidence in chemistry? K. Pangallo

SECTION D Boston Convention & Exhibition Center Exhibit Hall B2/C

Undergraduate Research Posters Colloid & Surface Chemistry Cosponsored by COLL and SOCED N. Di Fabio, J. Roberts, Organizers 2:00 – 4:00 CHED 217. Three-component coupling to create novel nanocomposites. B.P. Chauhan, G. Longia, Q. Johnson CHED 218. Development of iron oxide based nanoparticle vaccines for human papilloma virus. R.H. Vincent, A. Reilly, J.W. Dittmar, B.D. Stein, L. Bronstein CHED 219. Superparamagnetic iron oxide nanoparticle clustering aided by multiblock amphiphilic copolymer increases drug uptake and release. P. Price, J.W. Dittmar, B. Lawson, A.S. Voronov, A. Kohut, L. Bronstein CHED 220. Synthesis, morphological evolution and kinetic studies of rhodanine-late transition metal complexes. B.P. Chauhan, V. Musli, A. Gaba, M. Chauhan, G. Longia CHED 221. Examining interbacterial forces by atomic force microscopy. T. Liu, P. Saha, M.A. Ferguson

SECTION D Boston Convention & Exhibition Center Exhibit Hall B2/C

Undergraduate Research Posters Computational Chemistry Cosponsored by COMP and SOCED N. Di Fabio, J. Roberts, Organizers 2:00 – 4:00 CHED 222. Determining the effects of metabolism on green tea polyphenols using computational methods. K. Grzymski, A.M. Fedor

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TECHNICAL PROGRAM

CHED 148. DNA aptamers that selectively bind to hydroxyapatite. E. Duffy, A.E. Gerdon CHED 149. Calcium phosphate supersaturation ratios alter DNA aptamer-templated mineralization in solution. J. Shlaferman, A.E. Gerdon CHED 150. Using measurements at individual nanoparticles to screen electrocatalysts for hydrazine oxidation. J. Walmsley, P. Saha, C.M. Hill CHED 151. Quantification of cinnamaldehyde in dietary supplements and cooking spices. D. Hallak, K.S. Wendling CHED 152. Determination of the refractive index of calcium nitrate measured by the extension method. J. Park, H. Kim, J.H. Shin CHED 153. Thermodynamic study of esterification of acetic acid and amyl alcohols using a microwave reactor. K. Simon, J.H. Shin CHED 154. Polyurethane elastomers in cultural heritage: Spectral analysis and database generation. M. Landis, A. Rizzo CHED 155. Determination of aluminum in commercial cake mix with flame atomic absorption spectroscopy. R.J. Holthus, A.A. Bazzi, J.A. Bazzi CHED 156. Biomolecular influence on a model lipid membrane: Raman spectral study. E. Miller, S. Braziel, J. Warner Clement, S. Lee CHED 157. Determination of lead in municipal water samples from Flint, MI, using GFAAS and ICP-MS. E.J. James, K.A. Rincon, J. Bazzi, A.A. Bazzi CHED 158. Optimization of calibration-free laser-induced breakdown spectroscopy for the rapid classification of iron and stony-iron meteorites under ambient conditions. O.F. Wass, D. Gerrity, N.A. Swartz, O. Cohen, M. Hebert CHED 159. Portable X-ray fluorescence (XRF) for field archaeology. N. Allen, M.K. Donais, D. George CHED 160. X-ray fluorescence spectroscopy analysis of illuminated manuscripts. E.A. Lomuscio, M.K. Donais CHED 161. Detection, isolation, and characterization of pigments produced by soil bacteria. M. Slemmer, M. Bell, S.E. Lettini, T.P. Umile CHED 162. Quantifiying xylene mixtures by Raman spectroscopy. L. Reilly, R. Desamero, E.E. Mojica CHED 163. Raman spectroscopic analysis of nitrile containing compounds. L. Wyan, R. Desamero, E.E. Mojica CHED 164. Characterization of bee propolis from Greece. J. Farshi, E.E. Mojica CHED 165. Binding of sulfa drugs with nanoceramics (metal oxides). G. Iannone, E.E. Mojica CHED 166. Lipid profiling in K562 human leukemia cells via gas chromatography-mass spectrometry. J. Gilbertson, E. Hong, A. Gaito, L. Cintron-Rivera, L. Dupree, C. Andersen, A.R. Van Dyke CHED 167. How does pesticide accumulation impact a keystone species? Quantitation of atrazine in the hepatopancreas of crayfish using QuEChERS extraction and liquid chromatography-mass spectrometry. D.J. Dayfield, K.E. Yacoo, D.N. Maxwell, V.C. Torres, R.M. Belanger, E. Roberts-Kirchhoff, K.R. Evans CHED 168. Quantification of unreacted styrene in composites laminate using SPME/GC techniques. J. Habumugisha, J.R. Ford CHED 169. Specific electrical capacitance for model membrane thickness. J. Giancaspro, S. Lee

TECHNICAL PROGRAM

CHED CHED 223. DFT study of amine group anchoring in silicon (100) surface dimers. J.E. Rojas, F. Muñoz CHED 224. Probing the mechanism of binding between the sperm and egg cell surface receptors by molecular dynamics simulations and free energy calculations. J.D. Balmforth, E.N. Laricheva

SECTION D Boston Convention & Exhibition Center Exhibit Hall B2/C

Undergraduate Research Posters Environmental Chemistry Cosponsored by ENVR and SOCED N. Di Fabio, J. Roberts, Organizers 2:00 – 4:00 CHED 225. Selectivity in heavy metal removal from contaminated water using agrowaste. O. Olafuyi, A. Allen, O. Okeh, L.E. Agwaramgbo CHED 226. Determination of bacteria, chlorophyll a and dissolved oxygen in wastewater at the New York City Department of Environmental Protection (NYC-DEP). L. Ramirez Medrano, B. Boniecki, F. Jacques, P.D. Svoronos CHED 227. Photochemical degradation of oil products in seawater monitored by 3D excitation-emission matrix (EEM) fluorescence spectroscopy: Implications for colored dissolved organic matter (CDOM) studies. W.J. De Bruyn, D.K. Chang, T. Bui, S. Hok, C. Clark CHED 228. Nitrogen concentration trends in Long Island Sound. L. Ramirez Medrano, P.D. Svoronos, P. Marchese CHED 229. Analysis of sulfonyl bisphenol (BPS) leaching from polycarbonate baby bottles. L. Hall, E. Ruben, S. Sullivan, B. Ware, M. Berger CHED 230. Tennessee’s Nolichucky River: Studies of enriched uranium in environmental media from a nuclear fuel fabrication facility. A. Awosanya, N. Bagnall, R. Jackson, J. Long, B. Rodriguez, S. Youtsey, M.E. Ketterer CHED 231. Atmospheric measurements of NO, NO2, CO2, CO, and CH4 in concentrations in the air. N. Shatirishvili, G. Jibuti, W.G. Tong

SECTION D Boston Convention & Exhibition Center Exhibit Hall B2/C

Undergraduate Research Posters Green Chemistry & Sustainability Cosponsored by CEI and SOCED Financially supported by GCI; I&EC Green Chemistry N. Di Fabio, J. Roberts, Organizers 2:00 – 4:00 CHED 232. Greener remediation of hexavalent chromium using cellulose films. M. Dilip, J. Levitre CHED 233. Effect of NaCl on the solid phase acid catalyzed transesterification of vegetable oil to generate fatty acid methyl esters biodiesel. W. Burnett, P.T. Bell CHED 234. Greener removal of hexavelent chromium using cellulose films. J. Levitre, M. Dilip CHED 235. Incorporating green chemistry and sustainability into the undergraduate organic teaching labs. A. Giarrosso, J.M. Garcia CHED 236. Novel synthetic methods for green organic laboratory preparations: Mechanochemical synthesis of carboxycoumarins. S.M. Bakal, S.M. Choudhry, N.E. Schmeltz, E. Vangeli, M.N. Washington, I.J. Levy CHED 237. Preliminary investigation of the qualitative and quantitative exposure of a community of college students to bisphenol A and bisphenol S. A. Berube, E.J. Brush CHED 238. Exploring the mechanochemical synthesis of metal ammine chlorides. K. Mahardy, C.K. Pham, K. Schultz, N.J. O’Neil CHED 239. Greening the Hantzsch dihydropyridine synthesis for preparation of symmetric 1,4-dihydropyridines in the undergraduate laboratory. S. Mattei, I.J. Levy

SECTION D Boston Convention & Exhibition Center Exhibit Hall B2/C

Undergraduate Research Posters Inorganic Chemistry Cosponsored by INOR and SOCED N. Di Fabio, J. Roberts, Organizers 2:00 – 4:00 CHED 240. Deactivation of a ruthenium(II) N-heterocyclic carbene p-cymene complex during transfer hydrogenation catalysis. R.M. Kharbouch, J.R. Miecznikowski, B.Q. Mercado, M.A. Lynn, M.E. Morgan, S. Bonitatibus, N.A. Bernier, C.A. Van Akin

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CHED 241. Tris-heteroleptic ruthenium(II) polypyridyl complex: synthesis, characterization, redox, and photochemical studies. J. Marold, A. Jain CHED 242. Boron and nitrogen functionalized hierarchical porous carbon for supercapacitor. A.M. Alfaraidi, T. Baroud, E.P. Giannelis CHED 243. Synthesis of oxygen-donating scorpionate ligands for use in small scale biomimetic models of sulfite oxidase. N. Fitzpatrick, M. Youmans CHED 244. Role of confinement for host-guest interactions in UiO-66. E.H. Adillon, Z. Li, T. Rayder, J.A. Byers, C. Tsung CHED 245. Synthesis and crystal structure of several M3Ga(BO3)2 hom*ologues. G. Brown, R. Smith CHED 246. Mechanistic exploration of cation-modulated catalysis through palladium pincer complexes. K.E. Gardner, A.H. Sullivan, A.J. Miller CHED 247. Nickel and ruthenium complexes of primary amido-functionalized N-heterocyclic carbene ligands. T.V. Roach, M.L. Schmitz, V.A. Leach, J.H. DeMario, D.K. Vo, M.D. Miller, B.C. Chan, S.E. Kalman CHED 248. Synthesis of novel organoplatinum(IV) iodido compounds and evaluation of anticancer activity. A.M. O’Brien, M. Cogley, A. Arabi, S. Lee, W.A. Howard CHED 249. Synthesis and characterization of cobalt(II) model complexes for liver alcohol dehydrogenase. E.M. Almanza, J.R. Miecznikowski, J.P. Jasinski, M.A. Lynn, S.E. Zygmont, S. Bonitatibus, R.M. Kharbouch CHED 250. Cobalt(II) metal ion complexes of tapa with exogenous anionic ligands bound in the H-bonding pocket. N. Stumme, N. Sedore, A. Ellern, D.C. Swenson, M. Zart CHED 251. Plasma modified electrodes as a platform for immobilizing water splitting catalysts. Y.M. Badiei, R. Rosales, C. Traba, C. Vera CHED 252. Unique crystalline composite displaying four primary zoning events in the solid state and based upon self-assembled, helical coordination polymers. A. Zamurd, K. Godwin, A. Partelow, S. Seidel CHED 253. Preparation and acidolysis reactions of rhenium(I) complexes supported by three carbonyl ligands, an α-diimine ligand, and an alkylcarbonate ligand. K. Chen, E. Tumbaco, C. Patel, D. Santo, A. Naeem, E. Ball, D. Naik, G.A. Moehring CHED 254. Covalent metal-organic networks (CMONs): 1D, 2D, and 3D solids synthesized through protecting group methods. D. Pham, A. Kreider-Mueller, D.R. Manke CHED 255. Cancer selective ruthenium pro-drugs have been studied to show that pH can influence the distribution coefficient and uptake. S. Altman, F. Qu, J. Gray, E.T. Papish CHED 256. Utilizing a molybdenum complex selenium scorpionate ligand for the study of sulfite oxidase. S. Nichols, M. Youmans

SECTION D Boston Convention & Exhibition Center Exhibit Hall B2/C

Undergraduate Research Posters Medicinal Chemistry Cosponsored by MEDI and SOCED N. Di Fabio, J. Roberts, Organizers 2:00 – 4:00 CHED 257. Chemical synthesis of tagged analogues and development of structure activity relationships around trypanosomiasis lead drug CBL0137. B.D. Greene, E. Burchfield, K.A. Bachovchin, A. Spaulding, P. Guyett, A. Sharma, A. Purmal, B. Singh, K. Mensa-Wilmot, M.P. Pollastri CHED 258. Effect of an in vitro human digestion on the major cannabinoids present in commercially available cannabis oils. A.M. Gonzalez Pineiro, E.D. Reyes CHED 259. Using the Maquette technology to develop novel genetically-encoded voltage indicators (GEVIs). X. Yu, M. Iwanicki, B.M. Discher CHED 260. Synthesis of derivations from repurposed drug leads to find a new treatment for human African trypanosomiasis. R. Dalton, T. DeLano, R. Diaz, J.K. Fisher, E. Mavrogiannaki, G. Ceballos, M. Navarro, M.P. Pollastri CHED 261. Synthesis and biological evaluation of analogs of a bacterial secondary metabolite for antagonism of quorum sensing phenotypes. A. Mozzer, S.M. Meschwitz CHED 262. Synthesis and biological evaluation of phevalin and related pyrazinones as potential quorum sensing inhibitors. N. Martin, S.M. Meschwitz CHED 263. Co-crystallization of levothyroxine with over-thecounter medication. G. Alothman, M. Bader CHED 264. Biophysical studies of G-quadruplex DNA in complexes with small molecule ligands. A. Yett, S.T. Nyovanie, L.A. Yatsunyk

CHED 265. Design, synthesis, evaluation, and SAR development of novel small-molecule inhibitors of plasminogen activator inhibitor-1. J. Powers, T. Lepley, M. Warnock, D.A. Lawrence, C.D. Emal CHED 266. Extraction of curcuminoids from the rhizomes of Curcuma longa via low-temperature soxhlet extraction using polar protic and polar aprotic solvents. E.O. Wade, G. Aguilar CHED 267. Effect of single walled carbon nanotubes on breast cancer cell migration. I. Velasquez, R. Sullivan, T. Hemraj-Benny, S. Dehipawala CHED 268. Design and synthesis of anti-inflammatory drug derivatives for potential CNS delivery. A.J. Rice, B. Eden, W. Bowman, T. Lovett, E. Geissler, S.C. Young CHED 269. Synthesis and antimicrobial activity of cationic sophorolipid derivatives. A. Martin, S. Mekala, A. Yaksic CHED 270. In silico design of aptamers targeted to β-amyloid proteins 40 and 42: An application for Alzheimer’s disease. F.A. González, C.A. Arango, Á. Barrera Ocampo

SECTION D Boston Convention & Exhibition Center Exhibit Hall B2/C

Undergraduate Research Posters Nanochemistry Cosponsored by SOCED N. Di Fabio, J. Roberts, Organizers 2:00 – 4:00 CHED 271. Towards carbon based nanotechnology: Vertical translocation of potassium cations through a three-dimensional graphene pillar. J. Almeida, A. Rodriguez, G. Blanco, S. Munoz CHED 272. Supramolecular metallofurene atoms: HartreeFock 3-21G quantum chemical analysis of endohedral guest alkali and alkaline-earth metals within a Buckyball host. C. Luque, T. Quintero, H. Suchinsky, S. Munoz CHED 273. Optimizing coagulation conditions for boron nitride nanotube cryogels. L. Quinn, S. Williams, D. Marincel, M. Pasquali CHED 274. Undecylenic acid-based nanocarriers for resveratrol chemotherapy. B. Battaglia, R. Foreman, D. Sodders, T. Vu, C.E. Larrabee CHED 275. Microwave synthesis of ruthenium nanoparticles in the presence of polyaniline nanofibers. K. Kim, D.M. Sarno CHED 276. Non-hydrolytic synthesis of bile salt encapsulated ferrite nanoparticles. M. Johnson, V. White, P. Blount, T.M. Trad CHED 277. Triphenylphosphine-modified gold nanoparticles as potential chemo- and thermo-therapeutic agent. Y. Dho, F. Benyettou, A. Trabolsi CHED 278. Ionic liquid-single-walled carbon nanotube based electrolytes for dye-sensitized solar cells. R.A. Sumner, T. Hemraj-Benny, S.I. Lall-Ramnarine, J.F. Wishart CHED 279. Imidazole as a novel and robust gold binding group at STM-BJ method. X. Yu, S. Smith, T. Fu, J. Xue, L. Venkataraman, S. Wei CHED 280. Oligocarbazole molecular wires: Synthesis and single-molecule conductance. J. Xue, X. Yu, P. Tuttle, G.M. Florio, S. Wei CHED 281. Effect of oxidation of copper sulfide on cation exchange. K. Plass, A. Unruh, B. Li CHED 282. Interaction of antibiotic-functionalized carbon nanotubes with antibiotic-resistant bacteria. J. Carver, N. McCampbell, A. Simpson, M.D. Ellison CHED 283. Enhancing magnetically separable catalysis through the assembly of presynthesized nanoparticles on Fe/ SiO2. T. Yom, M. Muzzio, S. Sun CHED 284. Photocatalytic degradation of aldrin and dieldrin by m-BiVO4/BiOBr/Pd ternary composite. J.B. McLemore, E.B. Miller, E. Zahran, M.R. Knecht, L.G. Bachas CHED 285. Studies of C60 fullerene solutions of alkanes, cycloalkanes, and vegetable oils. L.D. Bienski, J.B. Yamouni, S.J. Clark, R.M. Rusk, V. Pham CHED 286. Thin-film flat panel display based on Y2O3:Eu3+ doped with Ag nanoparticles. R.A. González León, D.M. Jiménez Martínez CHED 287. Investigating the interactions between imidazolium-based ionic liquids and single-walled carbon nanotubes. K. Urena, R.A. Sumner, M. Begliarbekov, V. Narang, J.F. Wishart, S.I. Lall-Ramnarine, T. Hemraj-Benny CHED 288. Nanoparticles for brain drug delivery: Design, synthesis, characterization and biological evaluation. M.F. Veloz-Castillo, J. Cordero-Arreola, S. Hidalgo-Tobón, O. Arias-Carrión, M.A. Mendez-Rojas

SECTION D Boston Convention & Exhibition Center Exhibit Hall B2/C

Undergraduate Research Posters Organic Chemistry Cosponsored by SOCED N. Di Fabio, J. Roberts, Organizers 2:00 – 4:00 CHED 290. Effects of increasing size of molecular framework on crystal recognition in naphthylamide quasiracemates. M. Parks, L. Taylor, B. Wagner, K.A. Wheeler CHED 291. Unsupervised machine learning for novel ligand design. A. Hsu, J.F. Hartwig, E.V. Anslyn CHED 292. Synthesis of fluorescent 4-amino-1,8naphthalimide derivatives. H.A. Huther, J.M. Zinser, D.E. Lewis CHED 293. Progress towards the synthesis of auxiliary molecules for stereospecific peptide ligation. E. Stevens, M.T. Peterson, B.H. Williamson CHED 294. Progress toward the total synthesis of salinazinones A and B. B. Rackley, D. Martinez-Solorio CHED 295. Stereoselective synthesis of 4-amino-3hydroxybenzopyran flavonoid derivatives from chalcones. V.P. Parise, L. Xu, Y.R. Mehta, L.N. Aldrich CHED 296. Facilitation of hydrolysis of a Ni-Schiff base using varied chelating agents. M.B. Miller, S.E. Rose, G. Lengyel CHED 297. Scalable synthesis of rooperol and analogues. Z. Schwartz, M. Jemal, D. Lee, S.M. Kerwin CHED 298. Anion-binding catalysis in enantioselective chromanone construction. O. Kohei, Y. Guan, J. Attard, J. Hatt, S. Kondo, A.E. Mattson CHED 299. Extraction and isolation of secondary metabolites which exhibit activity against gram positive bacteria from anti-fungal resistant Aspergillus i. W. Van Benschoten, S. Hein CHED 300. Synthesis and optimization of [3.2.1] bicyclic compounds as potential neuroprotective agents. G. Ghuman, S.L. Maki, E.J. St. Germain, W. Bollinger, K. Dawson-Scully, S.D. Lepore CHED 301. Regioselective migratory insertions of ynol ethers. M. McCallum, B.W. Michel, B.L. Taylor CHED 302. New reactions of cyanamides and alkynamides for the synthesis of nitrogen-containing small molecules. S.P. Mulcahy, Y. Al-Issa, K. Medas, V. Ndahayo, G. Rainone CHED 303. Synthesis of aromatic belt molecules: Applications in nanoscience. T.D. Clayton, R. Jasti CHED 304. Syntheisis of a strained vinyl silane. M. West, W.R. Winchester CHED 305. Synthesis of (+)-serantrypinone. X. Wang, D.T. Mickles, J.R. Scheerer CHED 306. Synthesis and evaluation of prebiotically plausible peptides for the RNA world hypothesis. E. Martinez Valdivia, M. Lucas, U. Muller, J. Schellinger CHED 307. Antimicrobial metabolites from Hypericum brachyphyllum. J. Williamson, B. Doscher, K. Dieng, C. Nnoruka, C. McNeely, A. Tejada, D. Williams, O.E. Christian CHED 308. Facile procedure for one-pot conversion of aldehydes and ketones into 1,3-enynes. R.R. Poveda, J. Cabezas CHED 309. Synthesis of small amide carrier molecules for the inhibition of lysyl oxidase. J. Redden, D.M. Solano CHED 310. Can the lyophilized extract from maguey roots brew be used as a dietary supplement? M.T. Morales, E.D. Reyes CHED 311. Investigation into a sequential Goldberg/ Finkelstein reaction. M.E. Carpenter, M.E. Hart CHED 312. Total synthesis and biological study of natural products. C. St. Amant, M. Patel, Y. Xing CHED 313. Molecular recognition from quasiracemic regioisomers. E.C. Vyhmeister, A.K. Brandt, K.A. Wheeler CHED 314. Preparation of L- and D-vinylglycine-based building blocks for the synthesis of medically relevant complex molecules. J. Schlosser, R. Ford, E. York, L. Sanchez CHED 315. Tuning chemoselectivity toward an affordable synthesis of aurantioclavine. C. Chew, Z. Mariani, S. Scharmach, L. Sanchez CHED 316. Molecular recognition via shape mimicry of 3-substituted diarylamides. J.P. Butler, K.A. Wheeler

CHED 317. Synthesis and properties of new fluorenofluorene-based structures. H. Hashimoto, A. Hacker, K.M. D’Ambrosio, J.E. Wood, M. Pavano, D.K. Frantz CHED 318. Synthesis of lactam derivatives of LamD, a cyclic signaling peptide of Lactobacillus plantarum. A. Cantrel, M.A. Bertucci CHED 319. Stereoselective synthesis of amino acids. J.K. Harrison, T.R. Ryder CHED 320. New approach to polycyclic 2-pyridone alkaloids through a Diels-Alder/retro-Diels-Alder cycloaddition. N. Angello, R. Wiley, J.R. Scheerer CHED 321. Extraction characterization and evaluation of a crude organic extract of the Algae Stypopodium zonale as a potential source of anxiolytic agents. N.M. RodriguezRivera, R. Chiesa, C.M. Ospina CHED 322. Synthesis and triggered degradation of aliphatic polyesters. K. Maziarz, K.E. Broaders CHED 323. Synthesis and characterization of 1-(4-(1-iminoethyl)phenyl) ethanone. J. Robbins, A.B. Waghe CHED 324. Development of a biaryl oxidative couplingbased route to the anti-tumor natural products TMC-95. C. Lynch, E. Martin, S. Burgeson, L. Sanchez CHED 325. Developing a synthetic route to caramboxin, a rare bioactive non-peptidic amino acid. E. Spendio, C. Fritschi, A. Pascucci, L. Sanchez CHED 326. Polydopamine as a material for the collection of boronic esters. E. Graham, K.E. Broaders CHED 327. Exploring the effect of fluorinated side chains in a family of sulfonamide ionic liquids. J.D. Ramdihal, C. Rodriguez, K. Papacostas, E. Fernandez, E. Castner, S.I. Lall-Ramnarine, J.F. Wishart CHED 328. Enhanced performances of hierarchical zeolites in catalytic cyclisation of citronellal. A.K. Shah, M.F. Jalbani

SECTION D Boston Convention & Exhibition Center Exhibit Hall B2/C

Undergraduate Research Posters Physical Chemistry Cosponsored by SOCED N. Di Fabio, J. Roberts, Organizers 2:00 – 4:00 CHED 329. Ionization constant and solubility of lidocaine. T. Haines, P.A. Brletic CHED 330. Numerical and experimental studies of the effect of electromagnetic field on calcium dynamics in a two-cell model. C. Rosa, M. Moreno, S. Kadar, S. Walker, J. Fry, M. Turner CHED 331. Exploring the effects of gold nanoparticles binding to humic acid via fluorescence quenching. H. Kline, B.D. Anderson CHED 332. Measurement of water permeability: Droplet interface bilayer as a model for cell membrane. M.J. Morales, A. Bishop, S. Lee CHED 333. Interaction of small molecules with cell membrane models studied with tensiometry. A. Gayapa, R. Warmoth, M. Iqbal, S. Lee CHED 334. Yolk-shell nanostructures of metal nanoparticles encapsulated in porous carbon spheres as catalyst for the oxygen reduction reaction. C. Wahl, R. Mercado, J. Lu, S. Chen CHED 335. Measuring phylloquinone hydrogen bonding environments with FTIR spectroscopy and computational methods. A.M. Hoffnagle, S. Meloni, J.M. Anna CHED 336. Effects of cis and trans double bonds on water permeability of monoglyceride and phospholipid membranes in the presence and absence of cholesterol: Computational studies. J. Rosario, J. Anand, S. Lee, R. Versace

SECTION D Boston Convention & Exhibition Center Exhibit Hall B2/C

Undergraduate Research Posters Polymer Chemistry Cosponsored by PMSE, POLY and SOCED N. Di Fabio, J. Roberts, Organizers 2:00 – 4:00 CHED 337. Undecylenic acid-based drug delivery system for acute myeloid leukemia. J. Vandegrift, E. Ogle, C.E. Larrabee CHED 338. Thio-bromo click chemistry as a tool for the preparation of ROMP-based degradable gels. L. Baeza, C.E. Hobbs CHED 339. Post-polymerization click reactions facilitated by mechanochemistry. M. Ashlin, C.E. Hobbs

CHED 340. Elucidating the co-dependence of collagen and fibronectin during fibrillogenesis. J. Paten, J. Wanis, A. Figueroa-Navedo, L. Deravi CHED 341. Solid phase organic synthesis approach to polymers based on alternating ring opening metathesis polymerization. I.H. Khan, N.S. Sampson CHED 342. Exploring hydrogen bonding of silica materials using a soluble organosilicon model compound. K. Targos, J.R. Jagannathan, A.K. Franz CHED 343. Molecular dynamics: An approach for the understanding of drug delivering systems. L.I. Gil Pineda, F.A. González, C.A. Arango, C.H. Salamanca

TRiO & Chemistry Sponsored by PROF, Cosponsored by CHED, MAC, WCC and YCC

MONDAY EVENING SECTION A Boston Convention & Exhibition Center Exhibit Hall B2/C

Sci-Mix D. C. Bromfield-Lee, P. L. Daubenmire, A. L. Marsh, Organizers 8:00 – 10:00 15, 21, 31, 36, 53, 55-56, 61, 69, 74, 77, 120, 130-131, 136, 150, 205-206, 213, 215, 218, 220, 267, 272, 276-278, 283284, 286-287, 303, 331, 334. See previous listings. 353, 368, 393, 401-402, 404, 416, 422, 437, 439. See subsequent listings.

SECTION D Boston Convention & Exhibition Center Exhibit Hall B2/C

Successful Student Chapters Cosponsored by SOCED N. Di Fabio, J. Roberts, Organizers 8:00 – 10:00 CHED 344. University of Massachusettes Lowell student chapter: A focus on interdisciplinary and faculty cooperation to supplement the undergraduate education. J.D. Cullen, J.J. Garfield, N.J. Anderson, J.R. Walsh, M.V. Fonseca, N. Kogan CHED 345. California State University Northridge ACS Student Chapter. K. Moctar, A. Zlatkin, K. Kaiser, R. Abrol CHED 346. ACS Qatar University Chapter: Updates on the approach of Qatar University’s Chapter to empower young chemists and reach out to the community. A.A. Said, J.J. James, A. Mahmoud, I. Gunawan, A.S. Elgendy, A.A. ElSamak, N.S. Shah, M.K. Abdelrasool, S.Y. Al-Qaradawi CHED 347. Resonance of chemistry in Tecnológico de Monterrey in México. N.I. Preciado, A. Jiménez, M. Martil, A. Hurtado, A. Gonzalez, R. Espiricueta, D. Irigoyen, A. Nieto CHED 348. Saint Anselm College Chemistry Club: We have our ion chemistry. E.A. Lomuscio, J. Cohen, P. Zayka, N. Eyet CHED 349. Promoting Green Chemistry through the Outreach Programs of the Wilkes University ACS Student Chapter. N. Fitzpatrick, D. DeFazio, A. Black, H. Arcure CHED 350. Western Washington University Student Chapter of the American Chemical Society. C. Crickmore, S. Neely, S.R. Emory, E. Raymond CHED 351. Don’t reinvent the wheel: How to leverage collaborations and established demonstrations to create successful outreach endeavors. T. Wrenn, Z. Alkak, C. Parrocha, D. Lau, K. Byrd

TUESDAY MORNING SECTION A Seaport World Trade Center Waterfront Ballroom 1A/1B

General Papers General Chemistry S. A. Fleming, Organizer J. Houck, Presiding 8:30 Introductory Remarks. 8:35 CHED 352. Design process for a first-year blockmode general chemistry unit. S.W. Bigger, D. Caridi, A.J. Smallridge 8:55 CHED 353. Designing and teaching a course about characterization techniques for nanotechnology and materials science in an undergraduate institution. A.H. Pinto 9:15 CHED 354. Pokemon Go learn some chemistry: Applications of augmented reality to a general chemistry active-learning course. E. Victor

121

TECHNICAL PROGRAM

CHED 289. Chemical labeling of silica (SiO2) nanoparticles with fluorescein for neurological applications. P. Crespo, M.F. Veloz-Castillo, L.A. García-De-La-Rosa, K. Lopez-Garcia, R. Gutiérrez-Aguilar, M.A. Mendez-Rojas

TECHNICAL PROGRAM

CHED/CHAS 9:35 CHED 355. Experiential learning in Honors General Chemistry with free computational resources. A.K. Sharma 9:55 Intermission. 10:10 CHED 356. Chemistry around the world: Coupling an at-home lab kit with an electronic laboratory notebook. J. Houck 10:30 CHED 357. Create chemistry: Spark student engagement with digital tools. J. Houck 10:50 CHED 358. Incorporation of an iBook-based laboratory manual in general chemistry courses at Merrimack College. J.D. Blanchard, A.L. Fernandez, B. Provencher, S.M. Theberge, B. Zwickau 11:10 Intermission. 11:25 CHED 359. Teaching college organic chemistry to elementary school students: A new model for early chemistry learning. D.B. Fried 11:45 CHED 360. Implementing undergraduate research as a high-impact practice. A.E. Fischer

SECTION B Seaport World Trade Center Waterfront Ballroom 3

GSSPC: Frontiers in Computational Chemistry: Bridging the Gap Between Theory & Experiment Cosponsored by COMP S. Fischer, K. Pellegrene, Organizers, Presiding 8:30 Introductory Remarks. 8:40 CHED 361. Recent progress on the development of advanced functional materials at IBM: Bridging the gap between theory and experiment. G.O. Jones 9:20 CHED 362. Monomeric polyglutamine structures that evolve into fibrils. D. Punihaole, R.S. Jakubek, R.J. Workman, L. Marbella, P. Campbell, J.D. Madura, S.A. Asher 10:00 Intermission. 10:10 CHED 363. Adventures with Brownian dynamics. J.A. McCammon 10:50 CHED 364. New methods and models for condensed phase simulation. T.L. Head-Gordon

SECTION C Seaport World Trade Center Cambridge 1/2

Citizens First! Using Real-World Contexts for Engaging Students in Learning Chemistry Cosponsored by CEI Financially supported by Strem Chemicals, Inc. G. Clark, P. L. Daubenmire, Organizers, Presiding 8:30 Introductory Remarks. 8:35 CHED 365. Integrating ethics and social responsibility of scientists into freshman undergraduate courses. M. Berger, R. Gurney, B. Gray 8:55 CHED 366. Integrating technology and social media into introductory chemistry courses to create inclusive, informed, and engaged citizenry. D. Vardar-Ulu, D. Stelter 9:15 CHED 367. Current science and science discussion: Two ways to help students connect chemistry to the world outside of the classroom. J.R. Pribyl 9:35 CHED 368. Environmental science activity cultivation project. D.B. King, C.L. Fish, K. Aubrecht 9:55 Intermission. 10:05 CHED 369. Using student-community engagement activities to integrate environmental context in a general chemistry course. A.M. Fedor 10:25 CHED 370. Full fabrication of Pb-perovskite solar cells in a general chemistry laboratory. D.A. McCurry, S. Lee, E. Fahrenkrug, M. Kolakowski, D. Panda, S. Maldonado 10:45 CHED 371. Natural products in fermented tea leaves are suitable to assay iron in pharmaceuticals. C. Saenjum, W. Wongwilai, K. Kiwfo, C.H. Bergo, K. Grudpan 11:05 CHED 372. Phosphate recovery – applied environmental technology as a relevant issue in the learning of chemistry. I. Eilks, C. Zowada, A. Siol, O. Gulacar 11:25 Concluding Remarks.

Broadening Participation in STEM: Empirical Studies & Models of Success Improving Participation through Programmatic & Curricular Efforts Sponsored by PROF, Cosponsored by CHED, MAC and WCC

Chemistry Librarians of the Future Sponsored by CINF, Cosponsored by CHED

122

TUESDAY AFTERNOON SECTION A Seaport World Trade Center Waterfront Ballroom 1A/1B

Celebrating the Success of an Exchange Program for German & American Chemistry Students Cosponsored by IAC and YCC Financially supported by ACS Northeastern Local Section; German Chemical Society T. R. Gilbert, J. J. O’Neil, Organizers A. A. Scholte, Presiding 1:30 Introductory Remarks. Peter Dorhout, Matthias Urmann. 1:40 CHED 373. Launching and sustaining the NESACSGDCh student exchange program. M.E. Strem, T.R. Gilbert 2:10 CHED 374. Chemistry in Germany - educational and research opportunities: How to get connected and how to continue. E. Kapatsina, M. Groteklaes 2:40 CHED 375. How a 7-day exchange can make (all) the difference - a personal review. J. Breffke 3:10 Intermission. 3:20 CHED 376. Celebrating the success of an exchange program for German & American chemistry students. J.J. O’Neil, F.R. Lucci 3:30 Panel Discussion. P. Cappillino, M. Ismail, E. Lewis, E. Adaligil, C. Rawlins, G. Kim.

4:05 Discussion & Concluding Remarks.

Broadening Participation in STEM: Empirical Studies & Models of Success Improving Participation through Research & Partnerships Sponsored by PROF, Cosponsored by CHED, MAC and WCC

Chemistry Librarians of the Future Sponsored by CINF, Cosponsored by CHED

WEDNESDAY MORNING SECTION A Seaport World Trade Center Waterfront Ballroom 1A/1B

General Papers Organic

Cosponsored by COMP S. Fischer, K. Pellegrene, Organizers, Presiding 1:30 CHED 377. Surface tension and solubility vs. hydrophobicity. B.M. Pettitt 2:10 CHED 378. Heavy element chemistry and peptide fragmentation: Where experiment and theory meet. P.B. Armentrout 2:50 CHED 379. Enhanced Monte Carlo methods for proteins and computation of absolute free energies of binding. I. Cabeza de Vaca, Y. Qian, J.Z. Vilseck, J. TiradoRives, W.L. Jorgensen 3:30 Intermission. 3:40 CHED 380. Processing simulation data to produce the observables seen by experimentalists facilitates effective collaboration. W.C. Swope, V.A. Piunova, A.C. Carr 4:20 CHED 381. Dynamic regulation of signaling pathways in dopamine neurons: the intracellular actions of amphetamines. S.G. Amara 5:00 CHED 382. Molecular dynamics and organic reaction mechanisms. K.N. Houk 5:40 Concluding Remarks.

S. A. Fleming, Organizer K. R. Caldwell, Presiding 8:30 Introductory Remarks. 8:35 CHED 390. Incorporation of benchtop NMR spectroscopy into undergraduate laboratories. J. Araneda, S. Riegel 8:55 CHED 391. Separation and quantification of liquid mixtures by a simple, cost-efficient GC-MS system. I.A. Beta, H.M. Gabor, B. Regel, S. Fleishner 9:15 CHED 392. Synthesis of alkylated derivatives of hydroxamic acids via a safe, rapid microwave-based procedure suitable for the undergraduate laboratory. C. Durand, T. Griffin-Blake, H. Shinsato, R.G. Aslanian 9:35 CHED 393. Chemistry in the arts: An interdisciplinary look at student-synthesized azo dyes. K.L. Yearty, C. Cortes, R.W. Morrison 9:55 Intermission. 10:10 CHED 394. Total synthesis of muscone for the advanced organic chemistry lab. B. Chandler 10:30 CHED 395. Synthesis of a naturally-occuring nitro compound by electrophilic aromatic substitution. J.M. Garcia 10:50 CHED 396. A simple method for the visualization of chair and twist-boat transition states in torsionally controlled addition reactions. A.J. Catino 11:10 Intermission. 11:25 CHED 397. A report on the implementation of organic chemistry REActivities at a four-year and a two-year institution. J.A. Cody, T.G. Goudreau Collison, J.P. Anderson, B.L. Edelbach, D. Newman, M. Jackson 11:45 CHED 398. Straightforward measures can be used to predict and enhance student performance in the one-year organic chemistry course sequence. K.R. Caldwell 12:05 CHED 399. Introduction of research into a large enrollment organic chemistry lab course. N.A. Eskew, C. Cruz

SECTION C

SECTION B

Seaport World Trade Center Cambridge 1/2

Seaport World Trade Center Waterfront Ballroom 3

Citizens First! Using Real-World Contexts for Engaging Students in Learning Chemistry

Green Chemistry Theory & Practice: Nanoscience, Nanotechnology & Beyond

Cosponsored by CEI Financially supported by Strem Chemicals, Inc. G. Clark, P. L. Daubenmire, Organizers, Presiding 1:30 Introductory Remarks. 1:35 CHED 383. Carbohydrates and cultural competence: Food for thought on developing labs for social change. G. Clark 1:55 CHED 384. School students assay iron with guava leaf extract combining local wisdom and green analytical methods. W. Wongwilai, K. Kiwfo, C. Saenjum, C.H. Bergo, K. Grudpan 2:15 CHED 385. Analytical chemistry students monitoring of Boston’s Muddy River and drinking water. A.E. Gerdon 2:35 CHED 386. Experimental-ludic contest: “Know the Periodic Table”, a Venezuelan experience. A. Torrealba, C.A. Urbina-Blanco 2:55 Intermission. 3:05 CHED 387. Balancing instructional and research goals in introductory chemistry and physics courses. Y. Kholod, D. Kosenkov 3:25 CHED 388. Chemistry + charisms: Linking lessons from introductory chemistry to the world beyond the classroom. B.L. Haas 3:45 CHED 389. Learning through eating: Students design a low carbon-footprint menu item. C.H. Middlecamp, T. Bryan

Cosponsored by CEI Financially supported by GCI; I&EC Green Chemistry J. E. Wissinger, Organizer E. J. Brush, Organizer, Presiding 8:30 Introductory Remarks. 8:35 CHED 400. Green microwave nano synthesis in undergraduate teaching labs. G. Dusharm 8:55 CHED 401. Low-cost experiment material for teaching of chemistry: A worthy alternative to regular laboratory material? L. Boegge, A. Lühken 9:15 CHED 402. A recyclable sol-gel catalyzed approach: Efficient one pot synthesis of α,α di-halogenated hetones. J.B. Domena, C. Chong, Y. Xing, B.P. Chauhan, Q.R. Johnson, G.K. Longia 9:35 Intermission. 9:50 CHED 403. Bismuth subsalicylate as a green catalyst for ROTEP polymerizations in the teaching lab. J.E. Wissinger, A.M. Luke, R. Bartz, D. Batiste 10:10 CHED 404. Tiny solutions for big problems: Development of a nanomaterials course for high school students focused on environmental concerns. M. Muzzio 10:30 CHED 405. Integrating green chemistry and chemical hazard awareness into organic chemistry lab curriculum. D. Ward, A.S. Cannon 10:50 Intermission.

SECTION B Seaport World Trade Center Waterfront Ballroom 3

GSSPC: Frontiers in Computational Chemistry: Bridging the Gap Between Theory & Experiment

SECTION C Seaport World Trade Center Cambridge 1/2

Facilitating Student Success in General Chemistry I Laboratory G. A. Brown Wright, Organizer, Presiding 8:30 Introductory Remarks. 8:35 CHED 408. General chemistry laboratory in the quarter format. E.L. Lebeau 8:55 CHED 409. Laboratory project: An activity to build critical thinking and problem-solving skills in general chemistry students. S. Toribio, S.J. Glinias, K.E. Kristian 9:15 CHED 410. Scaffold approach to teaching laboratory and writing skills in introductory chemistry courses. K.C. Murphy, J.G. Quattrucci, M. Dilip 9:35 CHED 411. Integrating authentic research, peer learning, and high-impact project work into the general chemistry laboratory. D.R. Brodeur, D. Heilman, U. Kumar 9:55 Intermission. 10:10 CHED 412. Designing integrated biology, chemistry, and engineering CURE and guided inquiry laboratory exercises for the general chemistry curriculum. D.E. Felton, P.L. Hartzell, M.M. Ederer, J. Moberly, K.V. Waynant 10:30 CHED 413. Exploring molecular origin of color through engaging introductory chemistry laboratory activities. L. Wang 10:50 CHED 414. Student perspectives on the helpfulness of resources provided for writing a formal general chemistry laboratory report. G.A. Brown Wright 11:10 Concluding Remarks.

Henkel Award for Outstanding Graduate Research in Polymer Chemistry: Symposium in honor of Aleksandr V. Zhukhovitskiy Sponsored by PMSE, Cosponsored by CHED‡, POLY‡ and PROF

WEDNESDAY AFTERNOON SECTION A Seaport World Trade Center Waterfront Ballroom 1A/1B

Research in Chemistry Education Financially supported by ACS DivCHED Committee on Chemistry Education Research H. Sevian, J. P. Walker, Organizers, Presiding 1:30 Introductory Remarks. 1:35 CHED 415. Students’ perceptions towards inquirybased general chemistry laboratory activities: A five-year study. M. Shahu, S.E. Ingram, S. Synnott, L. Winchester, Y. Tong 2:15 CHED 416. Identifying and studying some of the students’ misconceptions in Organic Chemistry. I. Salame 2:35 Intermission. 2:45 CHED 417. Metacognition in chemical education: Theory and practice. R. Lavi, G. Shwartz, Y. Dori 3:05 CHED 418. The Metacognitive Exam Tool to Help You Learn (METHYL) project for sophom*ore organic chemistry. S. Chamberland, M. Wathen, T. Morris 3:25 CHED 419. Why do chemists and chemical engineers choose these professions. Y.J. Dori, O. Shav-Artza 3:45 Intermission. 3:55 CHED 420. Chemistry teachers’ intentions and students’ epistemic agency in communicative patterns in the classroom. H. Sevian, O. Aguiar 4:15 CHED 421. Understanding authorship in undergraduate research partnerships. L. Abbott, A. Andes, A. Pattani, P.A. Mabrouk 4:35 CHED 422. Undergraduate students’ goals and achievement strategies for laboratory work: A quantitative study. S. Santos-Diaz, S. Hensiek, T. Owings, M.H. Towns 4:55 Concluding Remarks.

SECTION B Seaport World Trade Center Waterfront Ballroom 3

Green Chemistry Theory & Practice: Nanoscience, Nanotechnology & Beyond Cosponsored by CEI and IAC Financially supported by GCI; I&EC Green Chemistry E. J. Brush, Organizer J. E. Wissinger, Organizer, Presiding 1:30 Introductory Remarks. 1:35 CHED 423. UN sustainable development goals for the chemistry enterprise: Challenges and opportunities. E.J. Brush 1:55 CHED 424. Towards meeting the UN sustainability goals through green chemistry. N. Hawkins 2:35 Discussion. 2:55 Intermission. 3:10 CHED 425. An international perspective on incorporating sustainability education into science education during the UN Decade of Education for Sustainable Development. G.M. Bodner 3:30 CHED 426. A campus sustainability undergraduate research program for chemistry students. J.E. Kenny, A. Rappaport, P. Milne, J. Ng 3:50 CHED 427. 15 years of green: The green chemistry curriculum at Worcester State University. M. Dilip, K.C. Murphy, J. Nichols, M. Kerr 4:10 CHED 428. Consumer choices and the environmental effects. K.C. Murphy, J.G. Quattrucci, M. Dilip, J.R. Andreatta, S. Mitroka 4:30 Discussion.

SECTION C Seaport World Trade Center Cambridge 1/2

Alternate Assessment Methods M. C. Koether, Organizer, Presiding 1:30 Introductory Remarks. 1:35 CHED 429. Specifications grading in organic chemistry: Three years of student feedback. J.R. Ring 1:55 CHED 430. Organic chemistry lecture and laboratory with specification grading. J. Houseknecht 2:15 CHED 431. Comparison of specifications grading techniques at two different institutions and two different courses. Comparing organic chemistry and general chemistry. W. Hollinsed 2:35 CHED 432. Specifications grading in second semester general chemistry: Results of multiple attempts of quizzes throughout the semester. M.C. Koether 2:55 Intermission. 3:10 CHED 433. Resurrection points: A look at serval decades of using a grading system to encourage students to learn material and not worry about points. J.R. Pribyl, M. Hadley 3:30 CHED 434. Using an oral exam to enhance student learning and communication skills in an undergraduate instrumental analysis course. K.S. Wendling 3:50 CHED 435. An application of ChemAxon’s platform for education. A.D. Costache, E. Biró, E. Hoffmann, P. Szakács 4:10 CHED 436. Alternate assessments: On-line discussion boards in the sciences. M.C. Koether

THURSDAY MORNING SECTION A Seaport Boston Hotel Seaport Ballroom C

General Papers Lab Oriented Issues S. A. Fleming, Organizer S. K. Hurst, Presiding 8:30 Introductory Remarks. 8:35 CHED 437. A highly interdisciplinary cyclodextrinMOF experiment for the senior undergraduate chemistry laboratory. M. Levine, D.R. Jones, T. Mako 8:55 CHED 438. Symmetry and spectroscopy of paper models of fullerenes C60-C84 and Johnson solids. S.K. Hurst 9:15 CHED 439. Redeveloping chemistry laboratory exercises to bring state-of-the-art novel chemistry and mass spectrometry into the teaching laboratory. P.W. Fedick, R.M. Bain, K. Bain, R. Schrader, T. Mehari, C. Pulliam, S.T. Ayrton, R.G. Cooks 9:35 CHED 440. Teaching chemistry to an elementary school student, what works and what does not. A.S. Bayden 9:55 Intermission. 10:10 CHED 441. Role-playing to replace the traditional laboratory experiment. N. O’Connor, K. Mahmud

10:30 CHED 442. From the source: Student-centered guest lecturing in a chemical crystallography class. S. Zheng, Y. Chen, X. Wang, C. Hoffmann, A. Volkov 10:50 CHED 443. Community college outreach through crystallographic research. D.R. Manke 11:10 CHED 444. Using crystal structure data to introduce bioinorganic chemistry in a foundational inorganic chemistry course. A.L. Fernandez 11:30 Intermission. 11:45 CHED 445. Fluorescent universal pH indicator synthesized by students: A multi-level educational tool. M. Morgan, G. Ferguson 12:05 CHED 446. The kinetics of the cis-to-trans thermal isomerization of disperse orange: A simple undergraduate experiment for the physical chemistry lab. F. Bou-Abdallah 12:25 CHED 447. Development modifiable laboratory experiments for ligand screening of proteins using differential scanning fluorimetry. P.N. Brady 12:45 CHED 448. Petrochemical incorporation to grow material and characterization curricula: A new attempt to serve dual educational functions. M. Jiang

CHAS

Division of Chemical Health and Safety D. Decker and J. Pickel, Program Chairs

SUNDAY MORNING Moving the Safety Values of the ACS Forward Sponsored by PRES, Cosponsored by AGFD, ANYL, BIOL, BMGT, CA, CARB, CCS, CHAS‡, CINF, COLL, CPT, ENFL, ENVR, I&EC, ORGN, PROF and SCHB

SUNDAY AFTERNOON SECTION A Seaport Boston Hotel Seaport Ballroom A

Ask Dr. Safety: Safety Considerations in the Cannabis Industry Cosponsored by CCS‡ H. J. Elston, N. R. Langerman, Organizers, Presiding 3:30 Introductory Remarks. 3:35 CHAS 1. Cannabis Chemistry Subdivision - Promoting public safety through sensible science. A. Pham 4:00 CHAS 2. Anecdotal cannabis: Stories from the road. L. Pelger 4:25 CHAS 3. Ask Dr. Safety: Chemical and occupational safety in the cannabis industry. H.J. Elston, N.R. Langerman

Moving the Safety Values of the ACS Forward Sponsored by PRES, Cosponsored by AGFD, ANYL, BIOL, BMGT, CA, CARB, CCS, CHAS‡, CINF, COLL, CPT, ENFL, ENVR, I&EC, ORGN, PROF and SCHB

Innovations in Chemistry Supporting Strategic Human Health Risk Assessments Sponsored by AGRO, Cosponsored by CHAS and TOXI

MONDAY MORNING SECTION A Seaport Boston Hotel Seaport Ballroom A

Cannabis Nanotechnology, Genetics & Innovative Trends in Cannabis Production Cosponsored by AGFD N. Arora, B. J. Greene, J. Marcu, J. Payack, Organizers E. M. Pryor, Organizer, Presiding B. Greene, A. Pham, Presiding 8:00 Introductory Remarks. 8:05 CHAS 4. Complicating what is simple vs. simplifying what is complex: The two camps in cannabis safety. M. Lewis 8:30 CHAS 5. Bridging the cannabis safety gap: The need for an institute on cannabis for mental health and well-being. J. Roberts, J. Marcu, M. Wolfe 8:55 CHAS 6. Cannabis extraction and laboratory safety. J. Marcu, E.M. Pryor

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11:05 CHED 406. A progress report on a roadmap for green chemistry education. J. MacKellar, D.J. Constable, M.M. Kirchhoff 11:25 CHED 407. Green chemistry ACS-CPT supplement: Preparing students to meet the grand challenges of sustainability. K. Aubrecht, M. Bourgeois, E.J. Brush, J. MacKellar, J.E. Wissinger 11:45 Discussion.

TECHNICAL PROGRAM

CHAS/CINF 9:20 CHAS 7. The role of laboratories in ensuring safe and effective cannabis for consumers. J. Churchill, E.M. Pryor 9:45 CHAS 8. Heavy metal contaminants in cannabis: Regulation to remediation. C.J. Hudalla 10:10 Intermission. 10:20 CHAS 9. Alteratives to address cannabis intoxication in the workplace and clinical trials. J. Marcu, R.W. Phifer 10:45 CHAS 10. Testing cannabis in Massachusetts: Effects of sampling and testing methodology on a budding industry. B. Cassidy, E.M. Pryor 11:10 CHAS 11. Cannabis: The EXIT drug. U. Dhanabalan, E.M. Pryor 11:35 CHAS 12. Further evidence of the utility of cannabis as a substitute for opioids in pain management. E.M. Pryor

9:00 Introductory Remarks. 9:05 CHAS 26. Enhancing the culture of safety through good storytelling. M.B. Koza 9:30 CHAS 27. How personal stories can support safety training. D.M. Decker 9:55 CHAS 28. What’s the point of your story? K.P. Fivizzani 10:20 Intermission. 10:35 CHAS 29. Urban legends, fairytales and documentaries: Effective storytelling for safety education. H. Weizman 11:00 CHAS 30. Playing with fire. S.B. Sigmann 11:25 CHAS 31. An unknowing, unthinking, uncaring graduate student learns a lesson about safety. R.H. Hill

Reducing Uncertainty in Modeling the Environmental & Human Health Exposure to Agrochemicals

TUESDAY AFTERNOON

Sponsored by AGRO, Cosponsored by CHAS and ENVR

SECTION A

MONDAY AFTERNOON

Seaport Boston Hotel Seaport Ballroom A

SECTION A

Learning Laboratory Safety through Storytelling

Seaport Boston Hotel Seaport Ballroom A

Cosponsored by CCS S. B. Sigmann, Organizer R. Stuart, Organizer, Presiding 1:30 Introductory Remarks. 1:35 CHAS 32. The genres of scientific storytelling. R. Stuart 2:00 CHAS 33. Turning safety observations into messages. T.C. Gallagher, R. Brian, R. Stuart 2:25 CHAS 34. From storytelling to storymaking. R.M. Izzo 2:50 CHAS 35. Preserving Institutional History of Chemical Incidents. P.A. Reinhardt 3:15 Intermission. 3:30 CHAS 36. Using risk management techniques to improve situational awareness and accident reduction. R. Lippman 3:55 CHAS 37. Chemical safety information in PubChem. J. Zhang, P. Thiessen, A. Gindulyte, E. Bolton 4:20 CHAS 38. Using the chemical inventory system to create research articles that include safety information. R.N. Vernon, K.N. Lamb

Nanomaterials: Applications, Safety Considerations, & Implications for Human Health & the Environment Cosponsored by CCS‡ and I&EC D. M. Decker, J. M. Pickel, Organizers 1:00 Introductory Remarks. 1:05 CHAS 13. Role of the National Nanotechnology Initiative in the Safe and Responsible Development of Nanotechnology. M.A. Meador 1:30 CHAS 14. Nanotechnology: Where is it Today and is EHS a Part of Successful Commercialization. C.L. Geraci 1:55 CHAS 15. Back from the future: What nanotechnology can teach us about chemical safety today. K.M. Kulinowski

SECTION A Seaport Boston Hotel Seaport Ballroom A

CHAS Awards Symposium Cosponsored by CCS D. B. Walters, Organizer 2:30 Introductory Remarks. 2:35 CHAS 16. Looking forward: Fifty years experience in chemical safety. N.R. Langerman 3:00 CHAS 17. Zooming out: The future of chemicalresearch health and safety through a wide-angle lens. K.J. Brown 3:25 CHAS 18. Innovation transforming lives through the power of clean water. D.G. Schmidt 3:50 CHAS 19. Yale’s Safety Advisor Model for Supporting and Integrating Safety into Research. P.A. Reinhardt 4:15 CHAS 20. Fostering a culture of safety at the University of North Carolina at Chapel Hill. C.R. Brennan, N.A. Eskew 4:40 CHAS 21. Dow Lab Safety Academy: Lessons learned & future opportunities. L. Seiler

MONDAY EVENING SECTION A Boston Convention & Exhibition Center Exhibit Hall B2/C

Sci-Mix D. M. Decker, J. M. Pickel, Organizers 8:00 – 10:00 CHAS 22. Programmatic method for classifying chemicals according to California fire code. K.N. Lamb, R.N. Vernon CHAS 23. Chemical safety for laboratory animal handlers. C.R. Brennan CHAS 24. The development of a high pressure hydrogen gas generator as a replacement for hydrogen cylinders in the chemistry laboratory. R.V. Jones, F. Darvas CHAS 25. Division of Chemical Health and Safety information poster. J.M. Pickel

TUESDAY MORNING SECTION A Seaport Boston Hotel Seaport Ballroom A

Learning Laboratory Safety through Storytelling Cosponsored by CCS‡ R. Stuart, Organizer S. B. Sigmann, Organizer, Presiding

124

WEDNESDAY MORNING SECTION A Seaport Boston Hotel Seaport Ballroom A

Cannabis Nanotechnology, Genetics & Innovative Trends in Cannabis Production Cosponsored by AGFD N. Arora, B. J. Greene, J. Marcu, J. Payack, E. M. Pryor, Organizers K. Boyar, B. Greene, A. Pham, Presiding 8:00 Introductory Remarks. 8:05 CHAS 39. The role of innovative technologies in protecting cannabis consumer safety. J. Appen, J. Siegel 8:30 CHAS 40. Latest advances in cannabis production processes. M. Roggen 8:55 CHAS 41. From cannabinoids and terpenes to medicine and open data. N. Arora 9:20 CHAS 42. Exploring innovations in third party support of regulatory compliance and chemical safety in cannabis laboratories. E.M. Pryor, J. Marcu, A. Martinez 9:45 Intermission. 10:00 CHAS 43. Extraction and purification of researchgrade cannabinoids with supercritical CO2. N. Mortillaro 10:25 CHAS 44. The DRUID app to measure drug-induced impairment. M. Milburn, E.M. Pryor 10:50 CHAS 45. Medical cannabis pharmacogenomics. T. Parr, J. Marcu 11:15 CHAS 46. New Perspectives on Cannabis and the Endocannabinoids. A. Makriyannis, E.M. Pryor 11:50 Concluding Remarks.

1:30 Introductory Remarks. 1:35 CHAS 47. THC and its metabolites in blood: Public safety, regulatory, and scientific challenges in the context of cannabis DUI. A. Pham 2:05 CHAS 48. Innovations in cannabis potency testing for the non-expert. J. Payack, M. Diaz, E.M. Pryor 2:35 CHAS 49. Terpene chemistry and thermal byproducts. R.M. Strongin, J. Meehan-Atrash 3:05 Intermission. 3:20 CHAS 50. Terpene therapy. R.D. Zaklin 3:50 CHAS 51. Analytical SFC applications for the cannabis industry. J.P. Preston, S. Sadjadi 4:20 CHAS 52. Functionally high: Innovations in the pharmacological foundations of cannabis chemovars. E.B. Russo, M. Lewis, K. Smith 4:50 Concluding Remarks.

Pesticides & Chemophobia in the News: What You Need to Know as a Scientist & Consumer Sponsored by AGRO, Cosponsored by AGFD, CHAL, CHAS and ENVR

CINF

Division of Chemical Information R. Bienstock, Program Chair SOCIAL EVENTS: Reception & Poster Session, 6:30 PM: Sun Luncheon, 12:00 PM: Tue BUSINESS MEETINGS: Committee Meetings, 12:30 PM: Sat

SUNDAY MORNING SECTION A Westin Boston Waterfront Harbor Ballroom II

Chemoinformatic Approaches to Enhance Drug Discovery Based on Natural Products J. L. Medina-Franco,Organizer, Presiding N. Sánchez-Cruz,Presiding 8:30Introductory Remarks. 8:35CINF 1.Exploiting PubChem for drug discovery based on natural products. S. Kim, E. Bolton 9:00CINF 2.Connecting traditional with evidence-based medicine. T. Polgar 9:25CINF 3.Development of a “drug-like” natural product library from the East African flora. C. Simoben,F. Ntie-Kang, W. Sippl 9:50Intermission. 10:05CINF 4.Development of an innovative database to uncover chemical and biological information from Brazilian biodiversity. A.D. Andricopulo, M. Valli, A. Pilon, I. CastroGamboa, A. Dametto, M. Pinto, R. Freire, V.D. Bolzani 10:30CINF 5.Search of biased mu-opioid receptor ligands from nature. A. Madariaga, A.F. Marmolejo, K. Martinez Mayorga 10:55CINF 6.Predicting blood-brain barrier permeability of marine-derived kinase inhibitors. F. Plisson, A.M. Piggott, N. Hamilton, R.J. Capon 11:20CINF 7.Template-free 3D structure generation and conformer search: Complex natural products and macrocycles. A.N. Jain, A.E. Cleves

SECTION B

WEDNESDAY AFTERNOON

Westin Boston Waterfront Lewis

SECTION A

Reporting & Reproducibility of Chemistry Research Data

Seaport Boston Hotel Seaport Ballroom A

Cannabis Nanotechnology, Genetics & Innovative Trends in Cannabis Production Cosponsored by AGFD N. Arora, B. J. Greene, J. Marcu, J. Payack, E. M. Pryor, Organizers J. Bramante, B. Greene, A. Pham, Presiding

Cosponsored by ETHX and ORGN Financially supported by Chemical Structure Association Trust; IUPAC Committee on Publications and Cheminformatics Data Standards (CPCDS) M. G. Hicks, H. A. Lawlor, L. R. McEwen, V. F. Scalfani,Organizers, Presiding 8:30Introductory Remarks.

SECTION C Westin Boston Waterfront Harbor Ballroom III

Chemical Structure Searching for Patent Information Cosponsored by CHAL and CPRM R. J. Bienstock,Organizer E. N. Cheeseman, M. McBride, E. S. Simmons,Organizers, Presiding 8:30Introductory Remarks. 8:45CINF 15.Chemical structure searching for patents through the years. E.S. Simmons 9:15CINF 16.Same structure, different answers: Examining the impact of chemical indexing policy on retrieval of patent references. S.R. Adams 9:45CINF 17.Beyond the search: Deep analysis of chemical patents and Markush claims. J. Biagi, Á. Figyelmesi 10:15Intermission. 10:30CINF 18.State of chemical structure searching 30 years on OR The human element – the power behind structure searching in the CAS content collection. E.N. Cheeseman 11:00CINF 19.Chemical indexing and searching with Orbit Chemistry modules. A. Kandi-Masakidi 11:30CINF 20.Chemistry in patents: Unique perspectives within Derwent World Patents Index. S. Hajkowski

Moving the Safety Values of the ACS Forward Sponsored by PRES, Cosponsored by AGFD, ANYL, BIOL, BMGT, CA, CARB, CCS, CHAS‡, CINF, COLL, CPT, ENFL, ENVR, I&EC, ORGN, PROF and SCHB

SUNDAY AFTERNOON SECTION A Westin Boston Waterfront Harbor Ballroom II

Chemoinformatic Approaches to Enhance Drug Discovery Based on Natural Products J. L. Medina-Franco,Organizer, Presiding N. Sánchez-Cruz,Presiding 1:30CINF 21.Natural product databases: Chemical space, diversity and suitability of virtual screening. F. Saldivar, J. Medina Franco 1:55CINF 22.Characterization of the chemical space of purchasable natural products. Y. Chen, C. de Bruyn Kops, M. Garcia de Lomana, N. Friedrich,J. Kirchmair 2:20CINF 23.Exploring natural product analogs in chemical universe databases. M. Awale, J. Reymond 2:45Intermission. 3:00CINF 24.OpenZika: Discovery of new antiviral candidates against Zika virus. M. Mottin, A.S. Carvalho, C.C. Melo-Filho, B.J. Neves, R.C. Braga, C.S. Lima, S. da Silva, J.F. Shimizu, N.C. Mesquita, L.O. Regasini, A.C. Jardim, E. Muratov, G. Oliva, A.L. Perryman, S. Ekins, C.H. Andrade 3:25CINF 25.Designing synthetically accessible naturalproduct mimetics by machine learning. G. Schneider, L. Friedrich, F. Grisoni, D. Merk 3:50CINF 26.Similarity search and pharmacophore modeling approaches to aid natural products drug discovery against tropical infectious diseases. E. Pavadai, G. Kaur, P. Mutai, K. Chibale 4:15CINF 27.Identification of bichalcones as natural product sirtuin inhibitors by virtual screening andin vitrotesting. B. Karaman, Z. Alhalabi, S. Swyter, S. Mihigo, K. Andrae-Marobela, M. Jung, W. Sippl,F. Ntie-Kang 4:40Concluding Remarks.

SECTION B

Reporting & Reproducibility of Chemistry Research Data Cosponsored by ETHX and ORGN Financially supported by Chemical Structure Association Trust; IUPAC Committee on Publications and Cheminformatics Data Standards (CPCDS) M. G. Hicks, H. A. Lawlor, L. R. McEwen, V. F. Scalfani,Organizers, Presiding 1:30Introductory Remarks. 1:35CINF 28.Assessing the quality of scientific data. J. Rumble 2:00CINF 29.Scope of ELNs and repositories to improve scientific documentation and reporting: Examples taken from the Chemotion-ELN and Chemotion-Repository. N. Jung, P. Tremouilhac, S. Braese 2:25CINF 30.Bottom-up training in reproducible research: Undergraduate level approaches. A.C. Evans 2:50Intermission. 3:05CINF 31.Reproducibility in organic syntheses. R.L. Danheiser 3:30CINF 32.Progress in delivering transparency in research data by the National Center for Computational Toxicology at the US EPA. A.J. Williams, J. Edwards, C. Grulke, J. Cowden 3:55CINF 33.Better reporting for better measurements: Enzyme kinetics as a case study. W. Stroberg,S. Schnell 4:20CINF 34.Networking chemically capable robots using Twitter for RealTimeChem. L. Cronin, D. Caramelli, D. Salley 4:45Discussion.

SECTION C

CINF 47.Leveraging IUPAC recommendations for the ontological description of PubChem Data. K. Skinner, J. Rotne, S. Bagdadi, S.J. Chalk CINF 48.Text mining the IUPAC recommendations: Opportunities for knowledge discovery. J. Rotne, S.J. Chalk CINF 49.Symmetry and chirality analysis of substituted ferrocenes. A.W. Kaspi-Kaneti, I. Tuvi-Arad CINF 50.Cheminformatics-based differential modeling of dynamic ERK1/2-inhibitor interactions. J. Ash, J. HughesOliver, D. Fourches CINF 51.Data integration and fragment analysis reveal important structural motifs for ligand selectivity among hepatic organic anion transporting polypeptides. A. Türkova,B. Zdrazil CINF 52.Development of a taxonomy and indexing policy for InChI open education resources and publications. V.F. Scalfani,R.E. Belford CINF 53.Supporting the assessment of the purging of potential mutagenic impurities via analysis of known reactions. S.J. Webb, M. Burns, E. Rosser CINF 54.SynJet: A novel chemical dispensing platform for high throughput reaction screening and optimization. J.D. White, J.P. Malerich, S. Mallya, D. Stout, B. McCoy, D. Krieger, N. Collins

MONDAY MORNING SECTION A Westin Boston Waterfront Harbor Ballroom II

Ethics of Data Sharing

Cosponsored by CHAL and CPRM R. J. Bienstock,Organizer E. N. Cheeseman, M. McBride, E. S. Simmons,Organizers, Presiding 1:30Introductory Remarks. 1:45CINF 35.Structure searching for patent information: The need for speed. J. Mayfield, N.M. O’Boyle, R.A. Sayle 2:15CINF 36.Pros and cons of 22 million patent-extracted structures in PubChem. C. Southan 2:45CINF 37.Automating chemical structure and inhibition data extraction from patents: A text mining approach. A. Hinton 3:15Intermission. 3:30CINF 38.Searching for patent information in PubChem. S. Kim, P. Thiessen, A. Gindulyte, E. Bolton 4:00CINF 39.Navigating around patented routes with the help of computer-driven retrosynthetic analysis. K. Molga, P. Dittwald, B. Grzybowski 4:30CINF 40.Software for presenting results of chemical structure searches. J.A. Willmore

Cosponsored by ETHX‡ J. N. Currano, P. A. Mabrouk,Organizers, Presiding 8:30Introductory Remarks. 8:35CINF 55.Research integrity: Perspectives from the NSF Office of Inspector General. J. Kroll 9:00CINF 56.Connecting the dots between data management and research integrity. S. Moore 9:25CINF 57.Long term viability of computational chemistry/biology research. K.M. Merz 9:50CINF 58.Social aspects of chemical safety information. L.R. McEwen,R. Stuart 10:15Intermission. 10:25CINF 59.Computational analysis of publications’ texts for bioassay protocol classification. O. Tarasova, I.S. Mayorov, D. Filimonov, V. Poroikov, I. Mayzus, A. Rzhetsky 10:50CINF 60.Data sharing: Ethics in research. K.M. Elkins 11:15CINF 61.Crystallographic crime: Detection and prevention of fake data. A. Sarjeant, I. Bruno 11:40CINF 62.Chemistry data: Distortion and dissemination in the internet era. A.J. Williams 12:05Discussion. 12:25Concluding Remarks.

Moving the Safety Values of the ACS Forward

SECTION B

Sponsored by PRES, Cosponsored by AGFD, ANYL, BIOL, BMGT, CA, CARB, CCS, CHAS‡, CINF, COLL, CPT, ENFL, ENVR, I&EC, ORGN, PROF and SCHB

Publishing Chemical Data

Westin Boston Waterfront Harbor Ballroom III

Chemical Structure Searching for Patent Information

SUNDAY EVENING SECTION A Westin Boston Waterfront Galleria

CINF Poster Session E. Alvaro, S. J. Chalk,Organizers 6:30 – 8:30 CINF 41.Easy exploration of synthetically accessible chemical space via synthesis-aware enumeration. I. TubertBrohman, K.D. Konze, S. Bhat, S. Watts CINF 42.Computational approach towards understanding genotoxic and mutagenic biological pathways of azo dyes within organisms. R.J. Bienstock, L. Perera, M.A. Pasquinelli CINF 43.From just in case to just in time – just maybe not. P. Borrego, K. Zdepski CINF 44.Data visualization and analysis of the NIST TRC ThermoML Dataset. S. Bagdadi, K. Skinner, S.J. Chalk CINF 45.Combined computational chemistry and machine learning approach to assess the drug-likeness of fullerene nanostructures. B. Rasulev, N. Fjorodova CINF 46.Outlook on the development of antidiabetic compounds: Databases, scaffolds and current trends. A. Madariaga, K. Martinez Mayorga

Westin Boston Waterfront Lewis Cosponsored by ETHX and ORGN Financially supported by Chemical Structure Association Trust, IUPAC Committee on Publications and Cheminformatics Data Standards (CPCDS) M. G. Hicks, H. A. Lawlor, L. R. McEwen, V. F. Scalfani,Organizers, Presiding 8:30Introductory Remarks. 8:35CINF 63.Publication of raw and curated NMR spectroscopic data for organic molecules. C. Steinbeck 9:00CINF 64.Publishing spectral data in the cloud. G.M. Banik, K. Kunitsky, M. D’Souza, T. Abshear 9:25CINF 65.Flow of experimental thermophysical and thermochemical data through the NIST Thermodynamics Research Center. D. Riccardi, A. Kazakov, S. Townsend, V. Diky, C. Muzny, K. Kroenlein 9:50CINF 66.Web Force-Field (WebFF) Project: Molecular dynamics force-field repository for soft materials at multiple levels of granularity. F.R. Phelan, H. Sun 10:15Intermission. 10:30CINF 67.Reciprocal journal-to-chemistry connectivity in PubChem from the IUPHAR/BPS Guide to Pharmacology and other sources. C. Southan, J.L. Sharman, E. Faccenda, A.J. Pawson, S.D. Harding, J.A. Davies 10:55CINF 68.Open data in chemistry: The fast track to scientific content. J. Eiblmaier, D. Geppert, H. Saller

Westin Boston Waterfront Lewis

125

TECHNICAL PROGRAM

8:35CINF 8.The internet of molecules. S. Boyer 9:00CINF 9.Reaction networks analysis for algorithmic process development. A. Lapkin, P. Jacob 9:25CINF 10.International chemical identifier for reactions (RInChI): The key to managing reaction databases effectively. J.M. Goodman, G. Blanke, G. Grethe, H. Kraut 9:50CINF 11.De factostandard or a free-for-all? A benchmark for reading SMILES. N. O’Boyle, J. Mayfield, R.A. Sayle 10:15Intermission. 10:30CINF 12.Reporting crystal structure data: Recent insights. C. Tovee, S. Ward, A. Sarjeant, I. Bruno 10:55CINF 13.Extending machine learning capabilities for semi-automated annotation of biological assays in BioAssay Express. P. Gedeck, H. McGinty, B.A. Bunin, A. Clark 11:20CINF 14.Blockchain for research. J. van Rossum 11:45Discussion.

TECHNICAL PROGRAM

CINF/TOXI 11:20CINF 69.Research data management using FAIR data repository with integrated machine learning. V. Tkachenko, B. Sattarov, A. Korotcov, R. Zakharov 11:45CINF 70.SynOne - The use of an expert-defined chemical-compound class taxonomy to map organic synthesis articles from the chemistry literature. F. Shortt de Hernandez, T. Menke, J. Rochlitz

MONDAY EVENING SECTION A Boston Convention & Exhibition Center Exhibit Hall B2/C

Sci-Mix

Growing with Project SEED: 50 years and 10,000+ Students

R. J. Bienstock,Organizer 8:00 – 10:00 41-48,50-54. See previous listings.

Sponsored by PRES, Cosponsored by AGFD, AGRO, ANYL, BIOL, BMGT, CARB, CINF, COLL, ENFL, ENVR, HIST, I&EC, ORGN, PROF and SCHB

TUESDAY MORNING

MONDAY AFTERNOON

Westin Boston Waterfront Harbor Ballroom II

SECTION A Westin Boston Waterfront Harbor Ballroom II

Where are the Standards: Biologics Registration & HELM Representation of Biologics: Informatics Standards & Challenges C. Bellamy, E. Bolton, D. Deng,Organizers, Presiding 1:30Introductory Remarks. 1:35CINF 71.HELM: Continuing to set the standard for biomolecular representation. S. Rotstein 2:00CINF 72.Current development and new challenges of HELM representation. D. Deng, T. Yuan, J. Lee, R. Hotchandani 2:25CINF 73.Registering chemically modified oligonucleotides: Implementations and challenges. Y. Potier 2:50Intermission. 3:00CINF 74.Similarity analysis of oligonucleotides based on HELM notation. M. Weisser 3:25CINF 75.monomer.org: The global hub for (bio) polymer informatics. D.J. Milton 3:50CINF 76.Trials and tribulations of curating peptide and antibody ligands for the IUPHAR/BPS Guide to Pharmacology. C. Southan, J.L. Sharman, E. Faccenda, A.J. Pawson, S.D. Harding, J.A. Davies 4:15Intermission. 4:25CINF 77.Building a bridge between human-readable and machine-readable representations of biopolymers. N. O’Boyle, R.A. Sayle 4:50CINF 78.Bridging the gap between small molecule and biologics editing: Drawing, viewing and sharing complex biomolecules with BioEddie and BiomoleculeToolkit. A.D. Costache, R. Knispel 5:15Concluding Remarks.

SECTION B Westin Boston Waterfront Lewis

Publishing Chemical Data Cosponsored by ETHX and ORGN Financially supported by Chemical Structure Association Trust, IUPAC Committee on Publications and Cheminformatics Data Standards (CPCDS) M. G. Hicks, H. A. Lawlor, L. R. McEwen, V. F. Scalfani,Organizers, Presiding 1:30Introductory Remarks. 1:35CINF 79.Publishing chemical data in public data repository. J. Zhang, P. Thiessen, A. Gindulyte, E. Bolton 2:00CINF 80.ChEMBL – encouraging deposition of drug discovery data. A. Gaulton, P. Bento, J. Chambers, E. Felix, A. Hersey, D. Mendez, J.F. Mosquera, P. Mutowo, M. Nowotka, A. Leach 2:25CINF 81.Data sharing and publication at NIST. R.J. Hanisch 2:50CINF 82.Publishing chemical data sustainably: A crystallographic case study. I. Bruno, A. Sarjeant 3:15CINF 83.Documenting chemical data. P. Linstrom 3:40Intermission. 3:55CINF 84.Profiling common types of data in chemistry research articles: What has changed in five years? Y. Li 4:20CINF 85.Publication data standards and Supporting Information review atOrganic Letters. A.M. Hunter 4:45CINF 86.Sustainable processes for chemical data publishing – our experiences as a society publisher. R. Kidd,G. Jones 5:10CINF 87.Enabling FAIR data in the Earth and space sciences. S. Stall, K. Lehnert, L. Wyborn, E. Robinson, H. Glaves, M. Parsons, B. Hanson, J. Cutcher-Gershenfeld, B. Nosek, L. Yarmey

126

SECTION A

Skolnik Symposium: De Novo Design G. Schneider,Organizer, Presiding 9:00CINF 88.Molecular recognition studies to advance structure-based drug design. F.N. Diederich 9:25CINF 89.Computer-aided discovery of enzyme inhibitors. W.L. Jorgensen 9:50CINF 90.Massive computational docking experiments to identify noble gases target for new ‘atomic drugs’. D.A. Winkler, A. Thornton, G. Farjot, I. Katz 10:15Intermission. 10:30CINF 91.Progression saturation analysis of analog series using virtual candidate compounds. J. Bajorath 10:55CINF 92.Novel method proposing chemical structures with desirable profile of activities based on chemical and protein spaces. K. Funatsu 11:20CINF 93.Chemography: Toward “universal” maps of drug-like space. A. Varnek

SECTION B Westin Boston Waterfront Lewis

Chemistry Librarians of the Future Cosponsored by CHED J. R. Garritano, L. R. McEwen, V. F. Scalfani,Organizers, Presiding 8:20Introductory Remarks. 8:25CINF 94.History and perspective of chemical information services: Time for a return to the library chemist. V.F. Scalfani 8:50CINF 95.Reimagining chemistry librarianship: From the bench to the stacks. N. Ruhs 9:15CINF 96.Changing the landscape of the chemistry librarianship. N. Bharti 9:40Intermission. 9:55CINF 97.Ten plus years as a chemistry librarian, where have they gone? J. Carver 10:20CINF 98.Pre- and post-research group selection: Evolving roles for chemistry librarians. K. Deards,S. Jeong 10:45CINF 99.Nobody else is doing it: Teaching opportunities for the chemistry librarian of the future. J.N. Currano 11:10CINF 100.New models for chemistry library impacts through an international symposium. M.C. Schlembach, B.J. McCall 11:35Discussion.

TUESDAY AFTERNOON SECTION A Westin Boston Waterfront Harbor Ballroom II

Skolnik Symposium: De Novo Design G. Schneider,Organizer, Presiding 1:30CINF 101.Artificial Intelligence in drug design. K. Baringhaus 1:55CINF 102.Robot scientists: Automating drug design. R.D. King 2:20CINF 103.Accelerating drug discovery through a fully automated Design-Make-Test-Analyze workflow. M. Kossenjans 2:45Intermission. 3:00CINF 104.Data-driven drug discovery and repositioning by machine learning methods. Y. Yamanishi 3:25CINF 105.Pattern recognition on neuromorphic hardware inspired by the chemical sense. M. Schmuker 3:50CINF 106.Rethinking molecular design. G. Schneider

SECTION B Westin Boston Waterfront Lewis

Chemistry Librarians of the Future Cosponsored by CHED J. R. Garritano, L. R. McEwen, V. F. Scalfani,Organizers, Presiding 1:30Introductory Remarks. 1:35CINF 107.Workflows for scholarly communication and knowledge creation: Building partnership between researchers and librarians of the future. Y. Li 2:00CINF 108.Chemistry librarians and disciplinary data repositories working in partnership. I. Bruno, A. Sarjeant, L. Palumbo, C. Castle 2:25CINF 109.Science librarians and the future of open science. D. Wrublewski, G.P. Clement, T.E. Morrell 2:50Intermission. 3:05CINF 110.Hiring a post-doc in chemistry data curation within a research library: The strategies and complexities. J. Laherty 3:30CINF 111.Chemistry librarians as future managers and leaders. J.R. Garritano,A.B. Twiss-Brooks 3:55CINF 112.Building chemistry research collections in the 21stcentury is a cooperative, collaborative effort. G. Baysinger 4:20CINF 113.Stewarding chemical research through standards development: A chemistry librarian’s feast. L.R. McEwen,E. Hepler-Smith 4:45CINF 114.Reaxys education. R.E. Belford 5:10Discussion.

WEDNESDAY MORNING SECTION A Westin Boston Waterfront Harbor Ballroom II

Move Away from the Lamppost & Find Druggable Targets R. Guha,Organizer T. I. Oprea,Organizer, Presiding 8:30Introductory Remarks. 8:35CINF 115.AI-driven target selection in drug discovery - exploring the undiscovered country. T.I. Oprea, O. Ursu, C.G. Bologa 9:00CINF 116.Beyond journal articles – extracting bioactivity data from patents. A. Gaulton, E. Cibrián Uhalte, P. Magarinos, G. Papadatos, A. Leach, T.I. Oprea 9:25CINF 117.Putting hard numbers on druggability: Comparing the IUPHAR/BPS Guide to Pharmacology with other chemistry-mapped sources in Swiss-Prot. C. Southan, J.L. Sharman, A.J. Pawson, S.D. Harding, E. Faccenda, J.A. Davies 9:50Intermission. 10:00CINF 118.Open targets: An innovative public-private partnership to deliver more sustainable target selection for drug discovery. A. Leach, I. Dunham,D. Hulcoop, A. Hersey, A. Gaulton, P. Magarinos 10:25CINF 119.Computational methods help find chemical matter to uncover novel biology. Y. Wang, J.L. Jenkins 10:50CINF 120.Integrative informatics approaches for unraveling the mysteries of rare diseases: Shedding the light on Potocki-Shaffer syndrome. R. Hajjo 11:15CINF 121.How to present knowledge about dark targets from 60 data sources and 10 data types. T. Sheils, D. Nguyen,R. Guha, N. Southall 11:40Concluding Remarks.

SECTION B Westin Boston Waterfront Lewis

Machine Learning Scoring Functions S. Sirimulla,Organizer, Presiding 8:30CINF 122.Protein–ligand absolute binding affinity prediction via 3D-convolutional neural networks. G. De Fabritiis 8:55CINF 123.Two faces of machine learning scoring functions - model complexity vs feature engineering. M. Wojcikowski, M. Kukielka, M. Stepniewska-Dziubinska, P. Siedlecki 9:20CINF 124.Hydrogen bonding:Ab initioaccuracy from fast interatomic Gaussian approximation potentials. M. Öeren, G. Csanyi, D.J. Ponting, P. Hunt, M.D. Segall 9:45CINF 125.Artificial intelligence for predicting molecular electrostatic potentials (ESPs): A step towards developing ESP-guided knowledge-based scoring functions. M. Verdonk, R. Lewis, A. Bender, P.C. Rathi 10:10Intermission.

SECTION C Westin Boston Waterfront Harbor Ballroom III

Semantics in Chemistry Vocabulary & Terminology S. J. Chalk, L. R. McEwen,Organizers, Presiding 8:30Introductory Remarks. 8:35CINF 130.Semantic properties and units for chemistry. S.J. Chalk 9:00CINF 131.Data standards, formal ontologies and software tools to facilitate integration, classification and modeling of drug discovery data. S.C. Schürer, J. Zheng, J. Turner, A. Koleti 9:25CINF 132.Towards an IUPAC ontology for chemistry. S.J. Chalk 9:50CINF 133.ChemOnt: A semantic-based ontology for chemical and biological data integration. Y. Djoumbou Feunang, D. Wishart, N. Karu, A. Marcu, E. Lo, A. Guo 10:15CINF 134.From text mining to knowledge: PubChem knowledge panels provide synopsis of chemical, gene, protein and disease term co-occurrences in biomedical literature. L. Zaslavsky, A. Gindulyte, P. Thiessen, E. Bolton 10:40Intermission. 10:55CINF 135.OntoloBridge: A semi-automated ontology update request system. J. Turner, A. Clark, H. McGinty, B.A. Bunin, S.C. Schürer 11:20CINF 136.Semantic representation of crystallography experiments. I. Bruno, A. Sarjeant 11:45CINF 137.Ontology design patterns for laboratory chemical process hazards. L.R. McEwen, C. Shimizu, M. Sarkar 12:10Discussion.

WEDNESDAY AFTERNOON SECTION A Westin Boston Waterfront Harbor Ballroom II

The More the Merrier: Combine Drugs Together R. Guha, A. Zakharov,Organizers, Presiding 1:30Introductory Remarks. 1:35CINF 138.Understanding drug and compound combinations and modelling synergy – Methods and applications. A. Bender 2:05CINF 139.Computational approach to HIV-1 drug resistance prediction based on relationships between viral genotype and combination of antiretroviral medicines. O. Tarasova, D.E. Kireev, D. Filimonov, V. Poroikov 2:35CINF 140.Chemical mixture evaluation using molecular-weight corrected fingerprints. O. Ursu, C.G. Bologa,T.I. Oprea 3:05Intermission. 3:20CINF 141.SynergySeq – Integration of disease and perturbation gene expression data to prioritize synergistic drug combinations in cancer. S. Schürer, V. Stathias, A. Jermakowicz, N. Ayad 3:50CINF 142.SSR: Structure-synergy relationships. L. Chen, K. Wilson, M.D. Hall, R. Guha 4:20CINF 143.Novel computational approach for predicting drug-carrier formulations of poorly soluble drugs. V.M. Alves, D. Hwang,E. Muratov, M. Sokolsky-Papkov, E. Varlamova, N. Vinod, C.C. Melo-Filho, R. Marreto, S. Taveira, C.H. Andrade,A. Tropsha, A. Kabanov 4:50Concluding Remarks.

SECTION B Westin Boston Waterfront Lewis

Reaction Analytics F. van den Broek,Organizer, Presiding 1:30Introductory Remarks. 1:35CINF 144.Brief history of reaction analytics. F. van den Broek

2:00CINF 145.Automatic discovery and enumeration of new tactical combinations. S. Szymkuc, E. Gajewska, M. Startek, P. Dittwald, B. Grzybowski 2:25Intermission. 2:40CINF 146.Retrosynthetic software for practicing chemists: Novel and efficientin silicopathway design validated at the bench. L. Rickershauser 3:05CINF 147.Learning to plan chemical syntheses. M. Segler,M. Waller 3:30Intermission. 3:45CINF 148.Powerful algorithms in CASD systems: How important is the quality of the underlying data? Overview of results obtained with a transform library approach. V. Eigner Pitto, M.G. Hutchings, H. Saller 4:10CINF 149.Exploring the use of conditional generative adversarial networks (cGAN) to analyze chemical reactions via electron density fields. M. Clark

SECTION C Westin Boston Waterfront Harbor Ballroom III

Drug Discovery: Cheminformatic Approaches E. Davis,Organizer, Presiding 1:30CINF 150.Bringing assay protocols into the age of informatics. A. Clark 1:55CINF 151.Library enhancement through performance analysis of different components of high-throughput screening library against a variety of targets. A. Saha, M.D. Hack, T. Mirzadegan 2:20CINF 152.Chemical intelligence that makes hidden knowledge effortlessly reachable. J. David, A. Tarcsay, G. Imre 2:45CINF 153.Statistical-based database fingerprint: Application in ligand-based virtual screening. N. SánchezCruz, J. Medina Franco 3:10Intermission. 3:20CINF 154.Rational solvent selection in asymmetric hydrogenation using molecular descriptors and machine learning. Y. Amar, A.M. Schweidtmann, P.P. Deutsch, A. Lapkin 3:45CINF 155.Phenotypic screening aided by multitask prediction methods. A. de la Vega de León, V.J. Gillet 4:10CINF 156.CCCTK: High performance molecular informatics toolkit for the design of anti-cancer molecule. M. Karthikeyan

THURSDAY MORNING SECTION A Westin Boston Waterfront Grand Ballroom A

Drug Discovery: Cheminformatic Approaches Cosponsored by AGRO E. Davis,Organizer, Presiding 8:30CINF 157.Implementing genetic algorithms and evolutionary strategies in conformer analysis. N. Harms, R.H. West 8:50CINF 158.Predicting accumulation in Gram-negative bacteria to design better antibiotics. B. Drown, M. Richter, P.J. Hergenrother 9:10CINF 159.Gearing transcriptomics towards highthroughput screening: Compound shortlisting from gene expression usingin silicoinformation. N. Aniceto,A. Bender, F. Nigsch 9:30CINF 160.How to achieve better results using ligand-based virtual screening of big chemical databases. P. Pogodin, A. Lagunin, A. Rudik, D. Filimonov, D. Druzhilovskiy, M.C. Nicklaus,V. Poroikov 9:50Intermission. 10:05CINF 161.Making virtual REAL: Expansion of the synthetically feasible chemical space. Y. Moroz 10:25CINF 162.NextMove for Chemspace: Millisecond search in a database of 100 million structures. O. Gavrylenko, Y. Moroz, R.A. Sayle, J. Mayfield 10:45CINF 163.Automated workflow for reproducible analysis of protein-ligand scoring functions. D. Castaneda Mogollon, S. Sirimulla, M. Hassan 11:05CINF 164.Driving efficiency and innovation in life sciences R&D. J.F. Donahue 11:25CINF 165.Analysis of anti-flavivirus and antienterovirus activity based on ViralChEMBL data. A. Orlov, A. Nikitina, V. Palyulin, D.I. Osolodkin

SECTION B Westin Boston Waterfront Lewis

Reaction Analytics F. van den Broek,Organizer, Presiding 8:30CINF 166.Machine learning and continuous flow: Detection and correction of flow-incompatible reaction conditions. P.P. Plehiers, C.W. Coley, W.H. Green, G.B. Marin, C.V. Stevens, K. Van Geem 8:55CINF 167.Predicting reaction conditions for computergenerated SAVI reactions by machine learning from reaction databases. V. Delannée, M.C. Nicklaus 9:20Intermission. 9:35CINF 168.Using machine learning to recommend suitable conditions for organic reactions. H. Gao, T. Struble, C.W. Coley, W.H. Green, K.F. Jensen 10:00CINF 169.Analysing matched molecular pair transformations in drug discovery projects as a function of time and molecular environment. S. Ashenden, T. Kogej, O. Engkvist, E. Rivers, A. Madin, K. Goldberg, I. Storer,A. Bender 10:25Intermission. 10:40CINF 170.Regioselectivity: An application of expert systems and ontologies to chemical (named) reaction analysis. R.A. Sayle, J. Mayfield, T. Blaschke, N.M. O’Boyle 11:05CINF 171.Representing organic reactions through InChI differences. M.A. Walker,J. Paliakkara 11:30CINF 172.Automatically finding and fixing mistakes in detailed kinetic models of combustion. N. Harms, R.H. West

TOXI

Division of Chemical Toxicology T. Spratt, Program Chair SOCIAL EVENTS: Reception, 6:30 PM: Tue BUSINESS MEETINGS: Business Meeting, 8:30 PM: Tue

SUNDAY MORNING SECTION A Westin Boston Waterfront Marina Ballroom I

Translesion DNA Polymerases Z. Suo, Organizer, Presiding 8:30 Introductory Remarks. 8:35 TOXI 1. Mechanisms to coordinate multiple DNA polymerases for TLS. M.A. Trakselis 9:15 TOXI 2. Explosive mutation accumulation triggered by heterozygous human Pol ε proofreading-deficiency is driven by suppression of mismatch repair. Z.F. Purcell 9:55 Intermission. 10:10 TOXI 3. Finding their way: How error-prone polymerases gain access to the bacterial replisome. J.J. Loparo 10:50 TOXI 4. Mechanistic basis for the bypass of a bulky DNA adduct catalyzed by a Y-family DNA polymerase. R. Vayas, G. Efthimiopoulos, J. Tokarsky, C. Malik, A.K. Basu, Z. Suo

SUNDAY AFTERNOON SECTION A Westin Boston Waterfront Marina Ballroom I

Founders’ Award Cosponsored by PROF J. L. Bolton, Organizer, Presiding 1:00 Introductory Remarks. 1:10 TOXI 5. Biological targets of electrophilic furan metabolites. L.A. Peterson 1:50 TOXI 6. Mass spectrometry studies of DNA and protein adducts of reactive electrophiles. N.Y. Tretyakova 2:30 TOXI 7. Electrophilic targeting of Keap1/Nrf2 signalling for disease prevention and treatment. A. DinkovaKostova, T. Honda, A.Y. Abramov

127

TECHNICAL PROGRAM

10:20CINF 126.Deep learning based scoring function for predicting protein-ligand binding affinities. M. Hassan, D. Castaneda,S. Sirimulla 10:45CINF 127.Evaluating lead optimization performance of a structure-based convolutional neural network. A. Heifets, M. Mysinger, I. Wallach, K.T. Nguyen 11:10CINF 128.Mechanism-of-action elucidation using deep convolutional neural networks. A. Rossi, I. Wallach, M. Mysinger, K.T. Nguyen, A. Heifets 11:35CINF 129.Simulated playground for evaluating machine-learning algorithms for bioactivity prediction. J. Thompson, S. Schrodl, M. Mysinger, I. Wallach

TECHNICAL PROGRAM

TOXI/CHAL 3:10 Intermission. 3:25 TOXI 8. Chasing rainbows? Targeted covalent ligand design guided by precision electrophile signaling technologies. Y. Aye 4:05 TOXI 9. Botanicals electrophiles modify multiple targets. J.L. Bolton

Innovations in Chemistry Supporting Strategic Human Health Risk Assessments Sponsored by AGRO, Cosponsored by CHAS and TOXI

MONDAY MORNING SECTION A Westin Boston Waterfront Marina Ballroom I

Student/Post-Doc E. G. Prestwich, U. Sarkar, Organizers, Presiding 8:00 TOXI 10. Repair and processing of DNA lesions induced by a dynamic electrophile. S. Byrne, K. Yang, S. Rokita 8:20 TOXI 11. Mechanisms of bioactivation of the tobacco carcinogens and 2-amino-9H-pyrido[2,3-b]indole (AαC) and 4-aminobiphenyl (4-ABP) in human bladder. M. Bellamri, L. Yao, R. Turesky 8:40 TOXI 12. Development of a novel approach for measuring N’-nitrosnornicotine bioactivation in humans by using deuterium-labeled analogs. E. Carlson, A. Goode, V. Gurvich, I. Stepanov, V. Jain, P. Upadhyaya, S.S. Hecht 9:00 TOXI 13. Scheduled LC-SRM method for targeted DNA adductome analysis. Y. Cui, P. Wang, Y. Wang 9:20 Intermission. 9:30 TOXI 14. Significant impact of divalent metal ions on the fidelity, sugar selectivity, and drug incorporation efficiency of human PrimPol. J. Tokarsky, P. Wallenmeyer, K. Phi, Z. Suo 9:50 TOXI 15. Incorporating histone H2A variants facilitates global excision of uracil residues in nucleosomes. C. Li, S. Delaney 10:10 TOXI 16. Integrating multi-“omics”- mass spectrometry-based methods to characterize electronic cigarette exposure in humans. R.P. Dator, P.W. Villalta, C.J. Hooyman, L.A. Maertens, S. Balbo 10:30 TOXI 17. The C’5-pseudouridinyl radical. I. Sappy 10:50 Intermission. 11:00 TOXI 18. Transcriptional inhibition and repair mechanism of alkyl phosphotriester DNA adducts in mammalian cells. Y. Tan, J. Wu, Y. Wang 11:20 TOXI 19. Mass spectroscopy-based metabolomics reveals new insights on the biological effects of copper oxide nanoparticles in a human colon carcinoma cell line. N.G. Chavez Soria, D.S. Aga, G. Atilla-Gokcumen 11:40 TOXI 20. Sensitive method for quantitation of abasic sites in isolated and cellular DNA by electrospray ionization tandem mass spectrometry. H. Chen, C.J. Rizzo, R.J. Turesky

MONDAY AFTERNOON SECTION A Westin Boston Waterfront Marina Ballroom I

Chemical Toxicology of Nanomaterials S. Balbo, Organizer, Presiding 1:00 Introductory Remarks. 1:05 TOXI 21. Future of nanotoxicology research: Filling knowledge gaps to safeguard health. A. Elder 1:45 TOXI 22. Investigation of toxicity mechanism of nanoscale lithium battery material NMC to bacterial models. V. Feng 2:25 TOXI 23. Size, surface chemistry and reactivity – all matter as toxicity determinants of fibrous nanomaterials. A.A. Shvedova 3:05 Intermission. 3:20 TOXI 24. DNA methylation alterations by nanoparticles. L. Godderis 4:00 TOXI 25. Nanomaterial induced mechanisms: Focus on nano cell interactions. A. Kraegeloh

MONDAY EVENING SECTION A Boston Convention & Exhibition Center Exhibit Hall B2/C

Sci-Mix T. Spratt, Organizer 8:00 – 10:00

128

37-38, 40, 43-44, 48, 53, 56-57, 59, 64, 67, 70, 76, 78-79, 81-83, 90. See subsequent listings.

TUESDAY MORNING SECTION A Westin Boston Waterfront Marina Ballroom I

Mechanisms of Binding, Transport & Biotransformation of Toxic Metals Cosponsored by INOR B. P. Rosen, Organizer, Presiding 8:30 TOXI 26. Mechanisms of binding, transport & biotransformation of toxic metals. T. Pinter, L. Ruckthong, c. ervin, V.L. Pecoraro 9:15 TOXI 27. ArsI, a C-As lyase for degradation of environmental organoarsenicals. V.S. Nadar, M. Yoshinaga, B.P. Rosen 10:00 TOXI 28. Understanding the mechanism of carbonmetal bond cleavage by the organomercurial lyase MerB. H. Wahba, M. Stevenson, D. Wilcox, J.G. Omichinski 10:45 TOXI 29. Interplay of copper transport proteins in the processing of platinum anticancer drugs in the cell. N. Dolgova, C. Yu, O. Dmitriev

TUESDAY AFTERNOON SECTION A Westin Boston Waterfront Marina Ballroom I

Chemical Research in Toxicology Young Investigator Award W. Chan, Organizer, Presiding 1:00 Introductory Remarks. 1:10 TOXI 30. Oxidized polyunsaturated fatty acids: Are they toxic or bioactive? J. Lee 1:50 TOXI 31. Antibiotics induce nitrosative stress in microorganisms. C.T. Chan 2:30 Intermission. 2:45 TOXI 32. Advances in human biomonitoring of carcinogens by ion trap and high resolution accurate mass spectrometry. R. Turesky 3:25 TOXI 33. Chemical approaches to investigate the toxicity of aristolochic acids. W. Chan

SECTION A Westin Boston Waterfront Marina Ballroom I

Keynote Lectures T. Spratt, Organizer N. E. Geacintov, Presiding 4:30 Introductory Remarks. 4:40 TOXI 34. Linking mutational spectra of chemical carcinogens to the mutational patterns seen in human tumors. J. Essigmann, B.I. Fedeles

TUESDAY EVENING SECTION A Westin Boston Waterfront Galleria

Posters T. Spratt, Organizer 7:00 – 9:00 TOXI 35. Prediction of carcinogenic behavior of hexacyclic polycyclic aromatic hydrocarbons using aromatic sextet theory and ionization potentials. J.O. Ona Ruales TOXI 36. Toxic effects and molecular mechanism of silver nanoparticles to Daphnia magna. J. Hou TOXI 37. Modified 3-deaza-3-alkyl-adenosines as minor groove alkylation mimics in translesion DNA synthesis. L.J. Weselinski, V. Begoyan, G. Kenyon, M. Tanasova TOXI 38. Ultrasensitive high-resolution mass spectrometric analysis of methyl DNA phosphate adducts in human lung. B. Ma, P.W. Villalta, J.B. Hochalter, I. Stepanov, S.S. Hecht TOXI 39. Screening for DNA adducts in human colon by high-resolution nano-ESI UHPLC/MSn. D. Konorev, R. Turesky TOXI 40. Application of an in silico tool for the risk assessment of an industrial process compliant to ICH M7 guidelines. M. Burns, M. Ott, S.J. Webb TOXI 41. Methylation in human hemoglobin is associated with age as analyzed by liquid chromatography tandem mass spectrometry. H.C. Chen, S. Ip TOXI 42. Characterizing uracil DNA glycosylase processivity in nucleosome core particles. E. Kennedy, S. Delaney

TOXI 43. Structural and dynamic impact of single ribonucleotide incorporation on nucleosome structure. I. Fu, D. Smith, S. Broyde TOXI 44. Identification of photo-degradation products of nitroguanidine and toxicological implications. L. Moores, A. Kennedy, K.A. Gust, M.K. Shukla, L.K. Rabalais, D.L. Henderson, S.J. Jones TOXI 45. Gallic acid derivatives inhibit DNA repair enzyme ALKBH2. Q. Tang, F. Chen, H. Ma, K. Bian, D. Li TOXI 46. Conformation-specific replication block from bulky 4-aminobiphenyl-modified DNA lesions. A. Cai, K. Bian, F. Chen, D. Li, B. Cho TOXI 47. Mutagenicity of DNA-peptide crosslink in human cells. S. Naldiga, S. Ji, G. Moldovan, N.Y. Tretyakova, A.K. Basu TOXI 48. Efficiency of initiating base excision repair on nucleosome substrates. A. Garlow, S. Delaney TOXI 49. Replication studies of N3-methyladenine in Escherichia coli cells. J. Yuan, Y. Wang TOXI 50. Unmasking the role of protein modification in the observed toxicity of aristolochic acid. C. Chan, W. Chan TOXI 51. Adverse reactions induced by the antiepileptic drug oxcarbazepine may stem from its metabolic biotransformation to carbamazepine. I. Martins, C. Charneira, M. Marques, A. Antunes TOXI 52. Identification of 4-(methylnitroamino)-1(3-pyridyl-1-oxide)-1-butanone, a novel metabolite of 4-(methylnitrosamino)-1-(3-pyridyl)-1-butanone (NNK) in rat urine. L. von Weymarn, R. Dator, S. Balbo, S.E. Murphy TOXI 53. Initiation of repair of DNA nucleobase lesions in the nucleosome core particle. M.E. Tarantino, S. Delaney TOXI 54. Dual cell system for in vitro studies of toxic blood gases. W.G. Senanayake, I. Petrikovics, D.E. Thompson TOXI 55. Analysis of acrolein-derived 1,N2propanodeoxyguanosine adducts in human lung DNA from smokers and nonsmokers. J. Yang, S. Balbo, P.W. Villalta, S.S. Hecht TOXI 56. High-resolution/accurate mass DNA adductomics to screen for doxorubicin-induced adducts as biomarkers of therapeutic efficacy. A. Stornetta, K. Walters, R.P. Dator, V. Guidolin, P.W. Villalta, S. Balbo TOXI 57. Molecular level studies of the impact of poly (oxonorbornenes) and their gold nanoparticles conjugates on D. rerio. embryos. J.N. Klutts, A. Laranang, Z. Zheng, J. Saar, K. Lienkamp, R. Brewster, Z. Rosenzweig TOXI 58. Oxidation and removal of cytosine derivatives in the nucleosome. P. Caffrey, S. Delaney TOXI 59. Determining the basis of E. coli DinB and human pol kappa DNA damage specificity. H. Stern, T.A. Coulther, J. Winters, C.L. Mills, M.J. Ondrechen, P. Beuning TOXI 60. Prediction of the interaction region between the Y-family polymerase DinB and the transcription-repair coupling factor Mfd in E. coli. S.K. Fields, P. Beuning TOXI 61. Machine learning models for predicting hepatic steatosis based on in vivo data. B. Zdrazil, S. Jain, S. Klinting, S. Escher, G.F. Ecker, U. Norinder TOXI 62. Predicting drug metabolites using bacterial-based models. P.C. Rosado, J.P. Cruz, M.C. Justino, M. Marques, G.C. Justino TOXI 63. Characterization of LexA-regulated protein YbfE in E. coli. A. Hotchkiss, C. Kramer, P. Beuning TOXI 64. DNA damage induced by oxidative stress and lipid peroxidation in leukocyte DNA from African-American and Caucasian smokers. C. Ruszczak, B. Ma, J. Jensen, D. Hatsukami, I. Stepanov TOXI 65. Analysis of the spectrum of DNA modifications in Pseudomonas aeruginosa. E.A. Carlson, N.C. Wamer, T.A. Dodson, E.G. Prestwich TOXI 66. Probing the conformational dynamics of the Beta sliding clamp in Escherichia coli. M.L. Liriano, B. Koleva, P. Beuning TOXI 67. Potential DNA oxidation adducts for disease biomarkers. N.C. Wamer, E.A. Carlson, T.A. Dodson, E.G. Prestwich TOXI 68. Rapid microplate assay for acellular reactive oxygen species generation induced by engineered nanomaterials in real-time. R. Coreas, W. Zhong TOXI 69. Identifying toxicology concepts in the replacement of mercury catalysts during the acetylene hydrochlorination of vinyl chloride monomers. L. Green, J. Marshall, A.S. Cannon TOXI 70. Petrogenic and pyrogenic polycyclic aromatic hydrocarbons in human urine: comparison of their levels between two geographic regions. C. Mesaros, M. Huang, L.C. Hackfeld, R.P. Hodge, I.A. Blair, T.M. Penning

WEDNESDAY MORNING SECTION A Westin Boston Waterfront Marina Ballroom I

Nanomaterials in Drug Delivery: Efficacy & Toxicity Considerations Cosponsored by MEDI P. F. Guengerich, W. G. Humphreys, N. A. Meanwell, Organizers, Presiding 8:00 Introductory Remarks. 8:05 TOXI 92. What exactly is toxic about colloidal nanoparticle formulations? Results from the molecular level and the cellular level. C.J. Murphy 8:45 TOXI 93. Targeting or enhanced selectivity: Toxicological considerations of nanoparticle therapeutics. R. Darvari 9:25 TOXI 94. Expansile nanoparticles for the treatment of intraperitoneal mesothelioma. M.W. Grinstaff 10:05 Intermission. 10:20 TOXI 95. Debugging nano–bio interfaces. M. Mahmoudi

11:00 TOXI 96. Understanding mast cell activation in the safe development of nanotechnologies. J. Brown

Intellectual Property Basics for Chemical Businesses

WEDNESDAY AFTERNOON

Chemical Structure Searching for Patent Information

SECTION A Westin Boston Waterfront Marina Ballroom I

Topics in Chemical Toxicology P. Beuning, Organizer T. Spratt, Organizer, Presiding 1:00 TOXI 97. Base and nucleotide excision repair of site-specific oxidatively generated guanine lesions in DNA substrates transfected into human cells. V. Shafirovich, K. Kropachev, M. Kolbanovskiy, N.E. Geacintov 1:20 TOXI 98. Reduction pathway-dependent cytotoxicity of reduced graphene oxide. C. Zhang, Q. Zhang 1:40 TOXI 99. Site-specific production of hydroxyl radicals and synergistic DNA damage induced by the non-enzymatic activation of the anti-tuberculosis drug isoniazid by Cu(II). B. Zhu 2:00 TOXI 100. Insights into the molecular mechanism of alkylation- and platination-induced mutagenesis. S. Lee, Y. Kou 2:20 TOXI 101. Kinetic basis of DNA synthesis by human DNA polymerase/primase PrimPol. L. Zhao 2:40 Intermission. 3:00 TOXI 102. Levels of glyoxal-induced hemoglobin modifications correlate with DNA cross-links in human blood as determined by mass spectrometry. H.C. Chen, C. Liu 3:20 TOXI 103. High mobility group box 1: A re-evaluation of its role in cancer. I.A. Blair, L. Weng, L. Guo, A. Vachani, C. Mesaros 3:40 TOXI 104. Determining associations between transcriptomics and toxicity using co-expression network methods. B. Alexander-Dann, T. James, A. Bender 4:00 TOXI 105. Inhibitors of the mitochondrial respiratory complex - Structure-based prediction of toxicity. G.F. Ecker, F. Troger, S. Jain, B. Zdrazil 4:20 TOXI 106. Configurational and conformational equilibria of the N6-(2-Deoxy-D-erythro-pentofuranoysl-)-2,6diamino-3,4-dihydro-4-oxo-5-N-methylformamidopyrimidine (MeFapy-dG) lesion in DNA. M.P. Stone, S.N. Bamberger, C.K. Malik, T.L. Johnson-Salyard, S.K. Brown, H. Pan, C.J. Rizzo, M.W. Voehler 4:40 TOXI 107. Using open bioactivity data for developing machine-learning prediction models for chemical modulators of the retinoid X receptor (RXR) signaling pathway. S. Kim

CHAL

Division of Chemistry and the Law K. Bianco and K. McIntyre, Program Chairs SOCIAL EVENTS: Luncheon, 12:00 PM: Mon Reception, 6:00 PM: Mon BUSINESS MEETINGS: Business Meeting, 5:00 PM: Sun

Sponsored by SCHB, Cosponsored by CHAL and PROF Sponsored by CINF, Cosponsored by CHAL and CPRM

MONDAY MORNING SECTION A Boston Convention & Exhibition Center Room 154

Developments in Pharmaceutical Patent Law Cosponsored by PROF B. C. Trinque, Organizer, Presiding 9:00 CHAL 2. Pharmaceutical patent prosecution primer. B.C. Trinque 9:30 CHAL 3. Obviousness, the CAFC, and second generation filing strategies. B. Vaughan 10:30 CHAL 4. What constitutes an inventor? A review of Federal Circuit case law. A.R. Ehle 11:00 CHAL 5. Definiteness and the Medicines Co. and Forest Labs decisions. B.C. Trinque

MONDAY AFTERNOON SECTION A Boston Convention & Exhibition Center Room 154

Extensions to Patent Term in the U.S. & Worldwide R. G. Bone, Organizer, Presiding 2:15 CHAL 6. Extensions to patent term in the U.S. and worldwide. R. Bone 2:30 CHAL 7. Patent term extension in the U.S.. K. Connarn 3:00 CHAL 8. Supplementary protection certificates in the European Union. I. Finnie 3:30 CHAL 9. Patent term extensions and data exclusivity in Australia, New Zealand and South East Asia. J. Gledhill, J. Landells 4:00 CHAL 10. Patent term adjustment in the U.S.. R. Bone

MONDAY EVENING SECTION A Boston Convention & Exhibition Center Exhibit Hall B2/C

Sci-Mix K. E. Bianco, K. McIntyre, Organizers 8:00 – 10:00 CHAL 11. Chocolate: Food of the gods. H.M. Peters, S.B. Peters CHAL 12. National Inventors Hall of Fame. H.M. Peters, S.B. Peters

TUESDAY MORNING SECTION A Boston Convention & Exhibition Center Room 154

Recent Developments in the Protection of Nanotechnology-Related Intellectual Property Cosponsored by MPPG K. E. Bianco, K. McIntyre, Organizers, Presiding 9:30 CHAL 13. Outside the box: Options for protecting your nanotechnology intellectual property. K. McIntyre 10:15 CHAL 14. Obviousness primer: Protecting your nanotechnology against obviousness challenges. A. Lipton 11:00 CHAL 15. Recent developments in post-grant review proceedings. K.E. Bianco

SUNDAY MORNING

TUESDAY AFTERNOON

Chemical Structure Searching for Patent Information

SECTION A

Sponsored by CINF, Cosponsored by CHAL and CPRM

Boston Convention & Exhibition Center Room 154

SUNDAY AFTERNOON

Protecting Your Ideas in the Chemical Arts

SECTION A Boston Convention & Exhibition Center Room 154

Strengthening Your Patent Rights in Light of Recent Federal Circuit Court Decisions A. H. Berks, X. Pillai, Organizers, Presiding 2:00 CHAL 1. Review of recent Federal Circuit decisions relevant to what scientists need to know about patent filing and prosecution. X. Pillai, A. Berks

Cosponsored by SCHB A. Khankin, Organizer, Presiding 1:00 CHAL 16. Biopharmaceutical due diligence considerations. K. McGough 1:30 CHAL 17. Patent law basics for chemists. S. Vathyam 2:00 CHAL 18. Overview of Inter Partes proceeding. G. Yang 2:30 CHAL 19. Inter Partes Review and its effects on patent valuation. T. Palmer

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TECHNICAL PROGRAM

TOXI 71. Dissecting interactions between E. coli DNA polymerase III and single-stranded DNA binding protein to gain insights into polymerase management. J. McIsaac, M. Ondrechen, P.J. Beuning TOXI 72. Release of lead (Pb) and formation of disinfection byproducts during drinking water disinfection in the water distribution system. J. Liu, V.K. Sharma, C.M. Sayes TOXI 73. Mineralogy dependent dissolution of inhaled uranium in simulated lung fluids in uranium mine lands, New Mexico. E. Hettiarachchi, S. Paul, D. Cadol, B. Frey, G. Rubasinghege TOXI 74. Reactive oxygen species (ROS)-dependent release of an inhibitor from an aptamer. G. Premnauth, E.J. Merino TOXI 75. Effect of surface charge on toxicity of AuNPs; Are cationic AuNPs toxic? E. Lee, Y. Kwon TOXI 76. Nanomaterials in marine environment: toxicity to Artemia salina with and without the presence of Phe and Cd2+. J. Lu, X. Lv, Z. Chen, X. Zhu TOXI 77. Molecular characterization of alcohol-induced DNA damage for cancer prevention. V. Guidolin, A. Carra’, P.W. Villalta, E. Carlson, S. Balbo TOXI 78. EB-Fapy-dG adducts of 1,3-butadiene: Synthesis, structural identification, and detection in human cells. S.S. Pujari, A. Groehler, D. Najjar, N.Y. Tretyakova TOXI 79. Inter-individual differences in metabolism of 1,3-butadiene. A. Degner, G. Madugundu, R. Arora, L.A. Peterson, N.Y. Tretyakova TOXI 80. 2, 2’, 3, 5’, 6 polychlorinated biphenyls (PCB-95) induce behavioral and GABAgenic neurotransmitter changes in zebrafish at early developmental exposure. P. Ranasinghe, C.M. Lee TOXI 81. Investigation of the effect of 2-phenethyl isothiocyanate (PEITC) on the levels of 4-hydroxy-1-(3-pyridyl)1-butanone-releasing DNA adducts in oral cells of smokers. A. Jain, G. Yakovlev, B. Ma, I. Stepanov TOXI 82. Smoking and inflammation mediated epigenetic changes in a mouse model of lung cancer. J. Fernandez, C. Seiler, Q. Han, N.Y. Tretyakova TOXI 83. Independent synthesis and fate of DNA lesions generated from oxidative damage at the C-3’ and C-5’ position of deoxyribonucleotides. M. Bedi, A.C. BryantFriedrich TOXI 84. Ecotoxicology of nano-perovskites in aquatic environment. T. Zhou, W. Fan TOXI 85. Thermodynamic exposure reduction by amendment techniques to limit bioaccumulation during ongoing depositional input – a sediment mesocosm study with three organisms. A.P. Wang TOXI 86. MegaTox for predicting compound liabilities. K.M. Zorn, T. Lane, D.P. Russo, A. Clark, S. Ekins TOXI 87. Information-derived adverse outcome pathways with a case study on structural cardiotoxicity. A. Bender TOXI 88. Morphology-dependent cytotoxicity of SiC nanomaterials to human mesenchymal stem cells. F. Chen, G. Li, E. Zhao, J.V. Jokerst TOXI 89. Nanotoxicity predictive modeling: A case study on metal oxides nanoparticles. B. Rasulev TOXI 90. Surface-modified gold nanoparticles and their long-term impact on cellular pathways. P. Falagan Lotsch, E. Grzincic, C.J. Murphy TOXI 91. Noninvasive measurement of bladder carcinogen DNA adducts in human urinary cells by liquid chromatography-tandem mass spectrometry. B. Yun, M. Bellamri, S. Krishnamachari, R. Turesky

TECHNICAL PROGRAM

CHAL/COLL 3:00 CHAL 20. The wide world of chemical arts. A. Simpson 3:30 CHAL 21. Ways to protect small molecule drugs. E. Weeks 4:00 CHAL 22. Structuring a small molecule patent portfolio. A. Khankin 4:30 CHAL 23. Drug lifecycle management: The interplay between patent and FDA marketing exclusivity. T. Leavy

WEDNESDAY MORNING SECTION A Boston Convention & Exhibition Center Room 154

Non-Traditional Careers in Chemistry Cosponsored by PROF, SCHB, WCC and YCC K. E. Bianco, K. McIntyre, Organizers, Presiding 9:30 CHAL 24. Careers beyond the lab: chemical information professional. J. Duberman 10:00 CHAL 25. Navigating the path from graduate school to a career in patent law. C. Rodrigo 10:30 CHAL 26. Careers in patent law: A litigator’s perspective. K. McIntyre 11:00 CHAL 27. Careers in the federal government. A. Ehrlich 11:30 Panel Discussion.

WEDNESDAY AFTERNOON SECTION A Boston Convention & Exhibition Center Room 154

The Many Faces of CHAL: Where Chemistry Meets the Law K. McIntyre, Organizer K. E. Bianco, Organizer, Presiding 1:30 CHAL 28. Legal origins of the New England Compounding Center (NECC) crisis and the future of drug compounding regulation. D.P. Pleynet, L.R. Takaoka, M. Rodwin 2:00 CHAL 29. Innovation in renewable energy: How patent strategy can support business objectives. K.M. Caldwell 2:30 CHAL 30. Smart contracts and blockchain technology in the chemistry industry. K.M. Caldwell 3:00 CHAL 31. Patents as a research, business and career tool. C. Turoski 3:30 CHAL 32. Deriving insights from IP search reports. E.N. Cheeseman

Pesticides & Chemophobia in the News: What You Need to Know as a Scientist & Consumer Sponsored by AGRO, Cosponsored by AGFD, CHAL, CHAS and ENVR

COLL

Division of Colloid and Surface Chemistry R. Nagarajan, Program Chair OTHER SYMPOSIA OF INTEREST: 2D Materials: Innovative Materials & Devices for Energy & Fuels (see ENFL, Sun, Mon) Bioconjugate Chemistry Lectureship & Award: Symposium in honor of Wolfgang Parak (see PMSE, Tue) Functional Materials from Biopolymer Self-Assembly & Self-Organization (see CELL, Wed, Thu) Interfacial Chemistry under Nano-scale Confinement (see GEOC, Sun) Molecular Interactions of Synthetic Nanoparticles with Membranes (see ANYL, Wed) Nanotechnology & Single Cell Analysis in Biology & Medicine: Next Frontier (see ANYL, Sun, Mon) SOCIAL EVENTS: COLL Social Hour with Poster Session, 6:00 PM: Sun COLL Luncheon, 12:15 PM: Tue BUSINESS MEETINGS:

130

COLL Program & Executive Committee Meeting, 4:00 PM: Sat COLL Open Business Meeting, 5:30 PM: Sun

SUNDAY MORNING SECTION A Boston Convention & Exhibition Center Room 152

Advances in Colloid & Surface Chemistry Enabled by Cryogenic & In Situ Liquid-cell Electron Microscopy N. D. Burrows, M. R. Jones, Organizers, Presiding 8:30 COLL 1. Improving quantification in liquid cell electron microscopy of materials reactions. F.M. Ross 9:00 COLL 2. Comparing contrast and electron irradiance limits for soft matter in cryogenic and in-situ liquid-cell electron microscopy. J.E. Evans 9:30 COLL 3. Advances in electron imaging and spectroscopy of nanomaterials at cryogenic temperatures. L. Kourkoutis 10:00 COLL 4. Using sub-sampled STEM and inpainting to control the kinetics and observation efficiency of dynamic processes in liquids. N.D. Browning 10:30 Intermission. 10:45 COLL 5. Efficient dispersion of oil by blends of food-grade surfactants: Role suggested by Cryo-EM of nanostructures forming at the interface. D. Riehm, L. Corcoran, R. Penn, G.D. Bothun, S.R. Raghavan, V.T. John, A. McCormick 11:15 COLL 6. Morphological study of microgel-based colloidal systems by cryogenic transmission electron microscopy (cryo-TEM). Z. Kochovski, H. Jia, Y. Lu 11:45 COLL 7. Cryo-SEM imaging and analysis of peptidecomplexed microgels. J. Liang, X. Xiao, T. Chou, M. Libera 12:05 COLL 8. Observing phase transitions of amphiphilic block copolymers in solution by liquid cell TEM. N.C. Gianneschi

SECTION B Boston Convention & Exhibition Center Room 153A

Colloidal & Interfacial Science in Separation Processes I. Chernyshova, Organizer Q. Liu, S. Ponnurangam, P. Somasundaran, Organizers, Presiding 8:30 Introductory Remarks. 8:35 COLL 9. Using ionic liquids to take advantage of the many facets of chitin: Tailor-made high surface area nanofibrous sorbent mats for selective separations of metal ions. R.D. Rogers, G. Gurau 9:05 COLL 10. Tuning viscoelastic behavior of particlestabilized emulsions for enhanced oil recovery applications. B. Pilapil, A. Pandey, M. Derakhshandeh, A. Meimanova, A. Govedarica, S. Bryant, M. Trifkovic 9:30 COLL 11. Statistics of dispersity of nanosheets by stabilizing oil and water interface. H.V. Kumar, Z. Zhang, W. Dickinson, S.R. Bapat, H.C. Schniepp, D.H. Adamson 9:50 COLL 12. Competition between the hydrolysisphosphate precipitation reactions in wastewater coagulation. H. Ratnaweera 10:10 COLL 13. Practical approaches to modified “smart” fabrics for oil/water separation from stabilized emulsions. M. Lehtinen, Z. Wang, G. Liu 10:30 Intermission. 10:45 COLL 14. Micelle based separations: From small molecules to proteins to nanoparticles. R. Nagarajan 11:15 COLL 15. Enhancement of the solid-liquid separation in oil sands tailings treatment using silica nanoparticles. A. Govedarica, S. Shamim, M. Trifkovic, A. Abid 11:40 COLL 16. Nanoscale view of assisted ion transport across the liquid-liquid interface. M.L. Schlossman 12:00 COLL 17. Controlled architecture of amine ligands decorated glass fiber/poly(glycidyl methacrylate) composites via surface-initiated ICAR ATRP mediated by mussel-inspired polydopamine chemistry for uranium extraction from seawater. W. Wang, G. Ye, J. Chen

SECTION C Boston Convention & Exhibition Center Room 156C

Particle Sizing of Nanoparticles: From Regulatory & Metrology Aspects to Application & Analysis J. D. Clogston, V. A. Hackley, P. Lim Soo, A. Prina-Mello, S. Puri, S. Svenson, X. Xu, Organizers J. Clogston, P. Lim Soo, Presiding

8:30 Introductory Remarks. 8:35 COLL 18. Regulatory science and considerations for drug products containing nanomaterials: FDA perspective. C. Cruz 9:05 COLL 19. Engineering and development of novel antibody-directed nanotherapeutics for the treatment of cancer. D.C. Drummond 9:35 Intermission. 9:50 COLL 20. Metrological challenges and issues related to measurement of nanoparticle size. D. Kaiser 10:10 COLL 21. Orthogonal approaches to sizing of nanomaterials in the pharmaceutical environment. S. Sonzini, K. Treacher, Z. Nazir, S. Puri 10:30 COLL 22. At-line DLS for real-time monitoring of particle size in a nanoemulsion process. M. Mahoney 10:50 Intermission. 11:05 COLL 23. Resonant mass measurement technique for subvisible particle characterization: Applications in the nanomedicine arena. B. Coyne, J. Hadley 11:15 COLL 24. Innovations in single particle and single cell ICP-MS – Accurate measurements of particle number in cells. C. Stephan, R. Merrifield 11:25 COLL 25. Is that peak real? Separating truth from fiction in particle analysis. J. Fraikin, F. Monzon, L. Brown 11:35 Intermission. 11:50 Panel Discussion. 12:20 COLL 26. What does it take to accurately measure concentration of particles in colloids? J.K. Tatarkiewicz

SECTION D Boston Convention & Exhibition Center Room 157A

Heating with Colloidal Nanoparticles: Physical Mechanisms & Applications in Life Science P. del Pino, L. Liz Marzan, W. Parak, Organizers N. Feliu, Presiding 8:30 COLL 27. Photothermal effects of plasmonic nanoparticles: fundamentals and applications. N.J. Halas 9:00 COLL 28. Janus Fe3O4-Au magnetic-plasmonic nanoparticles for sensing, hyperthermia, and molecular imaging. J. Reguera, D. Jimenez de Aberasturi, J. Langer, M. Henriksen-Lacey, L. Liz Marzan 9:30 COLL 29. Photothermal response of gold nanorods prepared using A CTAB-aromatic additive system. I.W. Guo, M.C. Wang, I. Pekcevik, B.D. Gates 9:50 COLL 30. Photoacoustic alternative to MR thermometry during photothermal therapy. D.M. Charron, H.H. Buzzá, R. Weersink, G. Zheng 10:10 Intermission. 10:40 COLL 31. Conversion of light energy into heat and hot electrons using hybrid nanostructures with plasmonic hot spots. A. Govorov 11:10 COLL 32. Controlling the cellular uptake of plasmonic nanoparticles by host-guest interactions for optical hyperthermia. J. Mosquera Mosquera, I. García, M. Henriksen-Lacey, L. Liz Marzan 11:40 COLL 33. Hybrid nanoscale architectures: Plasmonic and magnetic induced heating applications. S. Hunyadi Murph 12:00 COLL 34. Thermogel nanocomposites designed for biofilm disruption. A.S. Samia

SECTION E Boston Convention & Exhibition Center Room 157B

Nanomaterials J. A. Hollingsworth, Organizer R. Nagarajan, Organizer, Presiding 8:30 COLL 35. Fabrication of ZnO/CuO vertically-aligned tree-like nanostructure and its application in solar energy conversion. Z. Li, M. Jia, B. Abraham, J. Blake, D. Bodine, J.T. Newberg, L. Gundlach 8:50 COLL 36. Autoperforation of two-dimensional materials for generating colloidal electronic devices. P. Liu, A. Liu, D. Kozawa, J. Dong, V. Koman, S. Wang, M. Wong, M. Strano 9:10 COLL 37. Hierarchical porous SiC for efficient electromagnetic interference shielding at elevated temperatures. Z. Wang 9:30 COLL 38. Oxidative dissolution and antimicrobial activity of silver nanoparticles: The role of particle dimensions, surface coating and shape. Q. Zhang, Y. Hu, V.L. Colvin

SECTION F Boston Convention & Exhibition Center Room 157C

Understanding Nano-Bio Interactions: Implications for Bio-Imaging, Diagnosis & Treatment B. Kim, S. Wilhelm, Organizers, Presiding 8:30 COLL 45. Gold nanoparticles and biology: A perspective. R. Levy 9:00 COLL 46. Engineering cellular interactions with nanolayered particles for controlled trafficking and delivery. P.T. Hammond 9:30 Intermission. 9:40 COLL 47. Nanomachines biointerfacing via cell membrane cloaking for active delivery and removal. L. Zhang 10:10 COLL 48. Improving intracellular RNA delivery through nanocarrier design. E.S. Day 10:40 Intermission. 10:50 COLL 49. Size-dependent delivery of nanoparticles to brain assisted by focused ultrasound-mediated BBB disruption. S. Ohta, E. Kikuchi, A. Ishijima, E. Kobayashi, T. Azuma, I. Sakuma, T. Ito 11:10 COLL 50. Site-selective and controlled immobilization of leptin on nanoparticles for improving cellular uptake. V. Maggi, V. Mangini, A. Trianni, F. Melle, R. Fiammengo 11:30 COLL 51. Heterocellular 3D platforms and in vivo dual-nanotracer molecular imaging provide clinically-relevant insights to facilitate the development of antibody-targeted, NIR-active nanotherapeutics. G. Obaid, S. Bano, K. Samkoe, S. Mallidi, J. Kuriakose, B. Pogue, T. Hasan 11:50 COLL 52. Investigating the in vitro/in vivo disconnect using gold nanoparticles. J.M. Berlin 12:10 COLL 53. Gold nanospikes enable capture and release of circulating tumor cells. L. Scarabelli, G.A. Vinnacombe, L.K. Heidenreich, N. Chiang, S.J. Jonas, P.S. Weiss

SECTION G Boston Convention & Exhibition Center Room 252B

Nanomedicines: From Fundamentals to Applications Clinical Translation G. Han, Z. Wang, J. Xie, Organizers Z. Gu, J. Zheng, Organizers, Presiding 8:30 COLL 54. Ultrasmall core-shell silica nanoparticles as targeted imaging probes for cancer nanomedicine: Design, evaluation and clinical translation. M. Bradbury 9:00 COLL 55. Promoting intratumoral delivery, active targeting and clearance with sub-5 nm ultrafine magnetic iron oxide nanoparticles. H. Mao 9:30 COLL 56. Noninvasive fluorescence kidney functional imaging enabled by renal clearable luminescent gold nanoparticles. M. Yu, X. Ning, J. Xu, B. Du, J. Zheng, J. Zhou, J. Hsieh, P. Kapur 9:50 COLL 57. Treatment of bacterial infections with peptide-targeted porous silicon nanoparticles. M.J. Sailor 10:20 COLL 58. Design considerations of contrast agents for bioimaging and nanomedicine. H. Choi, H. Kang 10:50 COLL 59. Glomerular barrier behaves as an atomically precise bandpass filter in a sub-nanometre regime. B. Du

11:10 COLL 60. Light, heat and sound to enhance nanoparticle delivery to the tumors. M. Overchuk, C. Pellow, D. Charron, K. Harmatys, M. Rajora, J. Chen, G. Zheng 11:40 COLL 61. In vivo transport of engineered nanoparticles in the kidneys. J. Zheng 12:10 COLL 62. Tumor-targeted and clearable proteinbased MRI nanoprobes. Y. Zhao, J. Peng, G. Han

11:30 COLL 82. High-throughput study of the role of spatial organization on the activity of surface-bound enzymes. N. Alsharif, T. Lawton, J.R. Uzarski, K.A. Brown 11:50 COLL 83. Immunoassay investigation of vaccine carrier stability within ZIF-8 encapsulation. R.P. Welch, M.A. Luzuriaga, S. Li, J.J. Gassensmith

SECTION H

Sponsored by GEOC, Cosponsored by COLL

Boston Convention & Exhibition Center Room 160A

Basic Research in Colloids, Surfactants & Nanomaterials Emulsions, Drops & Dispersions R. Nagarajan, Organizer Y. Kondo, Presiding 8:30 COLL 63. Formulation and stabilization of concentrated edible oil-in-water emulsions based on electrostatic complexes of a food-grade cationic surfactant (ethyl lauroyl arginate) and cellulose nanocrystals. L. Bai, W. Xiang, S. Huan, O.J. Rojas 8:50 COLL 64. Rapid detection of foodborne pathogens using directional emission from dynamic double emulsion droplets. L. Zeininger, T.M. Swager 9:10 COLL 65. Continuous visualization of complex liquid emulsions using on-chip ring resonators. S. Savagatrup, T.M. Swager 9:30 COLL 66. Modeling of the effect of additives in demulsification of crude oils. D. Yu, J. Mendenhall 9:50 COLL 67. Active demulsification of stable emulsions prepared from mixtures of azobenzene surfactant/SDS using light. Y. Kondo, N. Koizumi, Y. Takahashi 10:10 COLL 68. Creating aqueous metastable amorphous dispersions of hydrophobic naphthalene compounds via the “Ouzo effect”. J.M. Belanger, J. Cirilo, T.M. Reidy 10:30 COLL 69. Influence of microfibrillated cellulose fractions on the rheology of water suspensions: Colloidal interactions and viscoelastic properties. G. Cinar, P.A. Larsson, A. Riazanova, A. Karppinen, H. Øvrebø, L. Berglund, L. Wagberg 10:50 COLL 70. Multiphase water-in-oil emulsion droplets produced via microfluidics as artificial cells. C.D. Crowe, C.D. Keating 11:10 COLL 71. Femtoliter droplet arrays: Formation, dissolution and applications. L. Bao, H. Yu, V. Spandan, D. Lohse, X. Zhang 11:30 COLL 72. Rheology and phase morphology of liquid crystal dispersed silica-core nanoparticles. M. Tukpah, S. Jadhav, R. McKenzie 11:50 COLL 73. Dynamic structural color in reconfigurable complex droplets. A. Goodling, S. Nagelberg, M. Kolle, L.D. Zarzar

SECTION I Boston Convention & Exhibition Center Room 160B

Surface Chemistry Adsorption & Chirality S. L. Tait, Organizer D. L. Patrick, T. K. Wijethunga, Presiding 8:30 COLL 74. Templated growth of a chiral thin film oxide. A. Schilling, E.H. Sykes 8:50 COLL 75. Helical nanoparticle-induced enhancement of molecular optical activity. L. Yang 9:10 COLL 76. Chiral adsorbate assembly in 2D: Racemates or conglomerates. A.J. Gellman, S. Dutta 9:30 COLL 77. Towards understanding and controlling molecular self-assembly. H.D. Castillo, J.M. Espinosa Duran, S. Kim, D. Lee, P. Ortoleva, S.L. Tait 9:50 COLL 78. Quantitatively predicting nanoscale domain morphology in solution-processed organic thin films. D.L. Patrick, G. Reed, L. Bavik, C. Schaaf, B. Johnson 10:10 Intermission. 10:30 COLL 79. Investigating adsorbed films of linear alkanes on solid surfaces: A thermodynamic, modeling, and scattering study. N.A. Strange, T. Arnold, J.Z. Larese 10:50 COLL 80. Adsorption of cycloalkanes on MgO (100), graphite and hexagonal boron nitride: A thermodynamic, modeling and neutron scattering study. F. Wahida, J.Z. Larese 11:10 COLL 81. Application of crystalline substrates for nucleation control and polymorphic selection of Indomethacin. T.K. Wijethunga, X. Chen, A.S. Myerson, B. Trout

Interfacial Chemistry under Nano-scale Confinement Moving the Safety Values of the ACS Forward Sponsored by PRES, Cosponsored by AGFD, ANYL, BIOL, BMGT, CA, CARB, CCS, CHAS‡, CINF, COLL, CPT, ENFL, ENVR, I&EC, ORGN, PROF and SCHB

Nanotechnology & Single Cell Analysis in Biology & Medicine: Next Frontier Sponsored by ANYL, Cosponsored by BIOL, COLL, MPPG and PHYS

Technical Developments & Applications of Optical Chemical Imaging Sponsored by ANYL, Cosponsored by BIOL‡, COLL and PHYS‡

SUNDAY AFTERNOON SECTION A Boston Convention & Exhibition Center Room 152

Advances in Colloid & Surface Chemistry Enabled by Cryogenic & In Situ Liquid-cell Electron Microscopy N. D. Burrows, M. R. Jones, Organizers, Presiding 2:00 COLL 84. Physical chemistry of nanocrystals with the graphene liquid cell. P. Alivisatos 2:30 COLL 85. Understanding the growth and dissolution of metal nanoparticles using in situ liquid transmission electron microscopy. H. Yang 3:00 COLL 86. Characterizing formation, growth, dissolution, and transformation of nanocrystals in suspensions. J.A. Soltis, N.D. Burrows, V. Yuwono, S. Kumar, A.M. Vindedahl, K. Sabyrov, R. Penn 3:30 COLL 87. Investigating crystal nucleation, transformation and assembly via liquid and cryogenic TEM. J.J. De Yoreo 4:00 Intermission. 4:15 COLL 88. Visualizing nanoscale assembly and elastocapillary effects in solution using in situ TEM. U. Mirsaidov 4:45 COLL 89. Atomistic modeling of nanoparticle selfassembly in liquid cells and at liquid interfaces. P. Kral 5:05 COLL 90. Cryo-electron microscopy: 2D and 3D visualization of nanobubbles, nanoparticles, and supramolecular assemblies. P.L. Stewart 5:35 COLL 91. Seeing is believing - from crystallizing of nanoparticles to crumpling of polymer films. Q. Chen

SECTION B Boston Convention & Exhibition Center Room 153A

Colloidal & Interfacial Science in Separation Processes Q. Liu, P. Somasundaran, Organizers I. Chernyshova, S. Ponnurangam, Organizers, Presiding 2:00 COLL 92. Membranes with controlled 2D MXene lateral flake sizes. Y. Gogotsi 2:30 COLL 93. Gas permeation through Pickering membranes. M.M. Krejca, W. Goedel 2:50 COLL 94. Oxidant-triggered rapid deposition of plantderived phenols on PVDF membrane with ultrahigh water permeability for effective oil/water separation. Y. Chen, Q. Liu 3:10 COLL 95. Enrichment and recovery of mammalian cells from contaminated cultures using aqueous two-phase systems. C.J. Luby, B.P. Coughlin, C. Mace 3:30 COLL 96. Development of nanolignin complexes from lignocellulosic biomass for applications in nanobiotechnology. J. Bhaumik, S. Chandna, R. Kaur, Y. Reddy 3:50 COLL 97. Ranking binding affinity for ssDNA-wrapped single-walled carbon nanotube (SWCNTs) using free energy perturbation (FEP). K. Hinkle, F.R. Phelan 4:20 Intermission. 4:35 COLL 98. Impact of operating conditions in membrane-based separation processes on the characteristics of inorganic scales on membrane surface. O. Lokare, S. Wadekar, R.D. Vidic

131

TECHNICAL PROGRAM

9:50 COLL 39. Ultra-thin zirconium hydroxide films: Characterization of material properties and assessment of chemical activity for chemical warfare simulant decomposition. S. Jeon, R.B. Balow, G.C. Daniels, P.E. Pehrsson 10:10 COLL 40. Nanoparticles mediated chiral separation using SERS. R. Stiufiuc, V. Toma, A. Moldovan, G. Stiufiuc, V. Chis, M. Lucaciu 10:30 COLL 41. Enantiomeric separations of chiral propanolol using chiral tetrahexahedral Au nanoparticles. N. Shukla, D. Yang, A.J. Gellman 10:50 COLL 42. Substrate adhesion force scales nonmonotonically with growth time in millimeter-scale carbon nanotube arrays. A.L. Kaiser, D.L. Rautenbach, S.C. Peterson, L. Acauan, S. Steiner, R. Guzman de Villoria, I.Y. Stein, B.L. Wardle 11:10 COLL 43. Simple bond-centric model for accelerated nanoalloy energetics. M.G. Taylor, Z. Yan, A. Mascareno, G. Mpourmpakis 11:30 COLL 44. Experimental validation of FM-AFM competition in FexZn1-xSe QDs by computational modelling. J.K. Bindra, L. Gutsev, G.F. Strouse, J. van Tol, N.S. Dalal, S. Stoian

TECHNICAL PROGRAM

COLL 5:00 COLL 99. Mesoscale simulations of nanoparticle separation on polymer-grafted porous media. A. Vishnyakov, S. Kolattukudy Poulose, A.V. Neimark, Y. Brun 5:20 COLL 100. Fouling behavior of chemically modified mixed liquor from submerged ceramic biofilm-membrane bioreactor. Z. Maletskyi, O. Kulesha 5:40 COLL 101. Effect of inorganic salt as porogen on the structure and properties of polyvinylidene fluoride(PVDF) membranes. M. Zhang, Y. Song

SECTION C Boston Convention & Exhibition Center Room 156C

Frontiers & Challenges in Nanoparticle-Mediated Chemical Transformations Metallic Nanocatalysts H. Fan, Y. Sun, Organizers J. He, Organizer, Presiding 2:00 Introductory Remarks. 2:05 COLL 102. Synthesis and catalytic applications of Ru nanocrystals with well-controlled facets and an fcc structure. Y. Xia 2:35 COLL 103. Crystal phase-engineering of novel nanomaterials. H. Zhang 3:05 COLL 104. Coordination assemblies of nanoparticles. N. Kotov, Z. Qu, W. Feng, Y. Wang, K. Hirai 3:35 Intermission. 3:50 COLL 105. Atomically precise metal nanoparticles and their assembly. R. Jin 4:20 COLL 106. Probing the atomic arrangement of palladium on silver nanocrystals with an isocyanide-based reporter by surface-enhanced Raman scattering. D. Qin, Y. Wu 4:50 COLL 107. Towards precision catalysts through the control of bimetallic nanostructures. H. Yang

SECTION D Boston Convention & Exhibition Center Room 157A

Heating with Colloidal Nanoparticles: Physical Mechanisms & Applications in Life Science P. del Pino, L. Liz Marzan, W. Parak, Organizers C. Carrillo-Carrión, Presiding 2:00 COLL 108. LeChatelier on the nanoscale. C.J. Murphy 2:30 COLL 109. Controlling biomolecular corona by plasmonic metal nanoparticles. E. Polo 3:00 COLL 110. Low-dose exposure of graphene oxide significantly increases metal toxicity to macrophages by altering their cellular priming state. J. Zhu, S. Liu 3:20 COLL 111. Magnetite nano-clusters for biomedical magnetic nanoparticles fluid hyperthermia for cancer treatment. D. Quesada, L.C. Fernandez, A. Tapanes-Castillo, M. Barreat 3:40 Intermission. 4:10 COLL 112. Vortex state in magnetite nanodiscs: A foundation for multimodal mechanothermal neuronal stimulation. G. Danijela, A.W. Senko, A. Chuvilin, P. Reddy, A. Sankararaman, D. Rosenfeld, F. Garcia, J. Moon, P. Chiang, P. Anikeeva 4:40 COLL 113. Biotransformation of graphene oxide in lung fluids significantly alters its inherent properties and bioactivities towards immune cells. S. Liu 5:10 COLL 114. Radio frequency heating of carbon nanotube loaded materials. M.J. Green, C. Sweeney, M. Saed

SECTION E Boston Convention & Exhibition Center Room 157B

Nanomaterials J. A. Hollingsworth, R. Nagarajan, Organizers N. Pradhan, Presiding 2:00 COLL 115. Molecular printing: Combining organic chemistry and nanolithography to recreate biointerfaces. A.B. Braunschweig 2:30 COLL 116. Directed assembly for three-dimensional nanoprinting. G. Liu, S. Wang, J. Ventrici de Souza, Y. Liu, T. Kuhl, P. Doerig, J. Frommer 3:20 COLL 117. Integration of colloidal giant quantum dots and 3D nanoantennas by dip-pen nanolithography. J. Wang, F. Dawood, P. Schulze, C. Sheehan, I. Staude, I. Brener, N.A. Amro, J.A. Hollingsworth 3:40 COLL 118. Direct assembly of hydrophobic quantum dots with colloidal silica via van der Waals interaction. K. Woo, H. Yoo

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4:00 COLL 119. Ligand-mediated structural transformations in PbS nanocrystal superlattices. S.W. Winslow, D. Smilgies, J. Swan, W.A. Tisdale 4:20 COLL 120. Long range hierarchical assembly of Pt nanocrystals – Insights from measurements and molecular simulations of nanoparticle docking. S. Wang, E. Zhu, X. Yan, M. Sobani, L. Ruan, C. Wang, Y. Liu, X. Duan, H. Heinz, Y. Huang 4:40 COLL 121. Fabrication of hierarchically ordered optically active nanocrystal solids by surface passivation using atomic layer deposition of metal oxides. R. Bose, A. Dangerfield, S. Rupich, Y.J. Chabal, A. Malko 5:00 COLL 122. Directed assembly and nano-soldering of multi-segment metallic nanowires. J. Wang, F. Gao, C. Su, J. Su, H. Sun, Z. Gu 5:20 COLL 123. Self-assembly of spatially-decorated metallic nanowires on a fluid interface. G. Staelens, A.M. Jonas, B. Nysten, S. Demoustier-Champagne

SECTION F Boston Convention & Exhibition Center Room 157C

Understanding Nano-Bio Interactions: Implications for Bio-Imaging, Diagnosis & Treatment B. Kim, S. Wilhelm, Organizers, Presiding 2:00 COLL 124. Correlating the interaction of colloidal nanoparticles with biological matter with their physicochemical properties. W. Parak 2:30 COLL 125. Structure-function relationships in the development of immunotherapeutic agents. C.A. Mirkin 3:00 Intermission. 3:10 COLL 126. Designer nanoparticles for intracellular targeting and delivery. T.W. Odom 3:40 COLL 127. Improving antitumor immunity through immuno-engineering. M. Goldberg 4:10 Intermission. 4:20 COLL 128. Interactions of amphiphilic ligand-coated gold nanoparticles with cells and tissues from the nano- to macro-scale. D.J. Irvine 4:50 COLL 129. CRISPRed macrophages for cellbased cancer immunotherapy. Y. Lee, M. Ray, J. Hardie, M.E. Farkas, V.M. Rotello 5:10 COLL 130. Multivalent bi-specific nanobioconjugate engager for targeted cancer immunotherapy. C. von Roemeling, H. Yuan, W. Jiang, Y. Qie, X. Liu, Y. Chen, Y. Wang, R. Wharen, K. Yun, G. Bu, K. Knutson, B. Kim 5:30 COLL 131. Engaging nanoparticle-cell interactions through “smart” design. M.R. Mackiewicz

SECTION G Boston Convention & Exhibition Center Room 252B

Nanomedicines: From Fundamentals to Applications Clinical Translation G. Han, Z. Wang, J. Xie, Organizers Z. Gu, J. Zheng, Organizers, Presiding 2:00 COLL 132. Nanoparticulate delivery systems for RNA therapy and genome editing. D.G. Anderson 2:30 COLL 133. Discovery and translation of the cell membrane-coated nanoparticle technology. L. Zhang 3:00 COLL 134. Modified macrophages as cell-based delivery tools and therapeutic entities for cancer. M.E. Farkas 3:20 COLL 135. Overcoming biological barriers for circulation and targeting of nanoparticles. S. Mitragotri 3:50 COLL 136. Tolerogenic nanoparticles for the prevention of anti-drug antibodies - from concept to the clinic. L. Johnston 4:20 COLL 137. Universal and ultrastable mineralization coating bioinspired from bioflims. Y. Xiao 4:40 COLL 138. Adaptive treatment tolerance attenuated by nanotechnique-assisted drug delivery. X. Liang 5:10 COLL 139. Leverage physiology for bioresponsive drug delivery. Z. Gu 5:40 COLL 140. Insulin – containing silica nanoparticles with a high loading capacity and demonstration of bioactivity: Potential for oral delivery. D. Hristov, F. McCartney, J. Beirne, S. Reid, E.A. Mahon, S. Bhattacharjee, G. Redmond, D. Brougham, D.J. Brayden

SECTION H Boston Convention & Exhibition Center Room 160A

Synthetic Self-Assembled Systems for Drug & Nucleic Acid Delivery: New Materials, Formulation Strategies, Targeting, Toxicity & Regulatory Issues M. A. Ilies, Organizer K. Sakurai, Organizer, Presiding 2:00 COLL 141. Helical polymer structure provides platinum-loaded polymeric micelles with favorable size and stability for effective tumor-targeting. Y. Mochida, H. Cabral, Y. Miura, K. Osada, N. Nishiyama, K. Kataoka 2:30 COLL 142. Photo-targeted nanoparticles for intravenous treatment of choroidal neovascularization. Y. Wang, D.S. Kohane 3:00 COLL 143. Oxidation-responsive nanolayered coatings for the on-demand delivery of therapeutic growth factors. J.R. Martin, M.T. Funkenbusch, S. Wang, P.T. Hammond 3:30 Intermission. 3:45 COLL 144. Increasing nanoparticle drug loading efficiency via self-assembly. M.W. Grinstaff 4:15 COLL 145. Block copolymer nanocarriers with peptide units for drug delivery. M. Klapper, F. Karagoez, N. Wutke 4:45 COLL 146. NIH/NIBIB funding for novel drug delivery technologies. D. Rampulla

SECTION I Boston Convention & Exhibition Center Room 160B

Surface Chemistry Reactivity at Solid Surfaces & Ions at Liquid-Vapor Interfaces S. L. Tait, Organizer D. R. Killelea, T. Thuening, Presiding 2:00 COLL 147. Single-atom alloy catalysts: From theory to working catalysts through surface science characterization. T. Thuening, M. Darby, R. Reocreux, A. Michaelides, M. Stamatakis, E.H. Sykes 2:20 COLL 148. Selective oxidation of ethanol to acetaldehyde over TiO2/Au(111). A. Baber, D.T. Boyle, J. Wilke, V.H. Lam 2:40 COLL 149. Influence of structure and composition on the surface chemistry of bimetallic Cu/Au model catalysts. C. Baddeley, F. Grillo, R. Megginson, S. Francis 3:00 COLL 150. Comparison of oxygen adsorption and absorption on rhodium, silver, and stepped platinum surfaces. D.R. Killelea, R. Farber, M. Turano, L. Juurlink, E.V. Iski 3:20 COLL 151. Syntheses, plasmonic properties, and catalytic applications of Ag-Rh core-frame nanocubes and Rh nanoboxes with highly porous walls. D. Qin, Y. Zhang 3:40 COLL 152. Surface chemistry of gold islands deposited on TiO2(110). R. Somaratne, J.E. Whitten 4:00 Intermission. 4:20 COLL 153. Hydration mediated interfacial transitions on mixed hydrophobic/hydrophilic nanodroplet interfaces. F. Kovacik, H. Okur, S. Roke 4:40 COLL 154. Molecular insight into the carboxylic acid – alkali metal cations interactions: Reversed affinity and ion pair formation. A.P. Stho*r, J. Hladilková, M. Lund, E. Tyrode 5:00 COLL 155. Surface properties of hypobromite at the liquid-vapor interface studied by liquid jet XPS. S. Chen, L. Artiglia, F. Orlando, X. Kong, P. Arroyo, M. Ammann

Moving the Safety Values of the ACS Forward Sponsored by PRES, Cosponsored by AGFD, ANYL, BIOL, BMGT, CA, CARB, CCS, CHAS‡, CINF, COLL, CPT, ENFL, ENVR, I&EC, ORGN, PROF and SCHB

Interfacial Chemistry under Nano-scale Confinement Sponsored by GEOC, Cosponsored by COLL

Nanotechnology & Single Cell Analysis in Biology & Medicine: Next Frontier Sponsored by ANYL, Cosponsored by BIOL, COLL, MPPG and PHYS

Technical Developments & Applications of Optical Chemical Imaging Sponsored by ANYL, Cosponsored by BIOL‡, COLL and PHYS‡

SUNDAY EVENING SECTION A Boston Convention & Exhibition Center Exhibit Hall A

Biomaterials & Biointerfaces Posters A. P. Goodwin, V. Gordon, Organizers

SECTION A Boston Convention & Exhibition Center Exhibit Hall A

Colloid & Surface Chemistry in Industry: Applications & Career Opportunities Posters H. Fairbrother, N. A. Falk, L. Tribe, Organizers 5:30 – 7:30 COLL 160. pH mediated cell uptake of alkyl carboxylate functionalized Qβ VLPs. H. Lee, J.J. Gassensmith COLL 161. Modeling of magnetization in self-assembled magnetic nanocubes. F. Sanoj COLL 162. Crystallite-size dependent bond length, elastic and thermal properties of nano-oxides. S. Chan COLL 163. Synthesis and characterization of self-assembled peptide nanotubes: Scaffolds for neural cell differentiation. P. Macha, L. Perreault, M. Vasudev, M. Mayes COLL 164. Peptide-based carriers for natural therapeutic molecules delivery. Y. Hamedani, M. Vasudev

SECTION A Boston Convention & Exhibition Center Exhibit Hall A

Fundamental Research in Colloids, Surfaces & Nanomaterials R. Nagarajan, Organizer 5:30 – 7:30 COLL 165. 3D chiral microbuckles fabricated by asymmetric biaxial stretching. M. Hwang, C. Kim, A. Jung, B. Kim, B. Yeom COLL 166. 64Cu chelation-enabled multimodal imaging of porphyrin-lipid micro and nanobubble shell fate: Applications in therapeutic ultrasound. M. Rajora, J. Chen, G. Zheng COLL 167. Study on changing rule of colloidal system properties in thermal cracking reactions. J. Li COLL 168. Structure and dynamics of aqueous solutions containing poly-(acrylic acid) and non-ionic surfactant: A comparative study between pentaethylene glycol n-octyl ether (C8E5) and octaethylene glycol n-decyl ether (C10E8). L. Kunche, U. Natarajan COLL 169. Evolution of bioinspired self-assembled materials in nucleic acid therapeutics and vaccines. M. Gindy, A. Bett, G. Swaminathan, J. Smith, S. Secore, A. Latham, M. Patel COLL 170. High resolution nanoparticle sizing with Maximum A posteriori nanoparticle tracking analysis (MANTA). K. Silmore, X. Gong, M. Strano, J. Swan COLL 171. Particle size distribution of food additives: Silicon dioxide study. S.A. Khan, T.R. Croley COLL 172. Particle sizing of a food supplement in response to an EFSA request for characterization of potential nanomaterials. R.I. Maccuspie COLL 173. General way to synthesize Sm-based nanomagnet. B. Shen, S. Sun COLL 174. Cation distribution in composite quantum dots prepared by partial cation exchange. C. Lin, S.E. Benjamin, H.D. Hall, M.L. Ary, X.A. Aguilar, J.W. Campbell, P.G. Van Patten COLL 175. New method of comparing photocatalysts by identifying reaction intermediates. M. Croxall, M. Goh COLL 176. Acceleration of photoisomerization reaction of lophine dimers with inner environment of the micelles. M. Akamatsu, K. Kobayashi, T. Suzuki, K. Sakai, H. Sakai COLL 177. Adsorption of amino acids onto TiO2 nanoparticles: Towards understanding nano–bio interactions. N.I. Gonzalez Pech, I. Ustunol, H. Wu, B. Kenney, V.H. Grassian COLL 178. Affinity chromatography measurements of metal ion binding to lipid membranes. E.E. Ross

COLL 179. Aggregation process of amyloidogenic peptides coated nano-gold colloidal particles. I. Deshmukh, J. Lippa, K. Yokoyama COLL 180. Amino acid hom*ology of peptide sequence as a determining factor in single pot reduction of Au nanoparticles. C.J. Munro, M.R. Knecht COLL 181. Efficient route to amine functionalized siloxy gels. B.P. Chauhan, G. Longia COLL 182. Analyzing the roles of surfactant mixtures containing aromatic additives and hexadecyltrimethylammonium chloride in the synthesis of gold nanorods. I.W. Guo, B.D. Gates COLL 183. Antimicrobial carbohydrate-passivated gold nanoclusters. W. Ndugire, M. Yan COLL 184. Application of gold-silica core-shell nanostructures to treat gliobastoma associated with NHE9 overexpression. L. Juratli, S. Nasser, A. Pall, K.C. Kondapalli, K. Bandyopadhyay COLL 185. Atomic resolution 3D reconstruction of single colloidal nanoparticle. J. Heo, B. Kim, S. Kim, J. Park COLL 186. Biodegradable tetra-block copolymeric nanoparticles for MS1 anti-cancer peptide delivery. N. Mehrotra, D. Gupta, S. Kharbanda, H. Singh COLL 187. Bio-functionalization of graphene oxide for antimicrobial and drug delivery applications. I.A. Banerjee, M. Hugo, K.R. Fath COLL 188. Biopolymer functionalized liposomes for enhanced disperison stability of nanovesicles. L. Hyppolite, C. Winstead Casson COLL 189. Blood protein interaction with nanostructured glycocalyx mimetic surfaces. M. Hedayati, M.M. Reynolds, D. Krapf, M. Kipper COLL 190. Characterization of surface chemical processes during the leaching of silver from a polymetallic sulfide by x-ray photoelectron spectroscopy and polarization microscopy. D. Silva Quiñones, J.C. Rodriguez-Reyes, A.V. Teplyakov, R. He COLL 191. Characterization of the antibacterial efficiency of metal nanoparticle-infused composite materials using epi-fluorescent optical trapping. T.J. Beckmann, D.M. Danhausen, J.J. Keleher COLL 192. Characterizing solid electrolyte interphase-layer formation using x-ray photoelectron spectroscopy in solidstate Mg-ion batteries. H.K. Henry, S. Lee COLL 193. Charge switchable nanozymes for imaging of biofilm-associated infections. A. Gupta, R. Das, G. Yesilbag Tonga, T. Mizuhara, V.M. Rotello COLL 194. Chemical and structural analysis on the surface of quantum rods. Y. Chen, E.G. Ripka, M.M. Maye COLL 195. Chemical environment of iron and nickel atoms in thin film magnets. K. Kaur, S. Dehipawala, P. Samarasekara COLL 196. Click chemistry for loading a synthetic peptide (VIHGW-(alkyne)-G-NH2) onto functionalized silver nanoparticles and its antimicrobial activity against Escherichia coli. M.R. Gakiya, L. Palomino, S. Pierce, A.M. Angeles Boza, J.C. Rodriguez-Reyes COLL 197. Coarse grained molecular dynamics simulations of rosette nanotubes using the MARTINI forcefield. V. Karra, F.R. Hung, H. Fenniri COLL 198. CsPbX3 ligand binding dynamics: A 2D diffusion and relaxation NMR study. E.G. Ripka, C.R. Deschene, M.M. Maye COLL 199. Cytosolic siRNA delivery using nanoparticlestabilized nanocapsules for in vivo anti-inflammatory therapy. Y. Liu, Y. Jiang, J. Hardie, R. Das, R. Landis, V.M. Rotello COLL 200. Dense suspension rheology studies of attractive nanoemulsions for characterization of polymer chain conformation-driven dipolar interdrop association. J. Lee, M. Sung, K. Shin, J. Kim, S. Hong, J. Kim COLL 201. Dermal-epidermal junction-targeted transdermal delivery using squashy, skin-adhesive polymeric nanovehicles. S. Hong, J. Park, J. Kim, J. Lee, H. Lee, J. Kim COLL 202. Design of nickel nanoparticles for X-ray fluorescence microscopy to visualize cellular metal ion concentrations. H. Sawab, M.R. Mackiewicz COLL 203. Determination of permethrin level on military uniform fabrics using desorption-gas chromatography– mass spectrometry. J.B. Sennett, R.A. Pesce-Rodriguez, A.A. Bujanda, L.B. Blaudeau COLL 204. Developing the sapphire (0001) surface as a transparent substitute for mica for DNA nanostructure imaging. M.L. Norton, M. Rahman, D. Neff, Z.T. Boggs COLL 205. Development of nucleic acid delivery system targeting Ras gene by β-glucan. S. Sasaki, N. Fujiwara, H. Izumi, K. Sakurai, S. Mochizuki

COLL 206. Development of tumor-specific double-stranded RNA delivery system using hyaluronic acid. M. Umeda, S. Mochizuki COLL 207. Diatom-inspired silica nanoparticle coatings using an engineered mussel glue to accelerate bone growth on titanium-based implants. Y. Jo, B. Choi, C. Kim, H.J. Cha COLL 208. Direct cytosolic co-delivery of siRNA and tamoxifen for enhanced breast cancer therapy. J. Hardie, Y. Jiang, E. Tetrault, P. Ghazi, G. Yesilbag Tonga, M.E. Farkas, V.M. Rotello COLL 209. Direct, in situ visualization of graphene reaction dynamics via optical microscopy. W. Li, M. Wojcik, Y. Li, K. Xu COLL 210. Dynamic double emulsions generated via in situ surfactant synthesis. C.A. Zentner, T.M. Swager COLL 211. Effective removal of surface-bound cetyltrimethylammonium ions from PEG-protected Au nanorods by treatment with dimethyl sulfoxide/citric acid. H. Kawasaki, R. Arakawa COLL 212. Effects of ALD layers on magnesium anode interface chemistry. E. Sahadeo, C. Lin, G. Rubloff, S. Lee COLL 213. Effects of antifreeze proteins and their hyperactive mutants on calcite crystallization. A. Kishish*ta, J.J. Lugo, F. Rojas, J.O. Castellon, X. Wen COLL 214. Encapsulation of plasmid DNA by cationic nanocarriers for cellular uptake by microspores. J. Cho, P. Bhowmik, S. Dodard, P. Polowick, G. Nowak, H. Fenniri, U. Hemraz COLL 215. Engineered antibacterial nanosurfaces for field hospitals. J.W. Moxley, T. Webster COLL 216. Engineering immune cell-derived hybrid exosomes for tumor-targeted drug delivery. S. Rayamajhi, T. Nguyen, A. Eliyapura, R. Marasni, S. Aryal COLL 217. Engineering the magnetic permeability in magnetic nanoparticles using dendritic ligands. J.D. Lee, D. Jishkariani, H. Yun, T. Paik, J.M. Kikkawa, C.R. Kagan, B. Donnio, C.B. Murray COLL 218. Engineering the titania nanostructure to optimize visible light-driven antimicrobial properties. S. Wickramasinghe, Z. Jiang, X. Yu, A.C. Samia COLL 219. Enhanced charge separation in nitrogendoped graphene quantum dots/graphitic C3N4 lateral heterostructures for photocatalytic H2 evolution. K. Yu, M. Goh COLL 220. Enzyme-polymer-cellulose colloids: Enzymes interlocked in the fibrous matrix of cellulose with enhanced stability while preserving activities. C. Riccardi, C.V. Kumar, R. Kasi COLL 221. Fabrication of 1D photoreflective multilayered films by layer-by-layer assembly and transfer method. A. Jung, N. Ha, M. Hwang, B. Kim, B. Yeom COLL 222. Fabrication of drug-eluting coatings by harnessing electrostatic interactions with native protein films. S. Gopalakrishnan, L. Wang, Y. Lee, V.M. Rotello COLL 223. Facile synthesis of iron oxide nanoparticles using atmospheric-pressure microplasmas. L. Ching Yu COLL 224. Fast dopant migration in Mn:CdS/CdZnS/ZnS core/shell/shell quantum dots. E. Hofman, Z. Li, A.H. Davis, W. Zheng COLL 225. Functionalized nanodiamonds in the investigation of aggregation phenomena. L. Lott, C. Winstead Casson COLL 226. Generation of anisotropic gold and Au-Pd bimetallic nanoparticles on functionalized surfaces. V. Gerios, A. Peer, K. Bandyopadhyay COLL 227. Highly anisotropic PtCu alloy nanoframes used as efficient electrocatalysts for oxygen reduction and methanol oxidation. X. Cui, Z. Zhang, H. Zhang COLL 228. High-performance shear thickening behavior of a colloidal suspension of core-shell structure particles originated by inter-particle hydrogen bonding. H. Son, K. Kim, J. Kim, K. Yoon, Y. Lee, H. Paik COLL 229. Hollow particles templated from Pickering emulsion and its application in coating shrinkage reduction. X. Wang, G. Sun, R. Liu COLL 230. Impact of interfacial and bulk interactions between novel amphiphilic hydroxypropyl cellulose derivatives and bile salts on lipid digestion. J. Zornjak, D. Novo, K.J. Edgar, C. Fernandez Fraguas COLL 231. In vivo antitumor effect of anti-Mammaglobin-A antibody conjugated to (-)-epicatechin loaded chitosan nanoparticles in a murine model of breast cancer. A. Perez Ruiz, I. Olivares Corichi, F. Ganem Rondero, J. García Sánchez COLL 232. In vivo gene editing in mice through systemic delivery of CRISPR/Cas9-ribonucleoprotein. Y. Lee, D. Luther, Y. Liu, L. Castellanos, J. Hardie, R.W. Vachet, V.M. Rotello

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TECHNICAL PROGRAM

5:30 – 7:30 COLL 156. Using assembly of a chromonic mesogen to enable isolation and ligand-receptor binding studies of bacterial pilin protein. A. Ibanez, Y.Y. Luk COLL 157. Trapping of antibacterial agents within hydrophobic films of polyphosphazene polyelectrolytes. V. Albright, H. Hlushko, H. Nelson, C. Co, S. Armbrister, S. Hernandez, M. Andreo, A. Jayaraman, A. Marin, A.K. Andrianov, S.A. Sukhishvili COLL 158. Engineered functional amyloids as bionanomaterials: A synthetic biology approach. E. Sahin Kehribar, M.E. Isilak, E. Kalyoncu, U. Seker COLL 159. Fluorescent single protein nanoparticles with dimensions controlled at angstrom resolution and improved thermal stability. J. Ding, J. He, C.V. Kumar

TECHNICAL PROGRAM

COLL COLL 233. Infiltration and crystallization behavior of calcium carbonate precursor formulations in porous materials. A.M. Hoyt, H. Cölfen COLL 234. In-situ electron diffraction tracking fast oxidation of nickel nanoparticles at ambient pressure. Y. Jian, X. Zhang, Y. Wang, Y. Wang COLL 235. Interaction of silver nanoparticles with epidermal growth factor (EGF) in physiological media: Evaluation for their potential use in systems that improve the regeneration of epithelial tissues. L. Palomino, S. Carney, M.R. Gakiya, A. Camardo, A. Ramamurthi, J.C. Rodriguez-Reyes COLL 236. Investigating the impact of nanoparticle shape on single nanocrystal photophysics. J.J. Peterson, B. Mehlenbacher COLL 237. Investigation of selective growth of ALD alumina on functionalized HOPG surfaces. M. Trought, I. Wentworth, T.R. Leftwich, K.A. Perrine COLL 238. Kinetic study of the adsorption of methylene blue onto chitosan: Evidence for non-Arrhenius behavior. A.H. Pinto, J. Kellner-Rogers COLL 239. Kinetics of amino acid induced aggregation of silver nanoparticles. K.I. Peterson, J. Smith, D.P. Pullman COLL 240. Kitchen Chemistry 102: Exfoliation of alphazirconium phosphate with proteins in a blender as an alternative to exfoliation by tetrabutyl ammonium hydroxide. M. Malhotra, C.L. Baveghems, C.V. Kumar COLL 241. Laundering study of current and future FRACU (Flame-Resistant Army Combat Uniform) candidates. P. Yip COLL 242. Long range interaction between corannulene molecules on (111) surface of noble metals. X. Wen, K. Wu COLL 243. Magneto/plasmonic nanoliposomes for drug delivery applications: Synthesis and characterization. G. Stiufiuc, S. Nitica, V. Toma, A. Moldovan, C. Iacovita, M. Lucaciu, R. Stiufiuc COLL 244. Management of gold nanorod synthesis with poly(vinylpyrrolidone) of different molecular weights in minor concentration. K.I. Requejo Roque, A. Liopo, E. Zubarev COLL 245. Manganese doped two-dimensional CdS/ZnS core/shell nanoplatelets. A.H. Davis, W. Zheng, E. Hofman, K. Chen COLL 246. Detection of the onset of aggregation as a function of pH of iron oxide nanopowder by dynamic light scattering. L. Szwast COLL 247. Measurement of carbon black particle size using a disc centrifuge photosedimentometer. L. Szwast COLL 248. Measurement of graphene particle size using laser obscuration time technique. L. Szwast COLL 249. Measurement of water partial molar volume in Aerosol-OT reverse micelles via microscopic imaging of the liquid surface. C. Gallis, Z. Rickard, J.C. Deak COLL 250. Mesoporous graphene oxide-zeolite composites for efficient dye removals. Y. Chang, Y. Chou, Z. Dai, Y. Yeh, Y. Liu COLL 251. Micellar water characterization: A laser light scattering application. D. Castro COLL 252. Modeling of nanoparticle immersion and selfassembly at liquid-air interfaces. T.T. Nitka, L. Vukovic COLL 253. Multicolored protein colloidal particles: Rational methods to enhance their photostabilities. M. Limbacher, B.S. Stromer, J. Waldman, C.V. Kumar COLL 254. Multigram synthesis of Cu-Ag nanowires and its application in 3D printing. M.A. Cruz, B.J. Wiley COLL 255. Multimicrometer noncovalent monolayer domains on layered materials through thermally controlled Langmuir−Schaefer conversion for noncovalent 2D functionalization. T.R. Hayes, J. Bang, T.C. Davis, C.F. Peterson, D.G. McMillan, S.A. Claridge COLL 256. Multi-stimuli responsive Pickering emulsion based on coumarin surfactants and silica nanoparticles. Y. Shijie, J. Jiang, Z. Cui COLL 257. Multi-stimuli responsive wormlike micelles based on conventional surfactants. Q. Xu, J. Jiang, Z. Cui COLL 258. Nanofibrous scaffolds produced by electrospinning, rotary-jet spinning and airbrush for orthopedic tissue regeneration. P. Ghannadian, J.W. Moxley, M. De Paula, T.J. Webster COLL 259. Nanogels of hyaluronic acid bi-modified with epigallocatechin-3-gallate and curcumin: Potent nanoinhibitor on amyloid β-protein aggregation and cytotoxicity. Z. Jiang, X. Dong, Y. Sun COLL 260. Nanozymes for controlling localization and kinetics of bio-orthogonal reactions. R. Das, G.Y. Tonga, R.F. Landis, P. Puangploy, M. Knapp, V.M. Rotello COLL 261. New approach of synthesizing anisotropic iron oxide nanoparticles with enhanced T2 relaxation for MRI applications. S. Wickramasinghe, S.F. Situ, E.C. Abenojar, B.O. Erokwu, C.A. Flask, Z. Lee, A.C. Samia

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COLL 262. New nanocomposites of silicon polymers and noble metal nanoparticles for applications in 3D printing. B.P. Chauhan, N. Ampomah, K. Moran, Q. Johnson COLL 263. Nitrogen-doped graphene quantum dots/TiO2 composite for photocatalysis. R. Lawrence, M. Goh COLL 264. Novel synthetic method of chitosan functionalized liposomes as an innovative nanocarrier for chemotherapeutic drugs. L. Hyppolite COLL 265. On the shuttling mechanism of a chlorine atom in a chloroaluminum phthalocyanine based molecular switch. H. Song, H. Zhu, K. Wu COLL 266. Organic solvent dispersion of two-dimensional titanium carbide by the surface functionalization. D. Kim, C. Koo, S. Cho COLL 267. Outstanding radical scavenging of transition metal dichalcogenide nanosheets via defect-mediated one-step hydrogen atom transfer in aqueous media. J. Kim, J. Lee, S. Hong, J. Kim COLL 268. Pegylation of β-cyclodextrin for increased water solubility and biocompatibility in drug delivery applications. K.T. Nguyen, R. Manasi, L. Rodriguez, Y. Ba COLL 269. Photoinduced metallic particle growth on single crystal relaxor ferroelectric strontium barium niobate. E. Barnes, E. Alberts, L.C. Mimun, J. Brame, C. Warner, A.R. Harmon, A.R. Poda COLL 270. Polymeric nanoassemblies for direct delivery of active therapeutic proteins. D.C. Luther, Y. Lee, F. Scaletti, R. Landis, V.D. Chaplin, M. Mingroni, L. Wang, M. Ray, R. Mout, V.M. Rotello COLL 271. Polymeric pH-activated nanoparticles for lipotoxic cell application. K. Lopes, J. Zeng, M.W. Grinstaff COLL 272. Predominated thermodynamically controlled reactions for suppressing cross nucleations in formation of multinary substituted tetrahedrite nanocrystals. S. Bera COLL 273. Preparation of flexible silver-colored organic crystals. K. Yamada, Y. Takahashi, Y. Kondo COLL 274. Probe aggregation into the interfaces between mimicking raft and non-raft domains, induced by peptide nucleic acid (PNA) duplexes. Y. Oka COLL 275. Production of bimetallic nanoparticles in vapor phase. N. Sakono, K. Omori, K. Yamamoto COLL 276. Production of golden luster by mixing an azobenzene derivative with liquid crystals. K. f*ckushima, Y. Takahashi, Y. Kondo COLL 277. Programmable DNA nanoparticle: Self-assemblly of pH-triggered nucleic acid ion complex. N. Miyamoto, Y. Kitade COLL 278. Protein-polymer colloids: 17-fold enhanced activities of cytochrome c conjugated with poly(acrylic acid). K.R. Benson, J. Gorecki, A. Nikiforov, R. Kasi, Y. Lin, C.V. Kumar COLL 279. QCM-D and spectroscopic study of cholesteric liquid crystals for temperature-responsive materials. K. Swana, P. D’Angelo, S. Levit, R. Stwodah, M. Gillard, C. Tang COLL 280. Rapid and scalable synthesis of sub-10 nm metal nanoparticles in on-the-fly aerosols. Y. Yang, P. Ghildiyal, M.R. Zachariah COLL 281. Role of slurry chemistry on the nanoparticle redox behavior relevant to the shallow trench isolation chemical mechanical planarization process. T. Zubi, C. Saucedo, K. Wortman-Otto, C. Graverson, J.J. Keleher COLL 282. Seedless, one-pot synthesis of infrared-absorbing silver nanoparticles. N. Yamamoto, D.P. Pullman COLL 283. Self-healing, antibacterial host-guest coating doped nanoparticles. L. Ge COLL 284. Self-propelled water based organo-silanes on glass. M. Vasei, S. Poirier COLL 285. Silica modified candle soot layer-based SERS substrates for the ultrasensitive detection of biological molecules. W. Qian COLL 286. Single-particle tracking for the routine characterization of polydisperse nanoparticle solutions. X. Gong, M. Park, K. Silmore, D. Parviz, T. Lew, M. Strano COLL 287. Solution synthesis of rectangular copper nanotubes and gold nanohelices. Y. Chang, Y. Chang COLL 288. Solution-based crystal phase engineering of noble metal nanostructures. Y. Chen, Z. Fan, H. Zhang COLL 289. Steering DBPET porous networks by the co-play σ-hole interactions of Br```S & Br```Br. L. Xing, Z. Huang, K. Wu COLL 290. Study of the influence of pH and ionic strength on the stability of melamine formaldehyde (MF) resin by field flow fractionation technique. L. Farmakis, J. Kapolos, A. Koliadima

COLL 291. Successive ultraviolet irradiation of mixed monolayers removes molecules and re-orders self-assembled domains. C. Gerber, R. Quardokus COLL 292. Supramolecular assembly onto polymersupported Au monolayers fabricated via chemical lift-off lithography. G.A. Vinnacombe, K.M. Cheung, G.E. Kunkel, A.E. Trojniak, A. VanZanten, M.E. Anderson, P.S. Weiss COLL 293. Surface chemistry and spectroscopy study of α-synuclein and the NAC part. O. Olaluwoye, S. Alrashdi, R. Castillo, C. Wang COLL 294. Surface engineering of graphene materials for advancing antimicrobial performance. W. Kim, J. Son, H. Cho, S. Kim, J.S. Jeon, E. Cho COLL 295. Surface functionalization of catanionic SDBS/ CTAT vesicles. M. Hurley, P. Zayka, E. Holt, N. Soto, E. Robinson, P.R. DeShong COLL 296. Sustainable glucose oxidation with enzymatic magnetically recoverable catalysts. B. Lawson, E. Golikova, A. Sulman, B.D. Stein, N. Lakina, A. Karpenkov, E. Sulman, V. Matveeva, L. Bronstein COLL 297. Synergistic nanosponge-antibiotic therapy for the treatment of biofilm associated infections. C. Li, X. Chen, R. Landis, A. Gupta, J.M. Makabenta, V.M. Rotello COLL 298. Synthesis and characterization of compositioncontrollable platinum-copper-cobalt nanoalloy catalysts. D. Caracciolo, D.M. Adrion, S. Shan, R. Robinson, J. Luo, C. Zhong COLL 299. Synthesis and evaluation of polyglycerol carbonate/polyester blend nanocarriers for pacl*taxel delivery. R. Sabatelle, I. Ekladious, N. Varongchayakul, C. Bordeianu, Y.L. Colson, M.W. Grinstaff COLL 300. Synthesis and properties of surface functional hyperbranched polymer nanoparticles. Y. Lee, B. An COLL 301. Synthesis and self-assembly of magnetoplasmonic nanoparticles. D. Lu COLL 302. Synthesis of alkanethiolate-capped palladium nanoparticles through reversed alkyl thiosulfate addition to control core size & tune surface ligand density. K.M. Vargas, K. San, Y. Shon COLL 303. Synthesis of composition tunable platinum-based ternary nanoalloy catalysts for fuel cell applications. Z. Wu, E. Hopkins, K. Park, S. Yan, J. Wang, J. Wen, J. Luo, L. Wang, C. Zhong COLL 304. Synthesis of eco-friendly biosurfactants from vegetable oils and characterization of interfacial properties for cosmetics and household products. D. Yea, S. Jo, J. Lim COLL 305. Synthesis of high quality bio-graphene suspensions in water for use in a nyctinastic radiator for outer space solar arrays. M.K. Puglia, M. O’Neill, C.V. Kumar COLL 306. Synthesis of mesoporous silica decorated with titania nanoparticles and their photocatalytic activities. B. Kim, A. Jung, M. Hwang, B. Yeom COLL 307. Synthesis, characterization and potential applications of nanoparticles based on naturally-occurring polymers. O. Kvak, M. Goh COLL 308. Synthesis, self-assembly and gelation studies of ninhydrin based unnatural α-amino acids as low molecular mass gelators. F. Zerin, J. Sloop, A.V. Mallia COLL 309. Targeted gene regulation by an enzyme degradable nucleic acid nanocapsule. A. Hartmann, D. Cairns-Gibson, H. Barber, J.L. Rouge COLL 310. Assessment of bacterial interactions with surfaces through the estimation of the adsorption free energy. N. Kotoulas, M. Goh COLL 311. Highly reproducible and eco-friendly synthesis and characterization of silver nanocrystals and their potential anticancer therapeutic properties. D. LomeliMarroquin, R. Rangel-López, A. Nieto Arguello, D. ZárateTriviño, J. Cholula-Díaz COLL 312. Thermodynamics of DNA looping for origami folding. J.M. Majikes, D. Schiffels, M. Zwolak, S.P. Forry, J.A. Liddle COLL 313. Tuning properties of a family of azo-cholesterol liquid crystals for application as photo-controllable reaction media. V. Chang, C. Li, C.J. Barrett COLL 314. Tuning the surface architecture of silver nanoparticles for use as anti-viral agents. H. Wu, D. Demchenko, K.M. Stedman, M.R. Mackiewicz COLL 315. Ullmann-like surface reactions and self-assembly of dibromobenzenes and dibromo-bithiophenes. M. Wolf, R. Quardokus COLL 316. Ultrathin PdCu alloy nanosheets for highly efficient electrocatalytic formic acid oxidation. H. Cheng, N. Yang, H. Zhang COLL 317. Understanding nanoparticle growth mechanism with liquid cell TEM and computational analysis. J. Kim, B. Kim, J. Park

SECTION A Boston Convention & Exhibition Center Exhibit Hall A

Nanomaterials Posters J. A. Hollingsworth, R. Nagarajan, Organizers 5:30 – 7:30 COLL 321. Measurement of Escherichia coli using hemoglobin-capped fluorescent gold nanoclusters. S. Tan, X. Pan, J. Kuo, T. Chang, K. Chen, T. Kuo COLL 322. Geometric and optical transformation of a supramolecular host-guest amphiphile. C. Lo, J. Tian, W. Lindemann, J. Ortony COLL 323. 2D materials confined water. Q. Li COLL 324. Laser pulse induced growth of unaggregated Sub-5 nm metal nanoparticles in free-standing graphene films. Y. Yang, D.J. Kline, P. Ghildiyal, M.R. Zachariah COLL 325. Mechanism of osteocalcin interactions with hydroxyapatite surfaces and hydrogen phosphate precursors for bone mineralization. M. Tavakol, S. Hoff, J. Liu, H. Heinz COLL 326. Modulation of mechanical properties of organic cocrystals and crystal designing: Impacts of isostructural and polymorphic functional groups. K.K. Ray, S.M. Oburn, K.M. Hutchins, T.P. Rupasinghe, D.C. Swenson, L. MacGillivray, A.V. Tivanski COLL 327. Fabrication of monodisperse polymerc microparticles coated with silica through droplet based microfluidic system. D. Kim, S. Jin, S. Jeong, B. Lee, K. Kang, C. Lee

SECTION A Boston Convention & Exhibition Center Exhibit Hall A

Nanomedicines: From Fundamentals to Applications Posters Z. Gu, G. Han, Z. Wang, J. Xie, J. Zheng, Organizers 5:30 – 7:30 COLL 328. Surface-ligand effect on radiosensitization of ultrasmall luminescent gold nanoparticles. X. Jiang COLL 329. Using atomic force microscopy to evaluate ligand-mediated stabilization of EGaIn liquid metal nanoparticles. S.S. Akhter, K. Dinyaryan, M.C. Foster COLL 330. Room-temperature ionic liquid based nanoemulsions: Synthesis and formulation for delivery of poorly water soluble active pharmaceutical agents. M.M. Esson, S. Mecozzi COLL 331. Mechanically tunable inter-bonding, assembly and macrostructures of nanoparticles in biominerals. Z.R. Tian, L. Hua COLL 332. Development of novel nanostructured pharmaceuticals to enhance solubility and overall biological performance. R.V. Jones, E. Manek, F. Darvas

SECTION A Boston Convention & Exhibition Center Exhibit Hall A

Surface Chemistry Posters S. L. Tait, Organizer 5:30 – 7:30 COLL 333. Comparing macrocycle assembly at surfaces and in solution: 2D stacking and 3D packing. H.D. Castillo, J.M. Espinosa Duran, J. Dobscha, S. Debnath, J. Yang, Y. Sereda, K. Raghavachari, A.H. Flood, P. Ortoleva, S.L. Tait COLL 334. Preparation of fabrics with directional watertransport property. L. Lao, D. Shou, Y. Wu, J. Fan COLL 335. Wax patterning on flexible plastics for biomedical, microfluidic and electrochemical applications. A.Z. Qamar, S. Chen, K. Amar, P. Kohli, F. Chowdhury, M. Shamsi COLL 336. Transitioning to the field: Operando effects on chemical warfare agent decontamination with zirconium hydroxide. R. Balow, G.C. Daniels, M.L. McEntee, W.O. Gordon, G. Peterson, J.H. Wynne, P.E. Pehrsson

COLL 337. Quantum mechanical derived description of physical adsorption. J.B. Condon COLL 338. Molecular detection and analysis of exosomes using surface-enhanced Raman scattering gold nanorods and a miniaturized device. E. Kwizera, X. Huang, R.T. O’Connor

MONDAY MORNING SECTION A Boston Convention & Exhibition Center Room 152

Biomaterials & Biointerfaces Engineering the Interface A. P. Goodwin, V. Gordon, Organizers W. Shields, Presiding 8:30 Introductory Remarks. 8:35 COLL 339. Interfacial structuring of chitosan hydrogel provide enhanced wear protection. X. Banquy, J. Faivre, G. Sudre, A. Montembault, S. Benayoun, T. Delair, L. David 8:55 COLL 340. Mussel-inspired cellulose nanocomposite tough hydrogels with synergistic self-healing, adhesive and strain sensitive properties. C. Shao 9:15 COLL 341. Glycocalyx mimetic surfaces reduce blood protein adsorption and fibrin polymerization. M. Hedayati, M.M. Reynolds, D. Krapf, M. Kipper 9:35 COLL 342. Synergistic action of hyaluronic acid and lubricin prevents surface adhesion in articular joints. H. Ye, R. Su, W. Greene, R. Huang, W. Qi, Z. He 9:55 COLL 343. Enhancing and tuning the lectin binding behavior by functionalization of gold nanoparticles with precision glycomacromolecules. S. Boden, K. Wagner, M. Karg, L. Hartmann 10:15 Intermission. 10:35 COLL 344. Interfacing electron transfer proficient cells with metal surfaces using DNA. A.L. Furst, M.B. Francis 10:55 COLL 345. Ladderane phospholipids form dense, low-polarity membranes with low proton/hydroxide permeability. F.R. Moss, S. Shuken, J. Mercer, C. Cohen, T. Weiss, N.Z. Burns, S.G. Boxer 11:15 COLL 346. Tetrazine ligation-mediated layer-by-layer deposition for the development of antifibrotic patches. H. Zhang, A. Ravikrishnan, X. Jia, J.M. Fox 11:35 COLL 347. Supramolecular surfaces for protein immobilisation. G. Di Palma, P. Mendes

SECTION B Boston Convention & Exhibition Center Room 153A

Colloidal & Interfacial Science in Separation Processes S. Ponnurangam, P. Somasundaran, Organizers I. Chernyshova, Q. Liu, Organizers, Presiding 8:30 COLL 348. Metal – modified hydroxyapatites and their affinities for ions and molecules in solution. S. Alexandratos, A. Ashfaq, H. Benhaim, M. Kotlyar, R. Yeahia 9:00 COLL 349. Design of batch, semi-batch, and continuous reactor through superhydrophobic filter. H. Hu, M. Lehtinen, G. Liu 9:25 COLL 350. Tunable and repeatable dye adsorption/ desorption via organosilica nanoparticles with an intrinsic amine. F. Chen, E. Zhao, J.V. Jokerst 9:45 COLL 351. Effect of crystallite-size on the physical and chemical properties of nano-oxides. S. Chan 10:05 Intermission. 10:20 COLL 352. Encapsulation of nanoscale hybrid materials for innovative CO2 capture. W. Yu, M. Gao, A.A. Park 10:50 COLL 353. Nanocomposite foam involving boron nitride nanoplatelets and polycaprolactone: Porous structures for oil spill cleanup. L. Zhang, X. Tantai 11:10 COLL 354. Chiral selectivity in heterogeneous catalysis. R.C. Chapleski, S. Roy

SECTION C Boston Convention & Exhibition Center Room 156C

Frontiers & Challenges in Nanoparticle-Mediated Chemical Transformations Nanocatalysis for Renewable Energy H. Fan, Y. Sun, Organizers J. He, Organizer, Presiding 8:30 Introductory Remarks. 8:35 COLL 355. Nanoparticle electrocatalysts for chemical valorization of carbon dioxide. P. Yang, D. Kim

9:05 COLL 356. Tuning catalytic activity in bimetallic transition metal phosphides via composition control. S.I. Mutinda, D.M. Liyanage, D. Li, S.L. Brock 9:35 COLL 357. Interfacial engineering in two-dimensional nanomaterials for electrochemical/photoelectrochemical water splitting. X. Feng 10:05 Intermission. 10:20 COLL 358. Designing nanoparticle/electrolyte interfaces for dye-sensitized solar fuels. Y. Wu 10:50 COLL 359. Sequential partial cation exchange reactions as a pathway to complex heterostructured nanoparticle libraries. J.L. Fenton, B. Steimle, R.E. Schaak 11:20 COLL 360. Cesium lead halide perovskite nanocrystals for designing tandem architectures. V. Ravi, R. Scheidt, P.V. Kamat 11:50 COLL 361. Nanocatalysts for green fuel production. H. Zeng

SECTION D Boston Convention & Exhibition Center Room 157A

Heating with Colloidal Nanoparticles: Physical Mechanisms & Applications in Life Science P. del Pino, L. Liz Marzan, W. Parak, Organizers S. Carregal-Romero, Presiding 8:30 COLL 362. Thermoplasmonics: Fundamentals and application to targeted hyperthermia. R. Quidant 9:00 COLL 363. Photothermal-driven drug-delivery nanoplatform based on plasmonic zeolitic imidazolate frameworks. C. Carrillo Carrion, P. del Pino 9:30 COLL 364. Luminescent nanoparticles to optically monitor plasmonic heating within the biological windows. M. Quintanilla, I. García, I. de Lázaro del Rey, S. Vranic, A. Sánchez-Iglesias, K. Kostarelos, L. Liz Marzan 10:00 Intermission. 10:30 COLL 365. Nanomaterials for cell tracking applications - How to enhance the contrast. N. Feliu, W. Parak 11:00 COLL 366. Stem cells transporting gold nanorods. J.M. Berlin 11:30 COLL 367. Heparin and clotting time measurements via photoacoustic imaging and a silica-nanoparticle/ hydrogel hybrid. J. Wang, F. Chen, S. Arconada, J.V. Jokerst

SECTION E Boston Convention & Exhibition Center Room 157B

Nanomaterials R. Nagarajan, Organizer J. A. Hollingsworth, Organizer, Presiding 8:30 COLL 368. N- and P-doping of colloidal nanocrystal and nanowire assemblies. C.R. Kagan 9:00 COLL 369. To dope semiconductor nanocrystals: Chalcogenides to perovskites. N. Pradhan 9:30 COLL 370. Hybrid materials based on colloidal nanocrystals: From synthesis to emerging properties for energy storage in chemical bonds. R. Buonsanti 10:00 COLL 371. Synthesis, characterization and lightinduced spatial charge separation in Janus graphene oxide. A. Holm, J. Park, E.D. Goodman, J. Zhang, R. Sinclair, M. Cargnello, C.W. Frank 10:20 COLL 372. From inside out: How buried interface, defects and surface determines performance of two giant core-shell quantum dots. A. Singh, S. Majumder, N.J. Orfield, H. Htoon, J.A. Hollingsworth, K. Bustillo, J. Ciston 10:40 COLL 373. Aggregation-induced emission in lamellar solids of colloidal perovskite quantum wells. C. Shih 11:00 COLL 374. Spectroscopic evidence of conduction band fine structure in colloidal HgTe quantum dots with well-defined intraband transitions. M.H. Hudson, M. Chen, P. Guyot-Sionnest, D. Talapin 11:20 COLL 375. Blue perovskite nanocrystals for quantum dot light emitting diodes. M. Gangishetty, S. Hou, Q. Quan, D. Congreve 11:40 COLL 376. Controlled dopant migration in core/shell semiconductor nanocrystals. W. Zheng

SECTION F Boston Convention & Exhibition Center Room 157C

Understanding Nano-Bio Interactions: Implications for Bio-Imaging, Diagnosis & Treatment B. Kim, S. Wilhelm, Organizers, Presiding 8:30 COLL 377. Initial surface chemistry of nanoparticles has cascading impacts on biological systems. C.J. Murphy

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TECHNICAL PROGRAM

COLL 318. Understanding surface-mediated, emergent plasmonic properties of degenerately doped Cu2-xSe semiconductor nanoparticles. X. Gan, L. Marbella, D. Kaseman, J. Millstone COLL 319. Viscosity and surface tension effects on metal sputtered onto low vapor pressure liquids. M.M. De Luna, M. Gupta COLL 320. Water interaction with NiFe-based oxide films on Pt(111)/Al2O3(0001). E. Carrasco, M.A. Niño, P. Perna, J. Camarero, D. Ecija, R. Miranda

TECHNICAL PROGRAM

COLL 9:00 COLL 378. Engineering unusual properties on the nanoscale: Smart nanomicelles for targeting tumor microenvironments. S. Nie, J. Du 9:30 Intermission. 9:40 COLL 379. Gold nanoparticle radiosensitization – the road traveled, the road ahead. S. Krishnan 10:10 COLL 380. Porphysome nanotechnology: From discovery to translation. G. Zheng 10:40 Intermission. 10:50 COLL 381. Thermally triggered nano-assassins for pancreatic cancer therapy. C. Hoskins 11:20 COLL 382. Exploring nanoparticle architecture to design small, bright upconverting nanoparticles for bioimaging. C. Siefe, R. Mehlenbacher, S. Fischer, A. Lay, J. Dionne 11:40 COLL 383. Design and surface engineering of upconversion nanoparticles for bioassays. M. Buchner, V. Muhr, S.F. Himmelstoss, L.M. Wiesholler, T. Hirsch 12:00 COLL 384. Mechanosensitive upconverting nanoparticles for visualizing mechanical forces in vivo. A. Lay, C. Siefe, S. Fischer, R. Mehlenbacher, A. Das, A. Nekimken, F. Ke, W.L. Mao, B. Pruitt, B.E. Cohen, P. Alivisatos, M. Goodman, J.A. Dionne

SECTION G Boston Convention & Exhibition Center Room 252B

Nanomedicines: From Fundamentals to Applications Delivery & Transport Z. Gu, G. Han, J. Xie, Organizers Z. Wang, J. Zheng, Organizers, Presiding 8:30 COLL 385. Therapeutic modification of the tumor microenvironment to overcome intratumoral transport barriers for nanomedicine. J. Panyam 9:00 COLL 386. Precision polymer architectures and molecular conjugates to enable therapeutics against undruggable targets. C. Duvall 9:30 COLL 387. Controlling in-vivo fate of liposomes using a photocleavable PEG corona. A. Kros 9:50 COLL 388. Multicompartmental nanoparticles for controlled release of combination therapies. J. Lahann 10:20 COLL 389. Engineered lipid-antibody based nanoassemblies for painting and surface modifications of red blood cells for therapy of blood borne cancers. W.J. Smith, L.G. Nilewski, N.C. Gianneschi, D. Simberg 10:50 COLL 390. Integrating synthetic protein chemistry and nanoparticles for intracellular delivery and targeted cancer therapy. M. Wang, X. Yang 11:20 COLL 391. Neutrophil-based drug delivery systems. Z. Wang 11:50 COLL 392. Tailoring renal clearance and tumor targeting of ultrasmall metal nanoparticles with particle density. S. Tang, J. Zheng, C. Peng, J. Xu, B. Du, M. Yu

SECTION H Boston Convention & Exhibition Center Room 160A

Synthetic Self-Assembled Systems for Drug & Nucleic Acid Delivery: New Materials, Formulation Strategies, Targeting, Toxicity & Regulatory Issues K. Sakurai, Organizer M. A. Ilies, Organizer, Presiding 8:30 COLL 393. Delivery of chemically modified siRNAs for human therapeutics: From principles to patients. M. Manoharan 9:00 COLL 394. Attenuation of maladaptive responses in aortic adventitial fibroblasts through stimuli-triggered siRNA release from lipid-polymer nanocomplexes. M.O. Sullivan 9:30 COLL 395. DyNAvectors: Dynamic constitutional vectors for adaptive DNA delivery. M. Barboiu 10:00 Intermission. 10:15 COLL 396. Induction of potent cytotoxic T-lymphocyte activity using two types of polysaccharides. S. Mochizuki, A. Moritaka, K. Sakurai 10:45 COLL 397. Lymph node targeting of potent TLR7/8 agonist via acid sensitive amphiphilic polymers with high serum stability. B. De Geest, S. Van Herck 11:15 COLL 398. Synthetic charge-invertible micelles for rapid and complete implantation of LbL drug films coated on microneedle patches for enhanced transdermal vaccination. Y. He, C. Hong, J. Li, M.T. Funkenbusch, Y. Li, D.J. Irvine, P.T. Hammond

SECTION I Boston Convention & Exhibition Center Room 160B

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Colloid & Surface Chemistry in Industry: Applications & Career Opportunities Cosponsored by PROF H. Fairbrother, N. A. Falk, L. Tribe, Organizers, Presiding 8:30 Introductory Remarks. 8:35 COLL 399. R&D careers at Clorox: My experience from grad school to industrial career. N.A. Falk 8:55 COLL 400. Careers in the startup environment. B. Smith 9:15 COLL 401. Emulsions with sustainable surfactants for personal care applications. K. Whitaker, B. Beeson, B. Johnson, C.E. Mohler 9:35 COLL 402. Chemistry and industrial careers. A. Morfesis 9:55 COLL 403. Importance of surfaces and interfaces in government and industry R&D. S.R. Carlo, C.M. Soto, D.H. Mayo, B.T. Horlor, J.M. Considine, D. Allen 10:15 COLL 404. Yes, HP Inc. is also a chemical company! S. Courtenay 10:35 COLL 405. LINX: Linking industry to neutrons & X-rays. G. Smith, E. Brok, M. Schmiele, L. Arleth, K. Mortensen 10:55 COLL 406. Applications of surface chemistry in the cosmetic industry. H.S. Bui, G.S. Luengo 11:15 COLL 407. Colloid and surface science in Cabot R&D. A.T. Nikova 11:35 COLL 408. Functional polycarbonate materials: Synthesis, modification, and application. N. Park

Ion Transport at the Nanoscale: Research & Capabilities at the DOE’s Nano Centers Sponsored by PRES, Cosponsored by ANYL, COLL, COMSCI, ENFL, ENVR, GEOC and SCHB

Molecular Understanding of the Structure & Reactivity of Mineral-Water Interfaces Sponsored by GEOC, Cosponsored by COLL and ENVR

Nanotechnology & Single Cell Analysis in Biology & Medicine: Next Frontier Sponsored by ANYL, Cosponsored by BIOL, COLL, MPPG and PHYS

Growing with Project SEED: 50 years and 10,000+ Students Sponsored by PRES, Cosponsored by AGFD, AGRO, ANYL, BIOL, BMGT, CARB, CINF, COLL, ENFL, ENVR, HIST, I&EC, ORGN, PROF and SCHB

Technical Developments & Applications of Optical Chemical Imaging Sponsored by ANYL, Cosponsored by BIOL‡, COLL and PHYS‡

Surface, Interface & Coating Materials Synthesis & Fabrication Sponsored by PMSE, Cosponsored by COLL and POLY

MONDAY AFTERNOON SECTION A Boston Convention & Exhibition Center Room 152

Biomaterials & Biointerfaces Engineering the Interface A. P. Goodwin, V. Gordon, Organizers A. L. Furst, Presiding 2:00 COLL 409. Mussel-inspired silicone oil swelling slippery surfaces with repeatable wettability recovering under extreme operating conditions. B. Jin, Q. Zhang, X. Zhan, F. Chen 2:20 COLL 410. Peptide adsorption on hydroxyapatite surfaces and implications on shape and mineralization: Impact of sequence and electrolyte pH. J. Liu, S. Hoff, C. Pramanik, T. Jamil, S. VanOosten, K. Boone, C. Tamerler, H. Heinz 2:40 COLL 411. Multifunctional macroporous biomaterial for drug delivery and efficient emulsion separations. A. Ghimire, D. Ndaya, R. Kasi, C.V. Kumar 3:00 COLL 412. Binding nanomaterials to living bacteria. H. Dong, D.A. Sarkes, J. Terrell, J.P. Jahnke, M. Hurley, D. Stratis-Cullum 3:20 COLL 413. Incorporating silica particles improves the adhesion, flexibility, and hemostatic efficacy of a polymer blend surgical sealant. J.L. Daristotle, S.T. Zaki, L. Torres Jr, L.W. Lau, A. Zografos, O.B. Ayyub, A.D. Sandler, P. Kofinas 3:40 Intermission.

4:00 COLL 414. Nanogels of zwitterionic polymer-curcumin conjugates function as a potent inhibitor of amyloid β-protein fibrillogenesis and cytotoxicity. G. Zhao, X. Dong, Y. Sun 4:20 COLL 415. Three ways of fine-tuning cell adhesion to synthetic surfaces. J.B. Schlenoff, R. Surmaitis, D. Delgado, C. Arias 4:40 COLL 416. kT-scale interactions between zwitterionic coated colloids and biomaterial surfaces. M.A. Bevan 5:00 COLL 417. Protein encapsulation using cationic copolymers in the presence of zwitterionic surfactants. A. Erfani, N.H. Flyn, J.D. Ramsey, C. Aichele

SECTION B Boston Convention & Exhibition Center Room 153A

Colloidal & Interfacial Science in Separation Processes Q. Liu, S. Ponnurangam, P. Somasundaran, Organizers I. Chernyshova, Organizer, Presiding E. Roberts, Presiding 2:00 COLL 418. Removal of silica from oil-sands produced water by electrocoagulation. E. Roberts, B. FuladpanjehHojaghan, T. Shu, N. Yasri, M. Trifkovic 2:25 COLL 419. Unconventional interfacial reactivity of metal sulfides: Relation to mineral separation. H.R. Kota 2:50 COLL 420. Silica supported sterically hindered amines for CO2 capture. J. Lee, C. Yoo, C. Chen, S.E. Hayes, C. Sievers, C.W. Jones 3:15 COLL 421. Novel conducting composites for enhanced separation of salt from brackish water. S. Ponnurangam, C. Ai, V.I. Birss 3:35 COLL 422. Redox interfaces for electrochemicallymediated separations of heavy metal contaminants. X. Su, T. Hatton

SECTION C Boston Convention & Exhibition Center Room 156C

Frontiers & Challenges in Nanoparticle-Mediated Chemical Transformations Ligand & Support Effects on Nanocatalysis H. Fan, J. He, Organizers Y. Sun, Organizer, Presiding 2:00 COLL 423. Controlling selectivity on metal nanoparticles with organic monolayers. J.W. Medlin 2:30 COLL 424. Plasmonic catalysis as a means for sustainable transformations. A.H. Moores, M. Landry, A. Gelle, C.J. Barrett 3:00 COLL 425. Synthesizing cooperative metal-support interfaces for catalysis. S. Dai 3:30 Intermission. 3:45 COLL 426. Chemical transformations in mesoporous transition metal oxides. S.L. Suib 4:15 COLL 427. Single-facet dominant anatase TiO2 (101) and (001) model catalysts to elucidate the active sites for alkanol dehydration. Y. Chen, L. Zhang, H. Wang, D. Mei, L. Kovarik, F. Gao, B. Sudduth, E. Iglesia, Y. Wang 4:45 COLL 428. Reactivity of a heterostructured plasmonic biomaterial: Gold nanoparticles on ferritin. D.R. Strongin, E.B. Cerkez, Y. Ghidey, A. Bruefach, F. Alimohammadi, A. Valentine

SECTION D Boston Convention & Exhibition Center Room 157A

Basic Research in Colloids, Surfactants & Nanomaterials Nanomedicine R. Nagarajan, Organizer C. Grazon, Presiding 2:00 COLL 429. Engineering the nano-bio interface for nanomedicine applications. K. Hamad-Schifferli 2:20 COLL 430. Assessment of nanoparticles disruption to quantify drug delivery in vitro. E. Nogueira, A. Loureiro, A. Cavaco-Paulo 2:40 COLL 431. Development of target-specific 2A3 antibody-conjugated gold nanoclusters for assessment of cancer progression and inhibition of cancer cell proliferation. J. Kuo, S. Tan, X. Pan, K. Chen, T. Chang, T. Kuo 3:00 COLL 432. Soysome: A new class of self-assembled colloid from soybean oil fatty acids for nanoscale drug delivery applications. M.A. Quadir, R. Chitemere, D.C. Webster 3:20 COLL 433. Structural remodeling of highdensity lipoproteins in patients with diabetes mellitus. C.L. Baveghems, S. Jayaraman, O. Gursky

SECTION E Boston Convention & Exhibition Center Room 157B

Nanomaterials J. A. Hollingsworth, R. Nagarajan, Organizers R. Buonsanti, Presiding 2:00 COLL 440. Colloidal nanocrystals of APbX3 perovskites [A=Cs+, CH(NH2)2+, X=Cl-, Br-, I-]: Surface chemistry, selfassembly and potential applications. M. Kovalenko 2:30 COLL 441. Utility of PEGylated dithiolane ligands for controlled synthesis of water-soluble metal nanocrystals. E. Oh, K. Susumu, C. Klug, J. Delehanty, A. Huston, I. Medintz 3:00 COLL 442. Continuous flow synthesis of semiconductor nanoparticles using a modular millifluidic platform. A. Vikram, V. Kumar, U. Ramesh, K. Balakrishnan, N. Oh, K. Deshpande, T. Ewers, P. Trefonas, M. Shim, P.J. Kenis 3:40 COLL 443. Synthesis of alloy nanoparticles via sputtering onto a liquid polymer. M.T. Nguyen, T. Yonezawa, L. Deng 4:00 COLL 444. Graphene inks as versatile templates for printing tiled metal oxide crystalline films. M. Liu, R. Hurt 4:20 COLL 445. Highly functionalised water-soluble fullerene derivatives: Cage size affects hierarchical selfassembled structures. I. Rasovic, K. Porfyrakis 4:40 COLL 446. Noncovalently functionalized 2D materials template solution growth of ultranarrow gold nanorods along 1-nm-wide rows of functional headgroups. A.G. Porter, T. Ouyang, T.R. Hayes, S.R. Russell, S.A. Claridge 5:00 COLL 447. Azide-alkyne click conjugation on quantum dots by selective copper coordination. V. Mann, A. Powers, D. Tilley, J. Sack, B.E. Cohen 5:20 COLL 448. New insights regarding the local atomic structure and magnetic properties in sub-10 nm iron oxide nanocrystals produced by a living growth process. S. Cooper, J.E. Hutchison

SECTION F Boston Convention & Exhibition Center Room 157C

Understanding Nano-Bio Interactions: Implications for Bio-Imaging, Diagnosis & Treatment B. Kim, S. Wilhelm, Organizers, Presiding 2:00 COLL 449. Mitigating the off-target toxicity of nanomedicines through controlled release. Y. Xia 2:30 COLL 450. Nanoparticle-based approaches to drug delivery to peripheral nerve for pain and other conditions. D.S. Kohane 3:00 Intermission. 3:10 COLL 451. Kidney-targeting peptide amphiphile micelles toward renal drug delivery. J. Wang, E. Chung 3:40 COLL 452. Multifunctional zero- and one-dimensional nanomaterials for imaging, sensing and multidrug delivery. A. Naumov, M. Hasan, E. Campbell, R. Gonzalez-Rodriguez, G. Akkaraju 4:10 Intermission. 4:20 COLL 453. Intrinsically radiolabeled nanomaterials. W. Cai 4:50 COLL 454. Enhancing nanoparticle delivery to the tumor with a targeted agent and light. M. Overchuk, K.M. Harmatys, S. Sindhwani, A.M. Syed, J. Chen, M.G. Pomper, W. Chan, G. Zheng

5:10 COLL 455. Novel catalytically active gold nanocrystals electrochemically grown in water by a continuous method. M. Merzlyakov, A. Dorfman, D.K. Pierce, D. Bryce, M. Mortenson 5:30 COLL 456. Electrochemically grown, clean surfaced gold nanocrystals exhibit a very favorable safety profile in rodents, canines, and humans. A. Dorfman, M. Hotchkin, M. Merzliakov, G. Frick, M. Mortenson

SECTION G Boston Convention & Exhibition Center Room 252B

Nanomedicines: From Fundamentals to Applications Imaging & Targeting Z. Gu, Z. Wang, J. Xie, Organizers G. Han, J. Zheng, Organizers, Presiding 2:00 COLL 457. SERS nanoparticles in medicine: New opportunities for spectroscopic cancer detection and imageguided surgery. S. Nie, L.A. Lane, R. Xue 2:30 COLL 458. Optically activated nanomedicines. T. Hasan 3:00 COLL 459. Patient-tailored immunotherapies enabled by multimodal ImmunoPET-Raman imaging. R. Bardhan, Y. Ou, A. Mahadevan-Jansen, T.E. Peterson, M. Nickels, H.C. Manning 3:20 COLL 460. Biomedical applications of porphyrinphospholipid liposomes. J.F. Lovell 3:50 COLL 461. Molecular afterglow imaging of semiconducting polymer nanoparticles. K. Pu 4:20 COLL 462. Ultrasound-triggered micro-to-nano conversion: Extending porphyrin-bubble theranostic potential beyond the vasculature. C. Pellow, D. Goertz, G. Zheng 4:40 COLL 463. Remotely targeted and triggered nanomedicine. D.S. Kohane 5:10 COLL 464. From molecules to mammals: Inventing luminescent nanoparticles for biology. G. Han 5:40 COLL 465. Design and preparation of near infrared absorbing BODIPY nanoparticles: Applications in photodynamic therapy. L. Huang

SECTION H

3:00 COLL 475. Nanotechnology innovations and career opportunities at Savannah River National Laboratory. S. Hunyadi Murph 3:20 COLL 476. Wettability modification to enhance productivity in natural gas wells. J.R. Baran 3:40 COLL 477. How to train students to be independent scientists at Colgate. L. Pan 4:00 COLL 478. Research career at an army laboratory: Colloid and surface science research to support soldier performance optimization. R. Nagarajan 4:20 COLL 479. Development and integration of dropletbased microfluidic technologies into industrial research. C. Nelson, N. Loufakis, K. Whitaker, D. Miller, A. Schmitt, A. Grzesiak, C.E. Mohler 4:40 Panel Discussion.

Ion Transport at the Nanoscale: Research & Capabilities at the DOE’s Nano Centers Sponsored by PRES, Cosponsored by ANYL, COLL, COMSCI, ENFL, ENVR, GEOC and SCHB

Molecular Understanding of the Structure & Reactivity of Mineral-Water Interfaces Sponsored by GEOC, Cosponsored by COLL and ENVR

Nanotechnology & Single Cell Analysis in Biology & Medicine: Next Frontier Sponsored by ANYL, Cosponsored by BIOL, COLL, MPPG and PHYS

Technical Developments & Applications of Optical Chemical Imaging Sponsored by ANYL, Cosponsored by BIOL‡, COLL and PHYS‡

Undergraduate Research Posters Colloid & Surface Chemistry Sponsored by CHED, Cosponsored by COLL and SOCED

Surface, Interface & Coating Materials Theory, Simulation & Mechanism Study Sponsored by PMSE, Cosponsored by COLL and POLY

Boston Convention & Exhibition Center Room 160A

MONDAY EVENING

Synthetic Self-Assembled Systems for Drug & Nucleic Acid Delivery: New Materials, Formulation Strategies, Targeting, Toxicity & Regulatory Issues

SECTION A Boston Convention & Exhibition Center Exhibit Hall B2/C

M. A. Ilies, K. Sakurai, Organizers M. Chorny, Presiding 2:00 COLL 466. Drug delivery for ovarian cancer: The role of surface chemistry and administration route for targeting therapeutics with layer-by-layer nanoparticles. S. Correa, N. Boehnke, A. Barberio, M.A. Quadir, E.C. Dreaden, P.T. Hammond 2:30 COLL 467. Biologically inspired design consideration for polymeric anticancer nanomedicine. S. Aryal, T. Nguyen, A. Pitchaimani, R. Marasni 3:00 COLL 468. Mutual prodrugs for treating aggressive neuroblastoma with biodegradable nanocarriers. I.S. Alferiev, D. Guerrero, F. Nguyen, P. Guan, V. Kolla, I. Fishbein, G.M. Brodeur, M. Chorny 3:30 Intermission. 3:45 COLL 469. Gd-DTPA-dialkylamine with o-NO2benzylalcohol group: Synthesis and self-assembled behaviors for T1-enhanced magnetic resonance imaging and lightcontrolled drug carriers. C. Liu, K. Ewert, Y. Li, C.R. Safinya, W. Qiao 4:15 COLL 470. Multiple stimuli-responsive fluorescent micelles based on the self-assembly hyperbranched polymer for drug delivery and release. M. Xu, H. Hailong 4:45 COLL 471. Remotely controlled assembly and biocatalytic release of cargo molecules. S. Minko, A. Zakharchenko, E. Katz

R. Nagarajan, Organizer 8:00 – 10:00 35, 62, 82, 120, 122, 130, 166, 177, 180, 182-183, 185-186, 188-189, 193-194, 197-199, 209-210, 213, 215-216, 220, 222, 225, 231-234, 237-238, 240, 242, 244, 250, 254-255, 258, 260, 272, 278, 280, 282, 291-292, 297-299, 302, 305, 312-313, 317-318, 326, 334, 336, 338, 384, 444-445, 454, 462. See previous listings. 523, 542, 600, 602, 604, 611, 614, 631, 681-682, 704, 715, 758, 775. See subsequent listings.

SECTION I Boston Convention & Exhibition Center Room 160B

Colloid & Surface Chemistry in Industry: Applications & Career Opportunities Cosponsored by PROF H. Fairbrother, N. A. Falk, L. Tribe, Organizers, Presiding 2:00 COLL 472. Mixing up better products in microgravity. M. Lynch 2:20 COLL 473. Research experiences at E Ink Corporation. J. Anseth 2:40 COLL 474. Working for a rapidly growing small company. R.I. Maccuspie

Sci-Mix

TUESDAY MORNING SECTION A Boston Convention & Exhibition Center Room 152

Biomaterials & Biointerfaces V. Gordon, Organizer A. P. Goodwin, Organizer, Presiding 8:30 COLL 480. Comprehensive screening of neuronal behavior on gradient micro-alignment topographies. R. McNaughton, Y. Huo, G. Li, H. Man, X. Zhang 8:50 COLL 481. Dampening immune responses with polyphenol multilayer coatings for islet transplantation. V.A. Kozlovskaya, J.M. Barra, H. Tse, E.P. Kharlampieva 9:10 COLL 482. Synthesis and design of a biomimetic conductive nanocomposite for responsive wound management technology. H.R. Lange, C.X. Loza, L.K. Werth, W.E. Chura, J.J. Keleher 9:30 COLL 483. Adaptation of charge and hydrophilicity of native protein on surfaces employing thermal treatment in fluorous media. S. Gopalakrishnan, L. Wang, Y. Lee, J. Zhu, S. Nonnenmann, V.M. Rotello 9:50 COLL 484. Investigating the morphological and mechanical properties of amyloid fibril formation using atomic force microscopy (AFM) for biomaterial applications. S. Gokalp, M.C. Foster 10:10 COLL 485. Therapeutic luminal coating of the intestine. Y. Lee 10:30 Intermission.

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TECHNICAL PROGRAM

3:40 COLL 434. Silicon nanostructures for high-throughput intracellular gene delivery. C. Zhao, Q. Yang, S. Hou, X. Xu, N. Wattanatorn, W. Liu, H. Tseng, S.J. Jonas, P.S. Weiss 4:00 COLL 435. Coacervation-based model systems for intracellular compartmentalization. A. Marianelli, B. Miller, M. Sherman, C.D. Keating 4:20 COLL 436. Gold nanoparticles as radiosensitizers demonstrated in a chick chorioallantonic membrane model. C.S. Filgueira, F. Ferraro, V. Vighetto, N. DiMarzio, R. Pathak, H. Liu, A. Pandey, M. Villanueva, C. Chua, S. Mitra, A. Sikora, N.J. Halas, A. Grattoni 4:40 COLL 437. Non-cationic RNA-polymer complexes for RNA interference. Z. Jiang, W. Cui, J. Mager, S. Thayumanavan 5:00 COLL 438. Scalable fabrication of one- and twodimensional gold nanostructures for plasmonic biosensing applications. C. Zhao, X. Xu, A.R. Ferhan, N. Chiang, J.A. Jackman, Q. Yang, W. Liu, A.M. Andrews, N. Cho, P.S. Weiss 5:20 COLL 439. Nano-scale interfacial reversible protein folding of amyloidogenic peptides. K. Yokoyama

TECHNICAL PROGRAM

COLL 10:50 COLL 486. Hyaluronan density influences adhesion, morphology and migration of cancer cells. A.M. Carvalho, D. Soares da Costa, R. Reis, I. Pashkuleva 11:10 COLL 487. Photodegradable polyacrylamide gels for dynamic modulus control of cell culture platforms. S.C. Norris, J. Soto, S. Li, A.M. Kasko 11:30 COLL 488. Elastomeric particles for cell and biomarker isolation in acoustofluidic devices. W. Shields, K.A. Ohiri, L.M. Johnson, A.L. Li, G.P. Lopez 11:50 COLL 489. Discoid silica nanoparticles for stem cells tracking by ultrasound imaging. F. Chen, M. Ma, J. Wang, S. Chen, E. Zhao, A. Jhunjhunwala, S. Darmadi, H. Chen, J.V. Jokerst 12:10 COLL 490. Phage colloids: Bacteriophages link enzymes to magnetic colloids for catalysis and micropumps. M. Alarcón-Correa, J. Günther, S. Knoppe, J. Troll, V.M. Kadiri, D. Rothenstein, J. Bill, P. Fischer

SECTION B Boston Convention & Exhibition Center Room 153A

Toward Atomic Precision in Controlling the Low Dimensional Materials G. Chen, R. Jin, G. Wang, Organizers, Presiding 8:30 Introductory Remarks. 8:35 COLL 491. Single-atom tailoring of metal nanoparticles. R. Jin 9:15 COLL 492. Organic reaction catalysed by atomically precise metal nanoclusters. M. Zhu 9:55 Intermission. 10:25 COLL 493. Tailoring the structure of 58-electron gold nanoclusters: Au103S2(SNap)41 and its implications. T. Higaki, R. Jin 10:45 COLL 494. Molecular “surgery” and beyond: Understanding heterometal doping in atomically precise nanoclusters. M.G. Taylor, Q. Li, R. Jin, G. Mpourmpakis 11:05 COLL 495. Structural and electronic characterization of CoO nanoislands on Au(111) using LT-STM. A. SanchezGrande, J. Rodriguez-Fernandez, E. Carrasco, K. Lauwaet, J. Fester, R. Miranda, J. Lauritsen, D. Ecija

SECTION C Boston Convention & Exhibition Center Room 156C

Frontiers & Challenges in Nanoparticle-Mediated Chemical Transformations Ligand & Support Effects on Nanocatalysis H. Fan, J. He, Organizers Y. Sun, Organizer, Presiding 8:30 COLL 496. Enhancing nanoparticle catalysis for chemical transformations. S. Sun 9:00 COLL 497. Metal and metal oxide nanoparticles encapsulated inside of zeolite crystals as highly efficient heterogeneous catalysts for chemical transformation. F. Xiao 9:30 COLL 498. Controlled encapsulation of nanoparticle catalysts into nanoporous materials. C. Tsung 10:00 Intermission. 10:15 COLL 499. Layer-by-layer assembly of colloidal nanosheets with individually differing properties to generate improved water oxidation catalysts. M. Zdilla, R. Ding, I. McKendry, R. Remsing, H. Peng, J.P. Perdew, D.R. Strongin, Q. Kang, A. Thenuwara, E. Borguet, Y. Aulin 10:45 COLL 500. Transformation pathways of bimetallic nanoparticles at atomic scale. Y. Wang 11:15 COLL 501. Multimetallic nanocrystals and their surface and interface electrocatalysis. S. Guo 11:45 COLL 502. Fabrication and application of inorganic nanoparticle superstructures. Z. Tang

SECTION D Boston Convention & Exhibition Center Room 157A

Basic Research in Colloids, Surfactants & Nanomaterials Nanomaterials-Synthesis, Growth & Assembly R. Nagarajan, Organizer J. Reiner, Presiding 8:30 COLL 503. Solutions for catalysis: A surfactantfree synthesis of precious metal nanoparticle colloids in mono-alcohols for catalysts with enhanced performances. J. Quinson, S. Neumann, J. Bucher, M. Inaba, S. Simonsen, L. Theil Kuhn, M. Oezaslan, S. Kunz, M. Arenz 8:50 COLL 504. Cation exchange as a route to quantum dot synthesis: Are the daughter quantum dots inherently defective? C. Lin, S.E. Benjamin, H.D. Hall, M.L. Ary, X.A. Aguilar, J.W. Campbell, P.G. Van Patten

138

9:10 COLL 505. Photoinitiated growth of silver nanoparticles in solutions of organic acids. D.P. Pullman, N. Yamamoto, R. Leslie, M. Keogh 9:30 COLL 506. Controlled packing and phase transitions via templated evaporative colloidal assembly. C. Shillingford, V. Grebe, A. McMullen, M. Weck 9:50 COLL 507. Nanopore observations of pH dependent fluctuations in mercaptobenzoic-capped gold nanoclusters. B. Cox, P. Woodworth, M. Bertino, J. Reiner 10:10 COLL 508. Crystal face identification by Raman spectroscopy and application to the epitaxial growth of acetaminophen. T.K. Wijethunga, J. Stojaković, M. Bellucci, X. Chen, A.S. Myerson, B. Trout 10:30 COLL 509. Kinetics of self-assembly: Experimental probes of noble metal nanoparticle formation. M. Watzky, H. Sandoe, A. Ethridge 10:50 COLL 510. Engineering the assembly of semiconducting two-dimensional materials prepared by molecular tweezer chemical exfoliation technique. M.A. Mahmoud, M. Abdul-moqueet 11:10 COLL 511. Mechanically robust thin films coatings from functionalized silica nanoparticles. M. Barak, F.C. Cebeci, E.B. Sevinis Ozbulut 11:30 COLL 512. Multi-pronged biomimetic approach to create optically tunable nanoparticles. K.M. Harmatys, J. Chen, D.M. Charron, C.M. MacLaughlin, G. Zheng 11:50 COLL 513. InP-based alloy quantum dots and their compositional effects on thermal/chemical stability. R.P. Brown, Z. Rosenzweig

SECTION E Boston Convention & Exhibition Center Room 157B

Nanomaterials J. A. Hollingsworth, R. Nagarajan, Organizers A. Joshi, Presiding 8:30 COLL 514. Colloidal nanoparticles directly observed by multi-dimensional liquid phase TEM. B. Kim, J. Heo, S. Kim, J. Kim, D. Lee, J. Park 9:00 COLL 515. High-resolution single molecule force spectroscopy using carbon nanotubes in an optical tweezer. D.J. Jackson, M. Kamenetska 9:30 COLL 516. Architecting corrosion-resistant alloys through nanoscale morphology. A. Smith, Y. Balogun, X. Ye 9:50 COLL 517. Informing nanocrystal synthesis via correlated atomic structure and single nanocrystal photophysics. J.R. McBride, K. Reid, S.J. Rosenthal 10:10 COLL 518. Single-crystal electrochemistry reveals why nanowires grow. B.J. Wiley 10:30 COLL 519. In-situ measuring the electronic structure of nanocrystal thin films using energy-resolved electrochemical impedance spectroscopy. S. Volk, N. Yazdani, O. Yarema, M. Yarema, V. Wood 10:50 COLL 520. Submolecular resolution spectroscopic imaging for photoactive molecules and assemblies. S. Wang, N. Chiang, N. Wattanatorn, P.S. Weiss 11:10 COLL 521. Field effect transparency of 2D materials: A multiscale analysis. T. Tian, P. Rice, E.J. Santos, C. Shih 11:30 COLL 522. Contact resistance of carbon nanotubes in vertically aligned carbon nanotube forest. M. Li, N. Yang, V. Wood, H. Park

SECTION F Boston Convention & Exhibition Center Room 157C

Basic Research in Colloids, Surfactants & Nanomaterials Nano-Bio Interactions R. Nagarajan, Organizer K. Hamad-Schifferli, Presiding 8:30 COLL 523. Semiconductor nanoplatelets: A new class of ultrabright and biocompatible probes for biological applications. D. Kechkeche 8:50 COLL 524. Fluorescent nanoparticle sensor for hormones based on a native microbial transcription factor. C. Grazon, T. Nguyen, R.C. Baer, U. Kuzmanovic, M. Chern, M. Chen, M. Zamani, A. Fan, X. Zhang, S. Lecommandoux, C. Klapperich, A.M. Dennis, M.W. Grinstaff, J. Galagan 9:10 COLL 525. Integrated multifunctional nanoplatform based on superparamagnetism and near-infrared to near-infrared photoluminescence for deep-tissue dual-mode imaging. F. Yang, A. Skripka, A. Benayas, X. Dong, S. Hong, F. Ren, J. Oh, X. Liu, F. Vetrone, D. Ma 9:30 COLL 526. Antifouling zwitterionic quantum dot surface chemistry: Impact on intracellular diffusion. N. Lequeux, T. Pons, M. Dahan, E. Balloul, M. Debayle

9:50 COLL 527. Probing bio-nano interactions with colloidal poly(ethylene glycol) particles. J. Cui 10:10 COLL 528. Life and death in a bacterial biofilm under antibiotic attack characterized by fluorescence and atomic force microscopy. C.B. Volle, H. Greer, K. Overton, M. Nunez, M.A. Ferguson, E.M. Spain 10:30 COLL 529. Developing gold nanoparticles for inhibiting cancer metastasis. Y. Wu, M.R. Ali, M.A. El-Sayed 10:50 COLL 530. Biofragment responsive diffraction grid sensor: Using specific binding molecule conjugated hydrogel. W.S. Jinn, B. Kang, M. Shin, S. Oh, B. Mun, S. Haam 11:10 COLL 531. Investigation of nanoscale interfacial interaction of amyloid beta peptide. K. Yokoyama 11:30 COLL 532. Temperature-controlled adhesion of bacteria and lectins to carbohydrate presenting microgel films. T.J. Paul, C. Spormann, P. Watermann, S. Rübel, T.K. Lindhorst, S. Schmidt 11:50 COLL 533. Ethylenediamine-based betaine structure switches the neutral net charge of polyzwitterion into cationic at tumorous pH toward effective tumor accumulation of the coated nanomaterials. H. Takemoto, A. Ranneh, T. Nomoto, M. Matsui, K. Tomoda, N. Nishiyama

SECTION G Boston Convention & Exhibition Center Room 252B

Nanomedicines: From Fundamentals to Applications Immunotherapy & Transport Z. Gu, G. Han, Z. Wang, Organizers J. Xie, J. Zheng, Organizers, Presiding 8:30 COLL 534. Peptide nucleic acid-lipid nanodiscs for delivery of STING agonists in the tumor microenvironment. D.J. Irvine 9:00 COLL 535. Nanomedicine approaches to improve cancer immunotherapy. A.Z. Wang 9:30 COLL 536. Immunomodulation in vivo through direct cytosolic delivery of siRNA to macrophages. J. Hardie, Y. Jiang, Y. Liu, M. Ray, X. Luo, R. Das, R. Landis, M.E. Farkas, V.M. Rotello 9:50 COLL 537. Immunostimulatory dual-functional nanocarriers that improve cancer immunochemotherapy. S. Li 10:20 COLL 538. Polymers and polymer assemblies with inherent pharmacologic activity to target chemokine networks in the treatment of metastatic cancer. D. Oupicky 10:50 COLL 539. Protein engineering to modulate the immunostasis mediated by the PD-1 immune checkpoint. M. Chen, P. Zhao, S. Dong, P. Wang 11:10 COLL 540. Bio-responsive materials for improving iron chelation therapy. M. Xiong 11:40 COLL 541. Surface modified nanoparticles for photoimmunotherapy and X-ray induced photodynamic therapy. J. Xie, Z. Zhen, S. Zhou, H. Chen, W. Zhang 12:10 COLL 542. Dose dependencies and biocompatibility of renal clearable gold nanoparticles: From mice to nonhuman primates. J. Xu, M. Yu, C. Peng, J. Zheng

SECTION H Boston Convention & Exhibition Center Room 160A

Synthetic Self-Assembled Systems for Drug & Nucleic Acid Delivery: New Materials, Formulation Strategies, Targeting, Toxicity & Regulatory Issues K. Sakurai, Organizer M. A. Ilies, Organizer, Presiding 8:30 COLL 543. Design of lipid-protein conjugate with a self-assembling ability on a cell membrane by using microbial transglutaminase reaction. M. Takahara, R. Wakabayashi, K. Minamihata, M. Goto, N. Kamiya 9:00 COLL 544. Synthetic phospholipids: A versatile molecular platform to design cationic amphiphiles used for nucleic acid delivery. P. Jaffres, M. Berchel, A. Bouraoui, O. Lozach, T.L. Gall, T. Montier 9:30 COLL 545. Chain length and headgroup dependence of phase separation in mixed vesicles of DiA and phosphatidyl choline. S. Bandegi, M.A. Ilies, S.L. Wunder 10:00 Intermission. 10:15 COLL 546. Advances in peptide delivery: Hydrophobic ion pairing in SEDDS for solubilization, protection, and enhanced delivery of oral peptides. V. Jannin, A. Bernkop-Schnürch 10:45 COLL 547. Highly stable, ultrasmall liposomes with stimuli-responsive drug-release capability for cancer therapy. B. Hong, A. Iscen, G.C. Schatz, S.T. Nguyen 11:15 COLL 548. Use of atomistic molecular dynamics simulations for in silico self-assembly of nanoparticles: Opportunities and limitations. B.I. Iorga, E. Selwa

Boston Convention & Exhibition Center Room 160B

Basic Research in Colloids, Surfactants & Nanomaterials Surfaces & Interfaces R. Nagarajan, Organizer J. Frechette, Presiding 8:30 COLL 549. Molecular dynamics simulations of hydrophobins near gas, oil and water interfaces. A. Vodopivec, Y. Chen, P.S. Russo, F.R. Hung 8:50 COLL 550. High-throughput wettability screening of formulations and surfaces. T. Kuo, A.A. Lucio, H. Wiles, B. Orvosh, D. Hayes 9:10 COLL 551. Competitive adsorption between nanoparticles and surfactants at the oil-water interface. J. Frechette 9:30 COLL 552. Elasticity and failure of liquid marbles: Influence of particle coating and marble volume. A. Rendos, N. Alsharif, B.L. Kim, K. Brown 9:50 COLL 553. Isobaric vapor–liquid phase diagrams of multicomponent systems with nanoscale interfacial curvature. N. Shardt, J.A. Elliott 10:10 COLL 554. Photoresponsive systems based on molecular motors. J. Cheng, B. Feringa 10:30 COLL 555. Spirals from drops. S. McBride, R. Skye, S. Khan, S. Dash, K. Varanasi 10:50 COLL 556. Molecular dynamic simulation of molecules diffusion on tracks and nanoparticles. Y. Han, P. Kral 11:10 COLL 557. Surface tension measurements of model and nascent sea spray aerosol particles using atomic force microscopy. H. Lee, K.K. Ray, V.H. Grassian, A.V. Tivanski 11:30 COLL 558. Experimental framework for understanding intermolecular interactions in carbon dioxidewater mixtures for EOR and storage. R. Sharma, Q.K. Elias, T.S. Ramakrishnan 11:50 COLL 559. Exploring new avenues of particle charging in apolar media. B. Ponto, J.C. Berg

Technical Developments & Applications of Optical Chemical Imaging Sponsored by ANYL, Cosponsored by BIOL‡, COLL and PHYS‡

Structure & Function of 2D Materials Sponsored by ANYL, Cosponsored by COLL and PHYS

Surface, Interface & Coating Materials Emerging Surface & Coating Materials Sponsored by PMSE, Cosponsored by COLL and POLY

TUESDAY AFTERNOON SECTION A Boston Convention & Exhibition Center Room 152

Langmuir Lectures, NanoLetters Award Lecture, ACS Materials & Interfaces Award Lecture Cosponsored by PROF R. Nagarajan, Organizer E. Borguet, Presiding 2:00 Introduction of Langmuir Lecturer. 2:05 COLL 560. Directing colloid motion in nematic liquid crystals near wavy boundaries. K.J. Stebe 2:50 Introduction of Langmuir Lecturer. 2:55 COLL 561. Field-driven assembly, manipulation, and propulsion of dynamic structures made of particles. O.D. Velev 3:40 Introduction of NanoLetters Lecturer. 3:45 COLL 562. Nanostructured functional hydrogels as an emerging platform for renewable energy and environmental technologies. G. Yu 4:30 Introduction of AMI Lecturer. 4:35 COLL 563. Probing and understanding interfaces and interphases in electrochemical energy storage systems. S. Meng

Structure & Function of 2D Materials Sponsored by ANYL, Cosponsored by COLL and PHYS

Surface, Interface & Coating Materials Smart & Responsive Coatings Sponsored by PMSE, Cosponsored by COLL and POLY

WEDNESDAY MORNING SECTION A Boston Convention & Exhibition Center Room 152

Biomaterials & Biointerfaces V. Gordon, Organizer A. P. Goodwin, Organizer, Presiding 8:30 COLL 564. On demand release of bacteria from microwell arrays. A. van der Vlies, N. Barua, P. Guzman, T.G. Platt, R.R. HAnsen 8:50 COLL 565. Degradation of protein coronas when exposed to the proteolytic environment of the pancreatic ductal adenocarcinoma cell line PANC1. C. RodriguezQuijada, H. de Puig, M. Sánchez-Purrà, C. Yelleswarapu, J. Celli, K. Hamad-Schifferli 9:10 COLL 566. Biological identity and receptors recognition of graphene nanoflakes dispersions. V. Castagnola, L. Boselli, M. Lo Giudice, F. Alnasser, K. Dawson 9:30 COLL 567. Supported lipid bilayer microfluidics for gene delivery. J.N. Belling, J.A. Jackman, L.K. Heidenreich, L.M. Kawakami, T.D. Young, L. Scarabelli, C. Zhao, N. Cho, S.J. Jonas, P.S. Weiss 9:50 COLL 568. Layer-by-layer nanoparticles for cytokine delivery against cancer. A. Barberio, S. Correa, E.C. Dreaden, T. Tokatlian, M. Melo, D.J. Irvine, P.T. Hammond 10:10 Intermission. 10:30 COLL 569. Tuning non-covalent interactions for multiple cargo encapsulation inside P22 VLPs. H. Waghwani, C. Fu, J. Johnson, T. Douglas, M. Uchida 10:50 COLL 570. OBP fused with cell-penetrating and anchor peptides promotes liposomal transduction of 1-aminoanthracene. F. Gonçalves, T.G. Castro, E. Nogueira, R. Pires, R. Reis, C. Silva, A. Ribeiro, A. Cavaco-Paulo 11:10 COLL 571. Enhancement of Cas9 RNP delivery using a small molecule caged surfactant. J. Roeise, J. Li, A. Taing, L. Chan, K. Thakker, N. Murthy 11:30 COLL 572. Sugar-grafted cyclodextrin as drug carrier for intravesical therapy for bladder cancer. M. Li, E. Kang, E. Chiong, K. Neoh

SECTION B Boston Convention & Exhibition Center Room 153A

Toward Atomic Precision in Controlling the Low Dimensional Materials G. Chen, R. Jin, G. Wang, Organizers, Presiding 8:30 Introductory Remarks. 8:35 COLL 573. Photochemical synthesis and photocatalysis with atomically precise metal clusters. K. Stamplecoskie 9:15 COLL 574. Catalytic hydrogenation of nitriles over atomically precise nickel clusters with a double-crown anatomy. Y. Zhu 9:55 COLL 575. Defect-associated adsorption of monoethanolamine on TiO2(110) surface: From single molecules to a monolayer. S. Sohn, S. Kim, S. Kwak, H. Shin 10:15 Intermission. 10:45 COLL 576. Aggregation/self-assembled approach for efficient AuAg bimetallic nanocluster-based photosensitizers. H. Kawasaki, D. Hikosou, S. Saita 11:25 COLL 577. Addressing the isomer cataloging problem for nanopores in two-dimensional lattices. A. Govind Rajan, K. Silmore, J. Swett, D. Blankschtein, M. Strano 11:45 COLL 578. Towards the understanding and engineering of the asymmetric electric field screening in van der Waals heterostructures. L. Li, T. Tian, Q. Cai, C. Shih, E.J. Santos

SECTION C Boston Convention & Exhibition Center Room 156C

Frontiers & Challenges in Nanoparticle-Mediated Chemical Transformations Photo- & Electro-Nanocatalysis H. Fan, J. He, Y. Sun, Organizers J. Zhao, Presiding 8:30 COLL 579. Self-assembly of anisotropic nanocrystals and their transformations under high pressure. O. Chen 9:00 COLL 580. Silicon nanowries as an effective photoelectrode for solar-driven CO2 reduction applications. D. Wang, W. Li, D. He, G. Li 9:30 COLL 581. Promoting effect of Ni(OH)2 on Pt/Pd for electrocatalytic alcohol oxidation reaction. Y. Li 10:00 Intermission.

10:15 COLL 582. Synthesis of hollow multimetallic nanoparticles as photo and electrochemical catalysts. J. Zhao, S. Chen, S. Thota, Y. Wang 10:45 COLL 583. Increasing the productivity of electrosynthesis with flow-through nanowire electrodes. B.J. Wiley 11:15 COLL 584. Multi-shelled metal oxides hollow materials: Synthetic chemistry and applications. D. Wang 11:45 COLL 585. Cu-based hybrid nanocrystals for electrochemical CO2 conversion. R. Buonsanti

SECTION D Boston Convention & Exhibition Center Room 157A

Basic Research in Colloids, Surfactants & Nanomaterials Surfactant Systems R. Nagarajan, Organizer Z. Niroobakhsh, Presiding 8:30 COLL 586. Spherical micelle transition behaviors at different composition of calix[4]arene by the electrostatic interaction. J. Lee, S. Fujii, R. Takahashi, K. Sakurai 8:50 COLL 587. Effect of tail terminal trimethyl silyl groups on interfacial properties and aggregation behavior of surfactants. M. Sagisaka, K. Fujita, T. Endo, T. Narumi, A. Yoshizawa, A. Czajka, J. Eastoe 9:10 COLL 588. Phase behavior of a stabilized surfactant/ fatty acid self-assembly material. Z. Niroobakhsh, R. Hickey, A. Belmonte 9:30 COLL 589. Switchable photoacoustic effect due to micellization of sodium dodecyl sulfate with methylene blue. J. Wang, C. Lin, J.V. Jokerst 9:50 COLL 590. Magnetic surfactants as a versatile tool for functional materials design. A. Pasc 10:10 COLL 591. Monodispersity of the micelles composed of polyethylene glycol (PEG)-attached surfactants: Platonic micelles in conventional micelle system. H. Matsumoto, S. Fujii, R. Takahashi, K. Sakurai 10:30 COLL 592. Structural and rheological properties of micelles in a shear flow. B. O Conchuir, R.L. Anderson, M.A. Johnston 10:50 COLL 593. Formation of ultra-uniform micelles via morphological evolution during a chemical reaction. W.R. Lindemann, J. Tian, J. Ortony 11:10 COLL 594. Branched pseudo-oligomeric cationic surfactant in organic media. M.A. Walters, B. Jin, L. VogtMaranto, A. Velasquez 11:30 COLL 595. Platonic micelles part 1: Monodisperse micelles in the system of reverse micelles. S. Fujii, R. Miyake, J. Lee, R. Takahashi, K. Sakurai 11:50 COLL 596. Platonic micelles part 2: Kinetic consideration of the micelles with the discrete aggregation numbers and mono-dispersity. K. Sakurai, R. Takahashi, J. Lee, S. Fujii

SECTION E Boston Convention & Exhibition Center Room 157B

Nanomaterials J. A. Hollingsworth, R. Nagarajan, Organizers A. Singh, Presiding 8:30 COLL 597. Protein-like polymers as peptide, small molecule and protein delivery agents to cells and tissues. N.C. Gianneschi 9:00 COLL 598. Bioelectronics communication: Encoding regulatory responses using nanostructured semiconductor thin films. A. Ivanisevic 9:30 COLL 599. Interfacial chemistry of biomimetic asymmetric nanochannels. L. Wen 10:10 COLL 600. Concentric Nd(III)-sensitized core-shell upconversion nanoparticles for excitation with a biobenign wavelength. C. Arboleda, S. He, A. Stubelius, N. Johnson, A. Almutairi 10:30 COLL 601. Target-specific glucose-conjugated gold nanoclusters as fluorescent probes for quantitative analysis of glucose metabolic cleavage in glucose transporters overexpressed cancer cells. T. Kuo, X. Pan, T. Chang, K. Chen, J. Kuo, S. Tan 10:50 COLL 602. Eradication of multidrug-resistant bacteria by DNA-encapsulated two-dimensional transition metal dichalcogenides. A. Debnath, S. Saha, A. Yousaf, A. Green 11:10 COLL 603. Excellent activity of biocompatible transition metal dichalcogenide nanosheets for scavenging reactive oxygen species. D. Yim, J. Kim, H. Kim, J. Yang, T. Kang, S. Yoo, J. Kim

139

TECHNICAL PROGRAM

SECTION I

TECHNICAL PROGRAM

COLL 11:30 COLL 604. Identification of dynamic domains for ligand on monolayer-grafted nanoparticles and their implications for bio-interactions. D. Hristov, H. Lopez, Y. Ortin, K. O’Sullivan, K. Hamad-Schifferli, K.A. Dawson, D. Brougham 11:50 COLL 605. Targeting bacteria with nanoantibiotics. M. Yan

SECTION F Boston Convention & Exhibition Center Room 157C

Basic Research in Colloids, Surfactants & Nanomaterials Nano-Bio Interactions R. Nagarajan, Organizer K. Burns, K. Hamad-Schifferli, Presiding 8:30 COLL 606. Atomistic modeling of nanoparticles nanomedicines: From protein corona to bio-activity. P. Kral 9:00 COLL 607. Biocompatible nanoprobes based on functionalized single-walled carbon nanotubes for the targeted imaging of prostate cancer cells. F. CortezonTamarit, V. Mirabello, H. Ge, S. Pascu 9:20 COLL 608. Polymer corona phase on single walled carbon nanotubes as an artificial molecular recognition site for real-time small therapeutic detection. J. Dong, M. Strano 9:40 COLL 609. Effects of surface atom coordination on protein-nanoparticle interactions. Z. Xia, E. Villarreal, H. Wang, B. Lau 10:00 COLL 610. Polymeric surface chemistry for quantum dot-based pH imaging. M. Debayle, N. Lequeux, T. Pons 10:20 COLL 611. Cellular delivery of doxorubicin mediated by disulfide reduction of a peptide-dendrimer bioconjugate. K. Burns, J. Delehanty 10:40 COLL 612. Flexible ultrathin graphene microstructures for 3D biosensing. W. Xu, J. Pagaduan, Q. Huang, D.H. Gracias 11:00 COLL 613. Ligand mediated exchange of oxidation state dependent ROS scavenging activity of cerium oxide nanoparticles. V. Patel, A. Karakoti 11:20 COLL 614. New method for quantifying low-energy electron emission from clinically relevant nanoparticles. L. Cramer, B.P. Coughlin, S. Kunjachan, O. Tillement, R. Berbeco, E.H. Sykes 11:40 COLL 615. Targeted perfluorocarbon nanoparticles for disclosing critical information of lung cancer. L. Wu, X. Xu, J. Ping, Y. Li, K. Wang, B. Shen

SECTION G Boston Convention & Exhibition Center Room 252B

Nanomedicines: From Fundamentals to Applications New Formulations Z. Gu, Z. Wang, J. Xie, Organizers G. Han, J. Zheng, Organizers, Presiding 8:30 COLL 616. Development of a dexamethasone prodrug (ZSJ-0228) micelle formulation for effective and safe treatment of lupus nephritis. Z. Jia, X. Wang, X. Wei, G. Zhao, K.W. Foster, F. Qiu, Y. Gao, F. Yuan, F. Yu, G.M. Thiele, T.K. Bronich, J.R. O’Dell, D. Wang 9:00 COLL 617. Polymeric nanomedicine: Nanoproperty synchronization. Y. Shen, Z. Zhou 9:30 COLL 618. Biomimetic polymer-based self-assembled nanomedicine. S. Lecommandoux 9:50 COLL 619. Elevated levels of hydrogen peroxide in mesenchymal-like cancer cells can selectively trigger the dissolution of silver nanoparticles. R. Singh 10:20 COLL 620. Bio-inspired nanoparticle-based transcription factor to control stem cell fate and function. K. Lee 10:50 COLL 621. Formulation of dual component solid drug nanoparticles for improved oral bioavailability of Darunavir and Ritonavir. A.C. Savage, S.J. Ashcroft, H. Box, J. Sharp, M. Neary, A. Owen, S. Rannard 11:10 COLL 622. Structural DNA nanotechnology: Complex self-assembly and biomedical applications. Y. Ke 11:40 COLL 623. Dynamic topographical structure: A new parameter for designing nanomedicine. H. Cheng, H. Zhou, Z. Fan, P.Y. Li 12:10 COLL 624. Structurally modulated codelivery of siRNA and Argonaute 2 for enhanced RNA interference. J. Li, C. Wu, W. Wang, Y. He, P.T. Hammond

SECTION H Boston Convention & Exhibition Center Room 160A

140

Synthetic Self-Assembled Systems for Drug & Nucleic Acid Delivery: New Materials, Formulation Strategies, Targeting, Toxicity & Regulatory Issues M. A. Ilies, Organizer K. Sakurai, Organizer, Presiding 8:30 COLL 625. Physicochemical properties of selfassembled cyclodextrin nanoparticles and their application in drug delivery. T. Loftsson 9:00 COLL 626. Combination loading of doxorubicin and resveratrol in polycaprolactone polymeric micelles. M.C. Stefan, K. Washington, R. Kularatne, P. Soltantabar, E.J. Calubaquib, M.C. Biewer 9:30 COLL 627. Self-assembled block copolymer micelles with tuned hydrolytic stability as efficient docetaxel delivery systems for breast cancer therapy. U. Satyal, V.D. Sharma, H. Hensley, M.A. Ilies 10:00 Intermission. 10:15 COLL 628. How to increase micelle loading by manipulating the preparation approach for frozen block copolymer micelles? A theoretical view. R. Nagarajan 10:45 COLL 629. Stabilizing colloidal drug aggregates for drug-rich nanoparticle formulations. A. Ganesh, J. Logie, C. McLaughlin, B. Shoichet, M.S. Shoichet 11:15 COLL 630. Rapid recovery of clofazimine nanoparticles with long-term storage stability as anticryptosporidium therapy. J. Feng, Y. Zhang, S. McManus, K. Ristroph, H. Lu, K. Gong, C. White, R.K. Prudhomme

SECTION I Boston Convention & Exhibition Center Room 160B

Surface Chemistry Nanoparticle Surfaces & Atomic Layer Deposition S. L. Tait, Organizer Y. Chen, Presiding 8:30 COLL 631. NMR analysis of ligand environments on gold nanoparticles: The effect of surface curvature and ligand binding modes. M. Wu, C.J. Murphy 8:50 COLL 632. Dynamics and morphology of polymermodified nanoparticle elucidated by NMR spectroscopy. Y. Zhang, C.G. Fry, J.A. Pedersen, R.J. Hamers 9:10 COLL 633. Optical evaluation of gold nanostars on polymer mats for uranyl detection. H.T. Phan, A.J. Haes 9:30 COLL 634. Light-enabled reversible self-assembly and tunable optical properties of stable hairy nanoparticles. Y. Chen, Z. Lin 9:50 COLL 635. Synthesis of bifunctional NHC-CO2 adducts for SERS-based sensing on gold. J.F. DeJesus, M.J. Trujillo, J.P. Camden, D.M. Jenkins 10:10 Intermission. 10:30 COLL 636. Epitaxial, ultra-thin Au coating as a barrier for oxidation damages for silver nanowires. Y. Zhu 10:50 COLL 637. Colloidal particle assisted fabrication of self-cleaning ordered ZnO nanostructures for enhanced room temperature gas sensing by light trapping mechanism. P. Chakrabarty, M. Banik, S. Santra, N. Gogurla, S. Ray, R. Mukherjee 11:10 COLL 638. Small size Si precursor inhibitors for area-selective atomic layer deposition. B. Ko, M. Khan, J. Lee, B. Shong, W. Kim, H. Lee 11:30 COLL 639. Nanoscale structuring of surfaces by using atomic layer deposition: Controlled synthesis of nanocavities. C. Hess, P. Ruff 11:50 COLL 640. TiN etching in the semiconductor industry: Effects of material deposition and etch compositions. J. Hoogboom, A. Klipp, L. Amundson

Functional Materials from Biopolymer Self-Assembly & Self-Organization Sponsored by CELL, Cosponsored by CARB, COLL, ENVR and POLY

Molecular Interactions of Synthetic Nanoparticles with Membranes Sponsored by ANYL, Cosponsored by COLL and PHYS

Surface, Interface & Coating Materials Functional Surface & Coatings Sponsored by PMSE, Cosponsored by COLL and POLY

WEDNESDAY AFTERNOON SECTION A Boston Convention & Exhibition Center Room 152

Biomaterials & Biointerfaces V. Gordon, Organizer A. P. Goodwin, Organizer, Presiding 2:00 COLL 641. Probing antimicrobial peptide/lipid A membrane interactions using single-molecule dynamics. N. Nelson, D.K. Schwartz 2:20 COLL 642. Analysis of fluorescence recovery after photobleaching for freestanding lipid membrane over SiO2 microwells. A. Oshima, H. Nakashima, K. Sumitomo 2:40 COLL 643. Towards realistic large area cell membrane mimics: Excluding oil, controlling composition and including ion channels. P.J. Beltramo, L. Scheidegger, J. Vermant 3:00 COLL 644. Investigating the interactions of menaquinones with common phospholipids using Langmuir monolayers. B.J. Peters, C. Van Cleave, A. Haase, J.T. Koehn, K. Werst, D. Crick, D.C. Crans 3:20 COLL 645. Controlling receptor recycling using engineered ligands. A. Trementozzi, A.C. DeGroot, C. Zhao, J. Stachowiak 3:40 Intermission. 4:00 COLL 646. Neutron reflectometry reveals structural aspects of blood protein and antibody adsorption to polymer brushes. V.M. Latza, I. Rodriguez Loureiro, I. Kiesel, A. Halperin, G. Fragneto, E. Schneck 4:20 COLL 647. Label-free direct visualization of multivalent binding of cartilage oligomeric matrix protein and bone morphogenetic protein-2. V. Tran, A. Karsai, M. Fong, Q. Yang, J. Yik, D. Haudenschild, G. Liu 4:40 COLL 648. Single molecule level studies of enzymeligand interactions using molecular recognition atomic force spectroscopy. T.I. Lansakara, H. Morris, P. Singh, A. Kohen, A.V. Tivanski 5:00 COLL 649. Surface-enhanced Raman spectroscopy of fluid supported lipid bilayers on silica-coated silver film over nanosphere structures. I. Bruzas, L. Sagle 5:20 Concluding Remarks.

SECTION B Boston Convention & Exhibition Center Room 153A

Toward Atomic Precision in Controlling the Low Dimensional Materials G. Chen, R. Jin, G. Wang, Organizers, Presiding 2:00 Introductory Remarks. 2:05 COLL 650. Near infrared electrochemiluminescence of Au nanoclusters: Solution sensing and surface assays. G. Wang, T. Wang, H. Ma, S. Chen 2:45 COLL 651. Luminescent group IB alloy metal nanoclusters with atomic precision. H. Yu, M. Zhu 3:25 Intermission. 3:55 COLL 652. Single molecule conductance of ferrocene on gold. M. Kamenetska 4:15 COLL 653. Discovery of biomaterials by simulation and experiment: Molecular recognition, assembly, applications. H. Heinz 4:45 COLL 654. Controlled dopant speciation of dopants in CdS-based nanoclusters. K.R. Kittilstved

SECTION C Boston Convention & Exhibition Center Room 156C

Frontiers & Challenges in Nanoparticle-Mediated Chemical Transformations Characterization of Nanocatalysts H. Fan, J. He, Y. Sun, Organizers O. Chen, Presiding 2:00 COLL 655. Probing phase evolution of metal oxide nanomaterials in batteries. D. Su 2:30 COLL 656. Nano catalyst with enhanced activity and stability. T. Li 3:00 COLL 657. Watching single nanocrystal transformations with fluorescence microscopy. B. Sadtler, B. Yin 3:30 Intermission. 3:45 COLL 658. Partially poisoned Pd nanoparticles for selective hydrogenation and/or isomerization of olefins. M. Mahdaly, K.M. Vargas, Y. Shon 4:15 COLL 659. In-situ visualization of plasmon-induced hydrogenation reactions in individual palladium nanocubes. M. Vadai, D.K. Angell, F. Hayee, K. Sytwu, J.A. Dionne 4:35 COLL 660. Superiorly active and selective Au nanocatalysts supported on nitrided carbon for electrocatalytic CO2 reduction. L. Jin, B. Liu, P. Wang, H. Yao, L. Achola, P. Kerns, A. Lopes, Y. Yang, J. Ho, A. Moewes, Y. Pei, J. He

SECTION D Boston Convention & Exhibition Center Room 157A

Basic Research in Colloids, Surfactants & Nanomaterials Lipids, Peptides & Proteins R. Nagarajan, Organizer T. Wei, Presiding 2:00 COLL 663. Equilibrium and transport distributions of DNA in hydrophilic nanotubes. F. Cruz, J. Mota 2:20 COLL 664. Understanding and characterizing lipid bilayer dynamics by vibrational sum frequency generation spectroscopy. A. Chowdhury, F. Liu, M. Phan, F. Heberle, J. Katsaras, C.P. Collier, Y. Ma, B. Doughty 2:40 COLL 665. Peptide-grafted gold nanoparticles studied with ReaxFF MD simulations. T. Wei 3:00 COLL 666. Bovine serum albumin protein surface properties in the presence of polymers or surfactants. A. Erfani, S. Khosharay, N.H. Flyn, J.D. Ramsey, C. Aichele 3:20 COLL 667. Adsorption orientation of amyloidogenic peptides over nano-gold colloidal particles’ surfaces. K. Yokoyama 3:40 COLL 668. Ionic strength-mediated phase transitions of surface-adsorbed DNA on single-walled carbon nanotubes. D. Salem, X. Gong, A. Liu, V. Koman, J. Dong, M. Strano 4:00 COLL 669. Flavin self-assemblies towards chiral enrichment of single-walled carbon nanotubes. E. Karunaratne, M. Mollahosseini, F. Papadimitrakopoulos 4:20 COLL 670. Effects of β-sitosteryl sulfate on the phase behavior and hydration properties of phospholipids. H. Sakai, K. Ananda, M. Akamatsu, K. Sakai, C. Kaise, T. Kaneko 4:40 COLL 671. Direct measurement of metal ion binding to ionophores in lipid bilayers by affinity chromatography. E.E. Ross 5:00 COLL 672. Entropy-driven self-assembly of protein 2D liquid crystal at solid-liquid interface. S. Zhang, H. Pyles, D. Baker, J.J. DeYoreo 5:20 COLL 673. Mechanistic investigation of methylene blue and heparin interaction in phosphate buffer saline. J. Wang, K. Humphries, B. Miller, J.V. Jokerst

SECTION E Boston Convention & Exhibition Center Room 157B

Nanomaterials J. A. Hollingsworth, R. Nagarajan, Organizers A. Ivanisevic, Presiding 2:00 COLL 674. Dendritic effect and magnetic permeability in dendronized magnetic nanoparticles. J.D. Lee, D. Jishkariani, H. Yun, T. Paik, J.M. Kikkawa, C.R. Kagan, B. Donnio, C.B. Murray 2:20 COLL 675. Ligand-mediated near-infrared photoluminescence of small diameter copper, silver, and gold nanoparticles. S. Crawford, C.M. Andolina, A. Smith, K. Johnston, L. Marbella, P. Straney, J. Millstone 2:40 COLL 676. NHC-capped polymers for surface functionalization of metal nanoparticles in aqueous solution. S. Thanneeru, K. Ayers, M. Anuganti, L. Jin, L. Zhang, G. Ung, J. He 3:00 COLL 677. Surface modification of carbon-based material with terminal alkene ligands using radical coupling reactions. Y. Zhang, R.J. Hamers 3:20 COLL 678. Chiromagnetic nanoparticles and gels. J. Yeom, U. Santos, M. Chekini, M. Cha, A. de Moura, N. Kotov 3:40 COLL 679. Setting carriers free – healing faulty interfaces promotes delocalization and transport in nanocrystal solids. W. Walravens, N. Mahmoud, F. Geenen, E. Solano, J. Dendooven, A. Tadjine, C. Delerue, G. Roelkens, C. Detavernier, Z. Hens 4:00 COLL 680. Wavefunction engineering in CdSe/PbS core/shell heterostructures. B.M. Wieliczka, W.E. Buhro, R.A. Loomis 4:20 COLL 681. Colloidal synthesis and photophysical characterization of SiGeSn alloy quantum dots. E. Eladgham, U. Ozgur, D.O. Demchenko, I.U. Arachchige

4:40 COLL 682. Synthesis of quaternary Cu-ZnIn-S nanocrystals and photovoltaic characteristics. R.D. Rajapaksha, M.I. Ranasinghe 5:00 COLL 683. Kinetically controlled aggregation and growth, a pathway for synthesis simple-branched to hyperbranched NCs. M. Yazdanparast 5:20 COLL 684. Autonomous thermal-oxidative composition inversion (TOCI) and texture tuning in liquid metal particles. J. Cutinho, B.S. Chang, I.D. Tevis, M.M. Thuo

SECTION F Boston Convention & Exhibition Center Room 157C

Basic Research in Colloids, Surfactants & Nanomaterials Nano-Bio Interactions R. Nagarajan, Organizer T. Pons, Presiding 2:00 COLL 685. MnO2 and MoS2 nano-knives exhibit antibacterial properties. F. Alimohammadi, M. Sharifian Gh., N.H. Attanayake, A. Thenuwara, Y. Gogotsi, B. Anasori, D.R. Strongin 2:20 COLL 686. Time-gated fluorescence imaging and sensing using long lifetime near infrared quantum dots. M. Debayle, N. Lequeux, V. Loriette, a. Fragola, T. Pons 2:40 COLL 687. Glycosylated gold nanoparticle biosensors: Detection of toxins, bacteria and viruses. S. Richards, M.I. Gibson 3:00 COLL 688. Gold nanoparticle radiosensitization of synchronized cell populations. B.P. Coughlin, P.T. Lawrence, E.H. Sykes, C. Mace 3:20 COLL 689. Engineered nanozymes to catalyze sitespecific bioorthogonal reactions for imaging and therapeutic applications. R. Das, A. Gupta, G.Y. Tonga, R.F. Landis, T. Mizuhara, V.M. Rotello 3:40 COLL 690. Electric field sensitive upconverting nanoparticles: Toward background free in vivo action potential imaging. R. Mehlenbacher, C. Siefe, A. Lay, J.A. Dionne 4:00 COLL 691. Gold nanoparticle-polyplex electroporation in the enhancement of nucletic acid delivery. S. Huang, X. Liu, S. Wang 4:20 COLL 692. High content analysis (HCA) of nanoparticle uptake by mammalian cells and their effects on motility, proliferation and viability. A. Pallaoro, W.H. Dragowska, B.D. Gates, D.T. Yapp 4:40 COLL 693. UV-visible spectroscopy-based quantification of biomolecules bound to nanoparticles. B.L. Baldock, J.E. Hutchison 5:00 COLL 694. Understanding the interfacial events of stimuli responsive nanomaterials for the treatment of bacterial infection. D. Bagchi, S. Pal 5:20 COLL 695. Biodegradable nanocomposite antimicrobials for the eradication of multidrug-resistant bacterial biofilms without accumulated resistance. C. Li, R. Landis, A. Gupta, Y. Lee, J.M. Makabenta, M. Yazdani, N. Ngernyuang, I. Altinbasak, S. Mansoor, M. Khichi, A. Sanyal, V.M. Rotello

SECTION G Boston Convention & Exhibition Center Room 252B

Nanomedicines: From Fundamentals to Applications Design Considerations Z. Gu, Z. Wang, J. Xie, Organizers G. Han, J. Zheng, Organizers, Presiding 2:00 COLL 696. Development of targeted nanomedicines via machine learning processes. D.A. Heller, Y. Shamay, J. Shah, M. Isik, J. Budhathoki-Uprety, D. Roxbury, R. Sridharan, J.D. Chodera, S.W. Lowe 2:30 COLL 697. Genetically encoded acousto-magnetic protein nanostructures for non-invasive imaging of cellular functions. G.J. Lu, A. Farhadi, J.O. Szablowski, A. LeeGosselin, S.R. Barnes, A. Lakshmanan, R.W. Bourdeau, M.G. Shapiro 3:00 COLL 698. Photothermal intracellular delivery using large-area Au nanodisk arrays fabricated by chemical lift-off lithography. C. Zhao, T. Man, X. Xu, Q. Yang, W. Liu, S.J. Jonas, M.A. Teitell, A.M. Andrews, P. Chiou, P.S. Weiss 3:20 COLL 699. Rapid sequential in situ multiplexing with DNA exchange imaging. P.L. Yin 3:50 COLL 700. Small platform enables big change – Nanotech-assisted discovery of novel biomarkers for disease diagnosis. T. Hu

4:20 COLL 701. Cartilage penetrating nanocarriers enhance drug delivery and efficacy in osteoarthritis. B. Geiger, S. Wang, R.F. Padera, A. Grodzinsky, P.T. Hammond 4:40 COLL 702. Magnetothermal neuormodulation in awake, freely moving animals. R. Munshi, S. Qadri, I. Castellanos-Rubio, A. Pralle 5:10 COLL 703. Tuning the scaffolding biionanofiber’s structure and surface for electrochemically sensing cancer and normal cells. Z.R. Tian, H. Alismail, Y. Du, J. Zhou, J. Koster, P. Cole, L. Mantooth 5:30 COLL 704. Design of quantum dot-protein bioconjugates for extracellular control of intracellular drug release. L.D. Field, S. Walper, K. Susumu, G. LasarteAragones, E. Oh, I. Medintz, J. Delehanty

SECTION H Boston Convention & Exhibition Center Room 160A

Synthetic Self-Assembled Systems for Drug & Nucleic Acid Delivery: New Materials, Formulation Strategies, Targeting, Toxicity & Regulatory Issues K. Sakurai, Organizer M. A. Ilies, Organizer, Presiding 2:00 COLL 705. Functionalized thin shell microcapsule for targeted delivery and release. L. Zhang, J. Didier, H. Wang, D.A. Weitz 2:30 COLL 706. Encapsulation, protection and programmed release of retinol from silicone particles for topical applications. W. Shields, J.P. White, E.G. Osta, J. Patel, S. Rajkumar, S. Zauscher 3:00 COLL 707. Specific targeting of ovarian tumor associated macrophages by large, anionic nanoparticles. J.M. Berlin 3:30 Intermission. 3:45 COLL 708. Ligand design, synthesis and formulation for gold nanoparticle stabilization, targeting, drug loading and controlled release: towards new multi-ligand targeted nanoplatforms for doxorubicin delivery. U.K. Mondal, A. Shabana, M.R. Alam, T. Spoon, C.A. Ross, M. Muniswamy, C.T. Supuran, M.A. Ilies 4:15 COLL 709. Integration of inorganic nanomaterials within biological systems using a coordinating polymer coating. L. Du, W. Wang, Z. Jin, H.M. Mattoussi 4:45 COLL 710. Self-assembled fluorinated quantum dots as a novel delivery platform for enzymes. C. Carrillo Carrion, M. Carril, W. Parak

SECTION I Boston Convention & Exhibition Center Room 160B

Surface Chemistry Self-Assembled Monolayers & Films S. L. Tait, Organizer M. S. Minkara, L. Xiang, Presiding 2:00 COLL 711. Preparation and quantification of various degrees of hydrophobic glass surfaces. S. Pradhan, P.K. Bikkina 2:20 COLL 712. Optical characterization of surface adlayers and their compositional demixing at the nanoscale. L. Xiang, M. Wojcik, S. Kenny, R. Yan, S. Moon, W. Li, K. Xu 2:40 COLL 713. Development of a self-assembled monolayer that is cleavable under mild conditions for surface-grafted conjugated polymers. P.M. Lundin 3:00 COLL 714. Chain-length dependent reactivity of thiolate self-assembled monolayers with atomic gas species. S. Brown, J. Sayler, S. Sibener 3:20 COLL 715. Probing curvature effects of surfactant adsorbing onto liquid/vapor interfaces of water using Monte Carlo simulations. M.S. Minkara, C.L. Venteicher, J.L. Chen, B. Xue, J.I. Siepmann 3:40 Intermission. 4:00 COLL 716. Electrochemistry and viscoelasticity of DNA self-assembled monolayers conjugated with hexammine metal(III) complexes: Effects of H/D isotope exchange. G. Flechsig, S.K. Galagedera 4:20 COLL 717. Antioxidant hydrogen-bonded films of synthetic polyphenol polymers. R. Hlushko, S.A. Sukhishvili 4:40 COLL 718. Influence of molecular weight on assembly and surface properties of polyelectrolyte multilayers. E. Towle, I. Ding, A.M. Peterson 5:00 COLL 719. Electrochemically triggered surface deposition of polyelectrolytes. M. Iqbal, W. Zhan 5:20 COLL 720. Hybrid glasses coatings obtained by electrospray deposition. L. Lei, M. Tenorio, K. Al-Marzoki, J. Guzman, L. Klein, A. Pelegri, J.P. Singer, A. Jitianu

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4:55 COLL 661. Plasmonic photocatalytic silver nanoparticles for hydrogenation and oxidation reactions. A. Gelle, M. Landry, A.H. Moores 5:15 COLL 662. Colloidal synthesis of noble metal nanostructures with unusual crystal phase. Y. Chen, Z. Fan, H. Zhang

TECHNICAL PROGRAM

COLL/COMP Functional Materials from Biopolymer Self-Assembly & Self-Organization Sponsored by CELL, Cosponsored by CARB, COLL, ENVR and POLY

Molecular Interactions of Synthetic Nanoparticles with Membranes Sponsored by ANYL, Cosponsored by COLL and PHYS

Peter Derrick Memorial Symposium: Nanomaterials & Safe Evaluation Spectroscopy Analysis Sponsored by ENFL, Cosponsored by ANYL and COLL

Surface, Interface & Coating Materials Applied Surface & Coating Research Sponsored by PMSE, Cosponsored by COLL and POLY

THURSDAY MORNING SECTION A Boston Convention & Exhibition Center Room 104B

Basic Research in Colloids, Surfactants & Nanomaterials Colloidal Systems R. Nagarajan, Organizer K. Sasan, Presiding 8:30 COLL 721. High yield synthesis of semiconductor helices through self-assembly of CdTe nanoparticles. J. Yan, J. Kim, W. Feng, N. Kotov 8:50 COLL 722. Universal fluorescence enhancement substrate based on multiple heterostructure colloidal photonic crystal with super-wide stopband and highly sensitive Cr(VI) detecting performance. L. Zhang 9:10 COLL 723. Structural synergy of shell conformation in p-n heterostructured water-processable semiconducting colloids for ultra-fast and long-term quenching efficiency. Y. Kim 9:30 COLL 724. Dual self-assembly of chiromagnetic cobaltbased supraparticles with rice-like structure. Z. Mu, N. Kotov 9:50 COLL 725. Adsorption of rhamnolipid biosurfactant and its effect on the aggregation kinetics of iron oxide (Fe3O4) nanoparticles in monovalent and divalent electrolyte solutions. A. Ghosh, N. Sharma, W. Li, J. Fortner 10:10 COLL 726. Developing 3D-printed optical glasses from sol-gel feedstocks. K. Sasan, J.F. Destino, N. Dudukovic, M.A. Johnson, D.T. Nguyen, T.D. Yee, L.L. Wong, A. Lange, T.M. Fears, P. Ehrmann, R. Dylla-Spears 10:30 COLL 727. Study of the phase state and viscoelastic properties of individual substrate deposited model aerosol systems by atomic force microscopy force spectroscopy. K.K. Ray, H. Lee, A.V. Tivanski 10:50 COLL 728. Determination of zeta potential in high ionic strength aqueous colloidal dispersions using next generation electrophoretic light scattering (NG-ELS). J. Miller 11:10 COLL 729. Characterization of fluorocarbon surfactant solutions for understanding fire suppression enhancement with solvent incorporation. S.L. Giles, A. Snow, K.M. Hinnant, R. Ananth 11:30 COLL 730. Spectroscopic investigations of AuxPdy bimetallic nanoparticles supported on TiO2. X. Yu, A. Nefedov, C. Woell, Y. Wang 11:50 COLL 731. Layer-by-layer self-assembly of amphiphilic quaternary ammonium chitosans/sodium alginate as a biocompatible anti-biofouling coating. J. Jung, Y. Sun 12:10 COLL 732. Synthesis and characterisation of silicon germanium oxide (Si0.5Ge0.5O2) nanoparticles via liquid mix and sol-gel techniques. G.B. Teh, T. Lim, S. Ganesan, R.D. Tilley

SECTION B Boston Convention & Exhibition Center Room 258A

Toward Atomic Precision in Controlling the Low Dimensional Materials G. Chen, R. Jin, G. Wang, Organizers, Presiding 8:30 Introductory Remarks. 8:35 COLL 733. Selective distribution of hom*o-LUMO in gold nanoclusters. Z. Wu 9:15 COLL 734. Understanding and prediction of the structures of ligand-protected gold nanoclusters using electron counting rule. Y. Gao, W. Xu, X.C. Zeng 9:55 COLL 735. Modulating the hierarchical fibrous assembly of Au nanoparticles with atomic precision. Q. Li, R. Jin

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10:15 Intermission. 10:45 COLL 736. Kinetic control of the seed-mediated growth of gold nanorods. G. Chen, R. Gallagher, X. Zhang 11:25 COLL 737. Hierarchical nanostructures through prescribed structural symmetry breaking. T.J. Kempa, B. Stephens, A. Kossak, M. Sliwa, T. Chowdhury 11:45 COLL 738. DNA-templated silver clusters. J.T. Petty, D. Chevrier, P. Zhang, T. Yeh, R. Dickson

11:50 COLL 756. Dynamics and mechanism of polyelectrolyte-neutral block copolymer micellization in aqueous solution by explicit atomistic MD simulations. R. Chockalingam, U. Natarajan

SECTION C

J. A. Hollingsworth, R. Nagarajan, Organizers J. Wang, Presiding 8:30 COLL 757. Layer-by-layer growth of DNAfunctionalized nanoparticle thin films with tailored surface architectures. D. Lewis, P. Gabrys, R. Macfarlane 8:50 COLL 758. Self assembly of polymer coated Au nanocrystals with controlled polymer grafting density. H. Yun, Y. Lee, J. Kim, J. Han, G. Stein, B. Kim 9:10 COLL 759. Multiscale modeling of DNAwrapped carbon nanotube nanosensors. L. Vukovic, A. Alizadehmojarad 9:30 COLL 760. Hybrid conjugated oligomer/polymer-metal nanoparticles. D. Tuncel 9:50 COLL 761. Directed organization of giant quantum dots (gQDs) during polymerization of ionic liquid (IL) crystalline mesophases. A. Joshi, H. Magurudeniya, C.J. Hanson, J.A. Hollingsworth, M.A. Firestone 10:10 COLL 762. Open circuit chemical corrosion drives porosity evolution of 3D bicontinuous nanoporous precious metal structures: In situ and real time kinetic study via synchrotron small angle X-ray scattering. A.A. Farghaly, M.M. Collinson, B. Lee, S. Seifert, K. Suthar 10:50 COLL 763. “Soft” epitaxy in DNA-nanoparticle thin films. P. Gabrys, R. Macfarlane 11:10 COLL 764. Influence of chain architecture on transport properties in polyelectrolyte functionalized mesopores. R. Brilmayer, A. Andrieu-Brunsen 11:30 COLL 765. Building up AuPd@m-SiO2 nanocatalyst with alloyed noble metal core and mesoporous silica shell structure: Designed composite for enhanced p-chloronitrobenzene hydrogenation selectivity. H. Yin, S. Zhou, G. Yang

Boston Convention & Exhibition Center Room 257B

Frontiers & Challenges in Nanoparticle-Mediated Chemical Transformations Nanocatalyst-Mediated Reactions H. Fan, J. He, Y. Sun, Organizers L. Jin, Presiding 8:30 COLL 739. Synthesis of hierarchical 4H/fcc Ru nanostructures for highly efficient hydrogen evolution in alkaline media. Q. Yun, Q. Lu, A. Wang, H. Zhang 8:50 COLL 740. Single-walled carbon nanotube mediated in situ electrochemistry. A.T. Liu, Y. Kunai, A. Cottrill, M. Strano 9:10 COLL 741. In-situ observation of plasmon-driven hydrogenation reactions within Au@Pd core-shell nanoparticles. K. Sytwu, M. Vadai, F. hayee, A. Koh, R. Sinclair, J.A. Dionne 9:30 COLL 742. Investigations of plasmonic enhancement for small molecule oxidation using gold nanoparticle decorated semiconductor heterostructures. J. Boltersdorf, G. Forcherio, J. McClure, D. Baker, A. Leff, C.A. Lundgren 9:50 Intermission. 10:05 COLL 743. Solvent mixing to induce aggregation: Applications to control molecular motor behavior. Y. Wei, B. Feringa 10:25 COLL 744. Molecular dynamics simulations of peptide conformations and interactions with gold nanoparticles. P. Rehak 10:45 COLL 745. Plasmonic hot-carriers mediated tunable photochemical reactions: A non-adiabatic molecular dynamics study of H2 splitting. Y. Zhang, S. Tretiak, T. Nelson, H. Guo, G.C. Schatz

SECTION D Boston Convention & Exhibition Center Room 259A

Basic Research in Colloids, Surfactants & Nanomaterials Polymers & Gels R. Nagarajan, Organizer P. D’Angelo, Presiding 8:30 COLL 746. Engineering the shape of non-crosslinked poly(styrene) particles. M. Liu, X. Zheng, F. Dong, M.D. Ward, M. Weck 8:50 COLL 747. Structure-property relationship in particle brush materials. J. Lee, Z. Wang, T. Deng, R. Davis, K. Matyjaszewski, M.R. Bockstaller 9:10 COLL 748. Improvement of personal thermal management by electrically conductive silver nanowirehydrogel textile coatings. P. D’Angelo, E.S. Hirst, J. Lum 9:30 COLL 749. Synthesis of functional particles by condensation and polymerization of monomer droplets in silicone oils. P. Karandikar, M. Gupta 9:50 COLL 750. Revisiting the colloidal fundamentals of water-dispersible polyesters: Interactions and self-assembly of polymer nanoaggregates in water. S. Islam, O.D. Velev 10:10 COLL 751. Green synthesis of polyrhodanine microspheres and its application for the adsorption of organic dye. M. Chauhan, A. Gaba, Y. Saleh, Q.R. Johnson, G. Longia, B.P. Chauhan 10:30 COLL 752. Soft-templating of ultra-large pores using block bottlebrush copolymer via a cooperative assembly approach. X. Xia, G. Bass, M. Becker, B.D. Vogt 10:50 COLL 753. Elucidating the effects of metalcomplexation on morphological and rheological properties of polymer solutions by a dissipative particle dynamics model. A. Vishnyakov, S. Kolattukudy Poulose, A.V. Neimark 11:10 COLL 754. Impact of amine rich polyelectrolyte coating chain length on AuNP-Liposome interaction. Z. Zheng, Z. Rosenzweig 11:30 COLL 755. Comparison of structure-property relationship of molecular gels prepared from simply structured alkanoic acid derivatives as efficient ambidextrous gelators. A.V. Mallia, K. Galinat, C. Dill

SECTION E Boston Convention & Exhibition Center Room 259B

Nanomaterials

SECTION F Boston Convention & Exhibition Center Room 105

Basic Research in Colloids, Surfactants & Nanomaterials Nano-Bio Interactions R. Nagarajan, Organizer L. Boselli, Presiding 8:30 COLL 766. Synergistic antimicrobial therapy using nanoparticles and antibiotics for the treatment of multidrugresistant bacterial infection. A. Gupta, N.M. Saleh, R. Das, R.F. Landis, A. Bigdeli, M. Mahmoudi, V.M. Rotello 8:50 COLL 767. Interactions between gold nanoparticles and lipid membranes: The effect of the liquid flow. C. Molinaro, F. Cecchet 9:10 COLL 768. Bionano interactions of ultrasmall nanoparticles: What the cell sees in this size regime. L. Boselli, E. Polo, V. Castagnola, F. Muraca, K. Dawson 9:30 COLL 769. Modifying the interactions between semiconductor quantum dots and bacterial targets. D.N. Williams, Z. Zheng, S. Pramanik, C.L. Haynes, Z. Rosenzweig 9:50 COLL 770. Elucidating biomolecular corona role for nanoparticle interactions. E. Polo 10:10 COLL 771. β-amyloid detection in an animal model of Alzheimer’s disease using glyconanoparticle. S. HossainiNasr 10:30 COLL 772. Small-angle scattering of interpenetrating polymer networks (IPNs) as medical devices with reduced risk of infection. G. Smith, E. Brok, M. Schmiele, L. Arleth, K. Mortensen, M. Alm, P. Thomsen 10:50 COLL 773. Correlating structural and functional heterogeneity of immobilized enzymes. D.F. Kienle, R. Falatach, J. Kaar, D.K. Schwartz 11:10 COLL 774. Self-assembly of nanoparticle-protein superstructures for the direct cytosolic protein delivery to lymphoma B cells. Y. Liu, X. Zhang, M. Ray, D. Luther, V.M. Rotello 11:30 COLL 775. Layer-by-layer nanoparticles for the detection and treatment of ovarian cancer. N. Boehnke, S. Correa, L. Hao, W. Wang, S. Bhatia, P.T. Hammond 11:50 COLL 776. Screening for canine transitional cell carcinoma (TCC) by SERS-based quantitative urine cytology. A. Pallaoro, R.Y. Mirsafavi, W.T. Culp, G.B. Braun, C.D. Meinhart, M. Moskovits

Boston Convention & Exhibition Center Room 252B

Nanomedicines: From Fundamentals to Applications Young Scientists & the Future Z. Gu, Z. Wang, J. Xie, J. Zheng, Organizers G. Han, Organizer, Presiding M. Yu, Presiding 8:30 COLL 777. Physiological stability and renal clearance of ultrasmall zwitterionic gold nanoparticles: Ligand length matters. X. Ning 8:50 COLL 778. Reinforcement of polymeric nanoassemblies for ultra-high drug loadings, modulation of stiffness and release kinetics, and sustained therapeutic efficacy. I. Ekladious, R. Liu, N. Varongchayakul, L.A. Mejia Cruz, D. Todd, H. Zhang, N.H. Oberlies, R.F. Padera, Y.L. Colson, M.W. Grinstaff 9:10 COLL 779. Co-aggregation of multiple drugs for chemotherapeutic delivery. E. Donders, A.N. Ganesh, B. Shoichet, M.S. Shoichet 9:30 COLL 780. Cationized albumin carrier for potential synergistic chemotherapy of non-muscle-invasive bladder cancer. S. Lu, J. Rahmat, R. Mahendran, E. Kang, E. Chiong, K. Neoh 9:50 COLL 781. Sequential co-delivery of EGFR inhibitor and doxorubicin for targeted combination chemotherapy. J. Lee, Z. Zhou, M. Jafari, V. Sriram 10:10 COLL 782. Highly engineered platinum nanoparticles as multifunctional active nanocarriers integrating the function of high-performance antioxidant drugs. M. Moglianetti 10:30 COLL 783. Fast releasing oral formulation of clofazimine nanoparticles prepared via flash nanoprecipitation as anti-cryptosporidiosis therapeutics. Y. Zhang, J. Feng, S. McManus, K. Ristroph, R.K. Prudhomme 10:50 COLL 784. Solid drug nanoparticles synthesised using spontaneous nanoprecipitation of tenofovir disoproxil fumerate: From proof of concept to in vivo pharmaco*kinetics of improved oral dosage. J.J. Hobson, P. Curley, A. Al-khouja, M. Siccardi, C. Flexner, C.L. Meyers, A. Owen, S. Rannard 11:10 COLL 785. Polymersomes based on temperaturesensitive poly(N-vinylcaprolactam) for anticancer therapy. V.A. Kozlovskaya, A. Alford, E.P. Kharlampieva 11:30 COLL 786. Hybrid viral/nonviral gene carriers for molecularly targeted, versatile cancer therapy. M. Lugin, K. Kelada, A. Fleischman, Y.J. Kwon 11:50 COLL 787. Cellulose-based photonic nanomaterials for biomedical imaging. B. Peng, M. Almeqdadi, F. Laroche, S. Palantavida, S. Peerzade, M. Dokukin, J. Roper, H. Feng, I. Sokolov 12:10 COLL 788. Biodegradable periodic shRNA systems for enhanced gene silencing. C. Wu, J. Li, W. Wang, P.T. Hammond

SECTION H Boston Convention & Exhibition Center Room 160A

Surface Chemistry Non-Metal Surface Chemistry S. L. Tait, Organizer A. Holm, C. E. Mohler, Presiding 8:30 COLL 795. Ultra-violet photoelectron spectroscopy studies on HOPG exfoliations in ambient air and ultra-high vacuum. M. Salim, M. Montgomery, H. Liu 8:50 COLL 796. Inverse electron demand Diels-Alder reaction for surface modification of sp2 hybridized carbon nanomaterials. J. Zhu, R. Lennox 9:10 COLL 797. Applying imaging XPS towards understanding surface phenomena of 2D-like and nano-material structures. J.M. Gorham, W.A. Osborn, J. Woodco*ck, K.C. Scott, J.M. Heddleston, A.R. Hight Walker, J. Gilman, F. DelRio, M.R. Amer, A. Alrasheed, S.A. Alodan, K. Chung 9:30 COLL 798. Langmuir-Blodgett deposition of graphene oxide — identifying Marangoni flow as a process that fundamentally limits deposition control. A. Holm, C.J. Wrasman, A.R. Riscoe, M. Cargnello, C.W. Frank 9:50 Intermission. 10:10 COLL 799. Surface complexation modeling of calcite zeta potential in mixed brines with varied ionic strength for carbonate wettability characterization. J. Song, Y. Zeng, X. Duan, M. Puerto, G.J. Hirasaki, S.L. Biswal 10:30 COLL 800. Molecular and dissociative adsorption of DMMP, Sarin and Soman on dry and wet TiO2(110) using density functional theory. Y.P. Cardona-Quintero, R. Nagarajan 10:50 COLL 801. Adsorption of high molecular weight polymers on clay surfaces. C.E. Mohler, M. Poindexter, G. Meyers, C. Reinhardt, A.I. Nakatani 11:10 COLL 802. Vibrational SFG of thermally treated clay minerals. A.E. Nessl, A. Montenegro, E. Howard, M. Mammetkuliyev, B.C. Melot, A.V. Benderskii

Functional Materials from Biopolymer Self-Assembly & Self-Organization Sponsored by CELL, Cosponsored by CARB, COLL, ENVR and POLY

Peter Derrick Memorial Symposium: Nanomaterials & Safe Evaluation Nanomaterials & Safe Evaluation Sponsored by ENFL, Cosponsored by ANYL and COLL

Surface, Interface & Coating Materials New Developments in Coating Industry Sponsored by PMSE, Cosponsored by COLL and POLY

COMP

Synthetic Self-Assembled Systems for Drug & Nucleic Acid Delivery: New Materials, Formulation Strategies, Targeting, Toxicity & Regulatory Issues

Division of Computers in Chemistry

M. A. Ilies, Organizer K. Sakurai, Organizer, Presiding 8:30 COLL 789. Size characterization of micelles and microemulsions by Taylor dispersion analysis. V. Jannin, H. Cottet 9:00 COLL 790. Polymeric micelles for therapeutic delivery of hydrogen sulfide. U. Hasegawa, A. van der Vlies, J.J. Chen 9:30 COLL 791. Complexation loading of antimicrobial peptides into microgel-modified surfaces. J. Liang, M. Libera 10:00 Intermission. 10:15 COLL 792. Novel, self-assembled PLGA-PEG-PLGA nanogels, ultilizing multiple non-covalent interactions for the extended and controlled release of nucleic acid conjugates to treat secondary cataracts. L.L. Osorno, R. Getts, M. GeorgeWeinstein, M. Byrne 10:45 COLL 793. Yeast β-glucan functionalized graphene oxide for targeted delivery of CpG ODNs and enhanced cancer immunotherapy. H. Zhang, J. Chen 11:15 COLL 794. Time-lapse live cell imaging to monitor doxorubicin release from DNA origami nanostructures. R. Wang, Y. Zeng, J. Liu, S. Yang, W. Liu, L. Xu

H. Woodco*ck, J. Shen and M. Feig, Program Chairs

SECTION I Boston Convention & Exhibition Center Room 156A

SUNDAY MORNING SECTION A Westin Boston Waterfront Adams

Material Science C. M. Aikens, Organizer M. Pardakhti, Presiding 8:30 COMP 1. Extended Hückel calculations on solids using the Avogadro molecular editor and visualizer. P. Avery, H. Ludowieg, J. Autschbach, E. Zurek 8:55 COMP 2. Unusual electronic properties of phosphorene and template-directed porphyrin nanotubes: New insights from large-scale DFT calculations. B.M. Wong, S.I. Allec, N.V. Ilawe 9:20 COMP 3. Semiempirical modeling of plasmonic Ag nanoclusters and the chemical mechanism in surfaceenhanced Raman scattering. R. Gieseking, M.A. Ratner, G.C. Schatz 9:45 COMP 4. Real-time simulation of photoinduced molecular spin-plasmon dynamics. C.T. Chapman 10:10 Intermission.

10:30 COMP 5. Auger recombination in CdSe nanocrystals: Excitonic effects and non-volume scaling in nanorods. J.P. Philbin, E. Rabani 10:55 COMP 6. Development of geminal-screened electronhole interaction kernel method for calculation of excitonic properties in colloidal quantum dots. P. McLaughlin, J. Scher, M. Bayne, A. Chakraborty 11:20 COMP 7. Boost small polaron transport in transition metal oxides by atomic doping. Y. Ping

SECTION B Westin Boston Waterfront Faneuil

Recent Advances in DFT & TDDFT: Theory & Simulations N. Govind, K. Lopata, Organizers C. Huang, Organizer, Presiding 8:30 Introductory Remarks. 8:35 COMP 8. Localized orbital scaling correction for systematic elimination of delocalization and static/strong correlation error in density functional approximations. W. Yang 9:05 COMP 9. Tuned quantification of particle-hole distance in charge-transfer excitations: A revised version of the DCT index. M. Campetella, A. Perfetto, I. Ciofini 9:20 COMP 10. Accurate f*ckui functions of finite systems by orbital-free DFT. M. Pavanello 9:50 COMP 11. Energetics and band-gap engineering in heterojunction solar cells and graphene/fluorographene interfaces. S. Das, B. Barbiellini, P. Somasundaran, V. Renugopalakrishnan 10:05 COMP 12. Recovering exact conditions at semi-local DFT cost to mitigate energy and density errors for transition metal chemistry. H.J. Kulik 10:35 Intermission. 10:50 COMP 13. DFT-based embedding theories: Wavefunction-embedding, dynamics, excited states, and applications. T.F. Miller 11:20 COMP 14. Correcting DFT errors through v-representable density partitioning. P. de Silva, T. Zhu, T.A. Van Voorhis 11:35 COMP 15. Density functional theory of molecular fragments. A. Wasserman 12:05 COMP 16. Exploring new density-functional embedding techniques for strongly correlated electrons: From model to ab initio Hamiltonians. B. Senjean, N. Nakatani, M. Tsuchiizu, E. Fromager

SECTION C Westin Boston Waterfront Alcott

COMP Meets CRYO: New Frontiers in Flexible Fitting, Image Processing & Refinement of Cryo-EM Data G. Palermo, M. Feig, Organizers, Presiding 8:30 COMP 17. Inclusion of Cryo-EM data in flexible protein-protein docking. M. Zacharias 9:10 COMP 18. Computational tools to characterize structure and dynamics of biomolecular systems from single molecule experiments. F. Tama 9:50 COMP 19. Development of the flexible-fitting MD simulation method for cryo-EM images of large macromolecular structures and dynamics. Y. Sugita, T. Mori 10:30 Intermission. 11:00 COMP 20. Emerging unified description of transcription initiation from cryo-EM and integrative computational modeling. C. Yan, Y. He, I.N. Ivanov 11:40 COMP 21. Cryo-EM structure determination of large RNAs. N. Toor

SECTION D Westin Boston Waterfront Douglass

Membrane Protein Simulations & Free Energy Approaches Receptors & Force Field N. K. Banavali, W. Im, Organizers Y. L. Luo, Organizer, Presiding C. N. Rowley, Presiding 8:30 COMP 22. Computational study of allosteric regulation of type 1 serine/threonine kinase receptors. Y.L. Luo, W. Botello-Smith, A. Alsamarah, P. Chatterjee, C. Xie, J. Lacroix, J. Hao 8:55 COMP 23. Binding to glutamate receptors: Follow the yellow brick road. A. Yu, H. Salazar, A. Plested, A. Lau

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SECTION G

TECHNICAL PROGRAM

COMP 9:20 COMP 24. Molecular basis of stress-related a Class B GPCR using multiscale modeling. C. Liao, J. Li, M. Brewer, V. May 9:45 COMP 25. Binding modes and effects of allosteric drug leads in the Adenosine A1 receptor. Y. Miao, A. Bhattarai, A.T. Nguyen, L.T. May, A. Christopoulos 10:10 Intermission. 10:30 COMP 26. Development and application of a polarizable force field based on the classical drude oscillator. A.D. Mackerell 10:55 COMP 27. Molecular mechanical force fields with higher-order dispersion terms using the exchange-hole dipole moment model. C.N. Rowley, E.R. Johnson, M. Mohebifar, E. Walters 11:20 COMP 28. Achieving a high level of accuracy in modeling protein-ligand binding. E. Harder, C. Wu, W. Damm, A. Roos, M. Reboul, J. Stevenson, R. Abel

SECTION E Westin Boston Waterfront Paine

Computational Studies of Water D. J. Sindhikara, Organizer Y. Jin, Presiding 8:30 COMP 29. Thermodynamic anomalies in deeply stretched water. R.S. Singh, Y. Altabet, F. Stillinger, P.G. Debenedetti 8:45 COMP 30. Molecular dynamics study of TMAO and urea aqueous solutions. X. Teng, T. Ichiye 9:00 COMP 31. SSTMap: A computational tool creating solvation thermodynamic and structural maps from molecular dynamics trajectories. S. Ramsey, K. Haider, A. Cruz, M.K. Gilson, T.P. Kurtzman 9:15 COMP 32. Elucidating molecular motions of water using three-state transition matrices of hydrogen bond network patterns. L. Edens, T. Zhou, T. Markland, A.E. Clark 9:30 COMP 33. Accelerating the 3D-RISM implicit solvent model using treecode and multigrid methods. L. Wilson, G. Limon, R. Kransy, T. Luchko 9:55 COMP 34. Incorporating solvation thermodynamic mapping into docking. T.E. Balius, M. Fischer, M.K. Gilson, B. Shoichet, T.P. Kurtzman 10:20 Intermission. 10:35 COMP 35. Using range-separated hybrids for better electron vertical detachment energies in water cluster anions. C. Zho, V. Vlcek, D. Neuhauser, B.J. Schwartz 10:50 COMP 36. Modeling hydration, one water molecule at a time. P. Bajaj, M. Riera, A.W. Goetz, D.R. Moberg, F. Paesani 11:15 COMP 37. Theoretical description of the polarization dependence of vibrational sum frequency generation spectroscopy at the water/vapor interface. P.B. Moore, B. Space 11:40 COMP 38. Pursuing the ab initio complete basis set limit for the harmonic vibrational frequencies of explicitly solvated halide and pseudo-halide ions. G.S. Tschumper 12:05 COMP 39. Physics of the anomalous diffusion coefficients of monovalent ions in water. C. Dharmawardhana, Q. Huang, X. Teng, A.C. Simmonett, J.M. Rodgers, T. Ichiye 12:20 COMP 40. Structure and exchange kinetics of water at xenotime mineral interface: An application to beneficiation of rare earth elements. S. Roy, S. Goverapet Srinivasan, V. Bryantsev

2:20 COMP 43. Predicting ternary phase diagrams from molecular simulations. J. McDonagh, M.A. Johnston, W.C. Swope, R.L. Anderson, E. Pyzer-Knapp, D. Bray 2:45 COMP 44. COSMOplex: A completely new paradigm for the self-consistent simulation of self-organizing liquid systems. A. Klamt, T. Gaudin, J. Schwöbel, U. Huniar 3:10 COMP 45. Free-energy predictions of self-assembling polymers through nanoscale simulations. A. Pietropaolo 3:35 Intermission. 3:50 COMP 46. Development and testing of a dissipative particle dynamics force field for nonionic surfactants derived using experimental micellar property data. W.C. Swope, A. Duff, M.A. Johnston, R.L. Anderson 4:15 COMP 47. Visualizing and quantifying structural ordering underlying static structure factor peaks from molecular dynamics simulations of ionic liquids. R.A. Wheeler, T. Mackoy, R.A. Richardson 4:40 COMP 48. Bottom-up coarse-graining of polyelectrolyte-coated gold nanoparticles. G. Chong, R. Hernandez 5:05 COMP 49. Toward the computational design of nanoreceptors with intelligent recognition abilities. L. Riccardi, F. Rastrelli, F. Mancin, M. Devivo

1:30 COMP 64. Insights from molecular simulations of the ion-pumping NADH-ubiquinone oxidoreductase (NQR). W. Menzer, C. Li, O. Juarez, D.D. Minh 1:55 COMP 65. Conformational changes between E1P to E2P states of SERCA by MD simulations based on string method and free-energy calculations. Y. Sugita, C. Kobayashi 2:20 COMP 66. Characterization of the dynamics in the central binding site and the extracellular vestibule of the serotonin transporter reveals new ligand discovery opportunities. A. Abramyan, L. Shi 2:45 COMP 67. Cation-specific modulations in the interacting allosteric network in LeuT binding pocket. S. Noskov 3:10 Intermission. 3:30 COMP 68. Atomistic string method solution for ion channel gating and modulation by general anesthetics. B. Lev, S. Murail, F. Poitevin, B. Cromer, M. Baaden, M. Delarue, T.W. Allen 3:55 COMP 69. Gating and modulation of inward rectifier potassium channels. V. Jogini, D.E. Shaw 4:20 COMP 70. Regulation of ion permeation in K channels: From kinetic models to atomistic simulations and back. S. Bernèche

SECTION B

SECTION E

Westin Boston Waterfront Faneuil

Westin Boston Waterfront Paine

Recent Advances in DFT & TDDFT: Theory & Simulations

Emerging Technologies in Computational Chemistry

N. Govind, C. Huang, K. Lopata, Organizers S. Sharifzadeh, Presiding 1:30 COMP 50. Building memory-dependent functionals in time-dependent density functional theory. N.T. Maitra 2:00 COMP 51. Exciton – vibrational couplings in ordered molecular arrays. A. Mukazhanova, N.C. Frey, A. Mazaheripour, A. Bartlett, H. Nguyen, A.A. Gorodetsky, S. Sharifzadeh 2:15 COMP 52. Recent advances in relativistic TDDFT. X. Li, J.M. Kasper, T. Stetina, A. Petrone 2:45 COMP 53. Angle-dependent strong-field molecular ionization rates with tuned range-separated time-dependent density functional theory. A. Sissay, P. Abanador, F. Mauger, K. Schafer, M. Gaarde, K. Lopata 3:00 COMP 54. Non-linear conductivity of liquid aluminum from real-time time-dependent density functional theory. X. Andrade 3:30 Intermission. 3:45 COMP 55. Fast TDDFT with the parallel transport gauge. L. Lin 4:15 COMP 56. MADNESS: Linear response at the basis set limit. B. Sundahl, R.J. Harrison 4:30 COMP 57. Multiscale modeling and computation of optically manipulated nano devices. D. Liu 5:00 COMP 58. Self-consistent predictor/corrector algorithms for probably stable propagation of the timedependent Kohn-Sham orbitals. J. Herbert, Y. Zhu

SECTION C Westin Boston Waterfront Alcott

COMP Meets CRYO: New Frontiers in Flexible Fitting, Image Processing & Refinement of Cryo-EM Data

Westin Boston Waterfront Adams

G. Palermo, M. Feig, Organizers, Presiding 1:30 COMP 59. Structural basis of eukaryotic transcription promoter opening at near-atomic resolution. C. Yan, Y. He, I.N. Ivanov, E. Nogales 2:10 COMP 60. Iterative molecular dynamics−Rosetta membrane protein structure refinement guided by cryo-EM densities. S. Leelananda, S. Lindert 2:50 COMP 61. Imaging viral RNA genomes and RNA transcription in action by cryoEM. H.H. Zhou 3:30 Intermission. 4:00 COMP 62. Classification of single particles from human cell extract reveals distinct structures. E. Verbeke, A. Mallam, K. Drew, E.M. Marcotte, D. Taylor 4:40 COMP 63. Dealing with dynamics and disorder in single-particle cryo-EM. G. Hummer, P. Cossio

Material Science

SECTION D

C. M. Aikens, Organizer F. Liu, Presiding 1:30 COMP 41. Designing hybrid biological materials: Controlling morphology via molecular composition. S. Mushnoori, K. Schmidt, V. Nanda, M. Dutt 1:55 COMP 42. Nanoscale isolated island polymer brushes: A simulation study. O. Davydovich, N. Chen, A. Sidorenko, P.B. Moore

Membrane Protein Simulations & Free Energy Approaches Ion Pumps, Ion Channel & Transporters

Merck Research Award Symposium Sponsored by WCC, Cosponsored by ANYL, COMP, MEDI and PROF

Use of Computer Simulation to Teach Chemical Kinetics & Enzyme Kinetics in Undergraduate Research & Education Sponsored by CHED, Cosponsored by BIOL and COMP

SUNDAY AFTERNOON SECTION A

144

Westin Boston Waterfront Douglass

N. K. Banavali, W. Im, Y. L. Luo, Organizers T. W. Allen, S. Noskov, Presiding

C. L. Simmerling, Organizer E. Metwally, Presiding 1:30 COMP 71. Leveraging expanding purchasable chemical space for ligand discovery. T.E. Balius, J. Lyu, A. Levit, I. Singh, J. McCorvy, S. Wang, M. O’Meara, B. Shoichet, B.L. Roth, J.J. Irwin 2:00 COMP 72. Technologies for computational chemistry at the Texas Advanced Computing Center. W.J. Allen, J.M. Fonner 2:30 COMP 73. QuanSA: Quantitative surface-field analysis, causal models for 3D-QSAR. A.N. Jain, A.E. Cleves 3:00 Intermission. 3:20 COMP 74. Cheminformatics approach to exploring and modeling trait-associated metabolite profiles. J. Ash, M. Kuenemann, D. Rotroff, A. Motsinger-Reif, D. Fourches 3:50 COMP 75. Allosteric communication networks in proteins revealed through pocket Crosstalk analysis. G. La Sala, S. Decherchi, M. Devivo, W. Rocchia 4:20 Judging and Announcements.

MONDAY MORNING SECTION A Westin Boston Waterfront Adams

Computational Photocatalysis: Modeling of Photophysics & Photochemistry at Interfaces Cosponsored by PHYS Y. Han, D. Kilin, Organizers S. W. Kilina, Organizer, Presiding A. Kryjevski, Presiding 8:30 Introductory Remarks. 8:35 COMP 76. Multiple exciton generation in chiral single-walled carbon nanotubes: DFT-based study including competition between carrier multiplication and phonon-mediated relaxation, energy and charge transfer. A. Kryjevski, D. Mihaylov, S.W. Kilina, D. Kilin 9:05 COMP 77. Manipulating the phonon bottleneck in graphene quantum dots. H. Cheng 9:35 COMP 78. Physical properties of conjugated nanopore materials. Y. Dahnovsky, A. Pimachev 10:05 COMP 79. Obtaining a statistical description of excited state properties in noisy chemical environments. A. Chakraborty 10:20 Intermission. 10:35 COMP 80. Engineered quantum dots and solar energy conversion. V.I. Klimov 11:15 COMP 81. Elevated excitation intensity studies of semiconductor nanocrystals. R.D. Schaller 11:45 COMP 82. Absorption and transport in thin nanoparticle solids. G. Zimanyi 12:15 COMP 83. Impact of binding conformations on charge transfer in CdSe quantum dots capped by N719 dyes. S. Kilina, D. Vogel

SECTION B Westin Boston Waterfront Faneuil

N. Govind, C. Huang, K. Lopata, Organizers H. J. Kulik, Presiding 8:30 COMP 84. Advances in nontraditional density-based electronic structure theories. X. Zhang, Q. Ou, K. Yu, B.G. del Rio, W.C. Witt, J.M. Dieterich, E.A. Carter 9:00 COMP 85. Understanding and correcting DFT errors in ground and excited electronic states. F. Liu, T.J. Martinez, H.J. Kulik 9:15 COMP 86. Many pair expansion. T.A. Van Voorhis 9:45 COMP 87. Spectrum of the visual chromophore by multiconfiguration pair-density functional theory: Design of a strategy for automatic active space selection. S. Dong, L. Gagliardi, D.G. Truhlar 10:00 COMP 88. Combinatorial design and assessment of density functionals up to the top of Jacob’s ladder. M.P. Head-Gordon 10:30 Intermission. 10:45 COMP 89. Theory of density-corrected density functional theory. K. Burke, E. Sim, S. Song 11:15 COMP 90. Non-empirical corrections for simultaneous correction of delocalization and static correlation errors in density functional theory. A. Bajaj, H.J. Kulik 11:30 COMP 91. SCAN meta-GGA and beyond. J. Sun 12:00 COMP 92. How can quantum chemistry help experiment to tackle the complex properties of dodecaborates anions? E. Apra, J. Warneke

SECTION C Westin Boston Waterfront Alcott

Revolutionizing Chemistry with Artificial Intelligence AI for Small Molecules & Organic Reactions P. Das, R. K. Das, O. Isayev, Organizers, Presiding 8:30 COMP 93. Deep learning for lead optimization: Junction tree variational autoencoder for molecular graph generation. R. Barzilay 8:55 COMP 94. SMILES2vec: An interpretable generalpurpose deep neural network for predicting chemical properties. N. Hodas, C. Siegel, A. Vishnu, G. Goh 9:15 COMP 95. Application of AI to the REAL space: A step ahead to expand the synthetically feasible chemical space. Y. Moroz, A. Zhemera, O. Isayev, M. Popova 9:35 COMP 96. Adversarial threshold neural computer for molecular de novo design. E. Putin, A. Asadulaev, Q. Vanhaelen, Y. Ivanenkov, A. Aliper, A. Zhavoronkov 9:55 Intermission. 10:10 COMP 97. Designing an informative training data set for data-driven molecular property prediction. S. Rangarajan 10:30 COMP 98. Neural message passing and spectral graph transformations for property prediction of monomers and polymers. N. Wilson, P. St. John, M.R. Nimlos, M.F. Crowley 10:45 COMP 99. De novo molecular design using deep reinforcement learning methods. H. Chen, M. Olivercrona, T. Blaschke, O. Engkvist, T. Kogej, C. Tyrchan 11:05 COMP 100. Learning over graphs and geometries: Accelerated chemical discovery with computational chemistry data. R. Gomez Bombarelli 11:25 COMP 101. “Found in Translation”: A deeper analysis of neural machine translation models for chemical reaction prediction. P. Schwaller, T. Gaudin, D. Lanyi, C. Bekas, T. Laino

SECTION D Westin Boston Waterfront Douglass

Membrane Protein Simulations & Free Energy Approaches Protein-Lipid Interactions N. K. Banavali, W. Im, Y. L. Luo, Organizers R. Pomes, J. Robertson, Presiding 8:30 COMP 102. Diffusion and self-assembly of nanostructures in lipid membranes. G. Hummer, M. Vögele 8:55 COMP 103. Lipid-protein interactions are unique fingerprints for membrane proteins. D. Tieleman, V. Corradi, S. Marrink 9:20 COMP 104. Folding and assembly of peptides and proteins in membranes. R. Pomes 9:45 COMP 105. Understanding detergent-induced structural and dynamic perturbations in mitochondrial carriers. C. Chipot, F. Dehez, P. Schanda

10:10 Intermission. 10:30 COMP 106. Tuning the stability of membrane protein dimerization by changing the lipid solvent. R. Chadda, A. Gil Ley, K. Struve, V. Krishnamani, L. Hughes, E.G. Kelley, S. Marujo-Teixeira, J. Faraldo-Gomez, J. Robertson 10:55 COMP 107. Membrane binding of soluble enzymes, explored through simulation of bacterial P450s. J.V. Vermaas, G. Beckham, M.F. Crowley 11:20 COMP 108. Molecular perspective on protein-protein interactions at the tight junctions interface. S. Nangia

SECTION E Westin Boston Waterfront Paine

Data to Decisions: Frank Brown Memorial Symposium Financially supported by BIOVIA C. L. Waller, Organizer A. Tropsha, Organizer, Presiding 8:30 Introductory Remarks. 8:35 COMP 109. The messy world of clinical trials: Why technology, data, and user centricity matters – and why Frank’s legacy will live on. D.K. Agrafiotis 9:00 COMP 110. Automated data analysis templates for SAR development and ADME optimization. L.B. Akella, G. Berellini, G.R. Bhisetti, L. Silvian 9:25 COMP 111. Potency and patents, new arenas for matched molecular pair analysis in the artificial intelligence world. A. Dossetter, E.J. Griffen, A.G. Leach, S. Montague 9:50 Intermission. 10:05 COMP 112. Hope is not a plan: Strategic application of chemical biology informatics to enable phenotypic screening and target validation. P. Kutchukian 10:30 COMP 113. Coupling biophysical approaches with molecular simulations to optimize compounds for challenging disease targets. W. Sherman 10:55 COMP 114. Informatics platform to facilitate chemical education and knowledge utilization. J. Lee 11:20 COMP 115. Therapeutic molecule foresight tool saving lives and saving billions of dollars. A. Leszczynska, M. Schreiber, A. Hamed 11:45 COMP 116. Reminiscing about the future of QSAR. A. Tropsha 12:10 Concluding Remarks.

MONDAY AFTERNOON SECTION A Westin Boston Waterfront Adams

Computational Photocatalysis: Modeling of Photophysics & Photochemistry at Interfaces Cosponsored by PHYS Y. Han, S. W. Kilina, Organizers D. Kilin, Organizer, Presiding 1:30 COMP 117. Coherent and incoherent mechanisms of energy transfer. A. Aspuru-Guzik 2:00 COMP 118. Nonmarkovian effects in molecular photocells. M.A. Ochoa, M. Zwolak 2:30 COMP 119. New strategies for non-adiabatic dynamics with trajectories: Theory and applications. I. Tavernelli 3:00 COMP 120. Energy-transfer enhanced photocatalytic reduction of protons within quantum dot light harvesting– catalyst assemblies. M. Kodaimati, S. Lian, G.C. Schatz, E.A. Weiss 3:15 Intermission. 3:30 COMP 121. Calculating structural, optical, and conductivity properties of nanostructured semiconductor surfaces with ab initio and density matrix methods. D.A. Micha 4:00 COMP 122. Predictive description of photo-induced electron transfer or transport through molecular-resolved interface. B.D. Dunietz 4:30 COMP 123. Interfacial proton-coupled electron transfer: Artificial photosynthesis and photoreduced nanoparticles. S. Hammes-Schiffer 5:10 COMP 124. Investigating photoinduced proton coupled electron transfer reaction using quasi diabatic dynamics propagation. P. Huo

SECTION B Westin Boston Waterfront Faneuil

Recent Advances in DFT & TDDFT: Theory & Simulations C. Huang, K. Lopata, Organizers N. Govind, Organizer, Presiding 1:30 COMP 125. Coupling first principles molecular dynamics and many body perturbation theory calculations. G.A. Galli 2:00 COMP 126. Large-scale GW calculations on pre-exascale HPC systems. M. Del Ben, F. da Jornada, A. Canning, S.G. Louie, J. Deslippe 2:30 COMP 127. Many-body perturbation theory analysis of point defects in bulk and monolayer semiconducting materials. K. Lewis, S. Sharifzadeh 3:00 COMP 128. Real-time and finite temperature Green’s function approaches for excited states, response functions, and thermodynamics. F.D. Vila, J.J. Kas, J.J. Rehr 3:30 Intermission. 3:45 COMP 129. Green’s function coupled-cluster: Simulating spectral function for real molecular systems. B. Peng, K. Kowalski 4:15 COMP 130. Understanding excited-states of a perylene diimide nanowire from first principles theory. T. Huang, A. Mukazhanova, S. Sharifzadeh 4:30 COMP 131. TDDFT response for chiroptical spectroscopies. J. Autschbach 5:00 COMP 132. Using TDDFT for improved absorption lineshapes for molecules in solution: Combining ensemble sampling, vibronic effects, and energy gap autocorrelation functions. C. Isborn

SECTION C Westin Boston Waterfront Alcott

Revolutionizing Chemistry with Artificial Intelligence AI for Small Molecules & Organic Reactions P. Das, R. K. Das, O. Isayev, Organizers, Presiding 1:30 COMP 133. Generative models for structure-based drug design. D. Koes 1:55 COMP 134. De novo drug design with deep generative models. P. Das 2:15 COMP 135. Imputation of protein activity data using deep learning. T. Whitehead, P. Hunt, B. Pellegrini, M.D. Segall, G. Conduit 2:35 COMP 136. AI driven design of novel kinase inhibitors. O. Isayev, M. Popova, A. Tropsha 2:55 Intermission. 3:10 COMP 137. Active search for computer-aided drug design. J.D. Hirst, S. Oatley, D. Oglic, T. Gaertner 3:30 COMP 138. Improving docking-based virtual screening with convolutional neural networks. J. Cruz Pereira, C. Santos, E. Caffarena 3:50 COMP 139. Quantitative label free surface enhanced Raman scattering spectroscopy in the single molecule regime enabled by deep convolutional neural networks. W. Thrift 4:05 COMP 140. Leveraging generative models for the directed expansion of compound libraries. V. Sresht, S. Ra, B.K. Rai, B.A. Lefker, A. Mathiowetz 4:25 COMP 141. Accelerating research through lab notebook prospecting: A chemistry recommender system. S. Rohall, M. Pancost-Heidebrecht, B. Shirley, D. Bacon, M. Tarselli

SECTION D Westin Boston Waterfront Douglass

Membrane Protein Simulations & Free Energy Approaches Protein-Lipid & Protein-Protein Interactions N. K. Banavali, W. Im, Y. L. Luo, Organizers J. Gumbart, A. C. Pan, Presiding 1:30 COMP 142. Molecular dynamics study of the Flock House virus membrane active peptide: Evaluation of binding, folding, oligomerization and pore formation mechanisms and energetics. S. Nangia, J. Pattis, E.R. May 1:55 COMP 143. Surface dilution kinetics: The association of phospholipase A2 with lipid-bilayers. V. Mouchlis, J. McCammon, E.A. Dennis 2:20 COMP 144. Free energy sampling of hierarchical dynamic landscapes in membrane environment. W. Yang 2:45 COMP 145. Flexibility of free and AcrB-bound AcrA in the AcrAB-TolC multidrug efflux pump of Escherichia coli determined using 3D PMFs. A. Hazel, J. Gumbart 3:10 Intermission.

145

TECHNICAL PROGRAM

Recent Advances in DFT & TDDFT: Theory & Simulations

TECHNICAL PROGRAM

COMP 3:30 COMP 146. Free energy profile and the dimer-tomonomer equilibrium of the phospholipase PlaF from Pseudomonas aeruginosa. S. Schott-Verdugo, S. Ahmad, R. Batra-Safferling, J. Granzin, F. Kovacic, K. Jaeger, H. Gohlke 3:55 COMP 147. Unveiling a regulation mechanism of small GPTases on activity of plexin-B1 membrane receptor. Z. Li, J. Muller-Greven, M. Buck 4:20 COMP 148. Atomic-level characterization of proteinprotein association. A.C. Pan, D. Jacobson, K. Yatsenko, D. Sritharan, T.M. Weinreich, D.E. Shaw 4:45 COMP 149. Raf promotes dimerization of the Ras G-domain in the presence of membrane head group components. C. Mattos

SECTION E Westin Boston Waterfront Paine

Data to Decisions: Frank Brown Memorial Symposium A. Tropsha, Organizer C. L. Waller, Organizer, Presiding 1:30 Introductory Remarks. 1:35 COMP 150. Mining clinical trials information using text mining and cheminformatics technologies. T.I. Oprea 2:00 COMP 151. Analysis of large chemical-biological space aimed at discovery of novel anti-HIV agents. D. Druzhilovskiy, D. Filimonov, A. Veselovsky, V. Bezhentsev, L. Stolbov, V. Poroikov, M.C. Nicklaus 2:25 COMP 152. Data is like paint… it does no good until it is applied. M.D. Segall 2:50 COMP 153. Translating metabolomic data into therapeutics insights using artificial intelligence. L. Pirhaji 3:15 Intermission. 3:30 COMP 154. Expanding the impact of computational modeling in the pharmaceutical industry beyond discovery chemistry. E.C. Sherer 3:55 COMP 155. ToxPHACTS – Data driven decision support for toxicologists. G.F. Ecker, B. Knasmueller, B. Neckam, M. Grandits, A. Dangl 4:20 COMP 156. Accelerating problem solving and decision making in medicinal chemistry through visualisation. P.C. Hawkins, K. Boda 4:45 COMP 157. Data to decisions: Creating a culture of model-driven drug discovery. C.L. Waller 5:10 Concluding Remarks.

9:30 COMP 160. Electronic excited states from nonorthogonal configuration interaction: Valence and core excitations, and strong correlations. M.P. Head-Gordon 10:00 COMP 161. Understanding electron-nuclear dynamics of supported gold nanoparticles on titanium oxide surfaces for photocatalysis. R.D. Senanayake, A.Z. Clayborne, K. Honkala, C.M. Aikens 10:15 Intermission. 10:30 COMP 162. Treating large-scale strong correlation with adaptive configuration interaction and the driven similarity renormalization group. J.B. Schriber, C. Li, F.A. Evangelista 11:00 COMP 163. Modeling excited state chemistry with TDDFT. S.M. Parker, S. Roy, L. Mohanam, A. Robledo, F.U. Furche 11:30 COMP 164. Defect-induced conical intersections in semiconductor nanocrystals. B.G. Levine, Y. Shu, B. Fales, W. Peng, M.P. Esch, D. Hardwick 12:00 COMP 165. Thermochemical predictions for transition metal species: From DFT to ab initio approaches. A.K. Wilson

SECTION B Westin Boston Waterfront Faneuil

Recent Advances in DFT & TDDFT: Theory & Simulations

MONDAY EVENING

N. Govind, C. Huang, K. Lopata, Organizers J. Sun, Presiding 8:30 COMP 166. Recent progress in exchangecorrelation functionals for Kohn-Sham DFT, in TDDFT, and in multiconfiguration pair-density functional theory. D.G. Truhlar 9:00 COMP 167. How do DFT+U and hybrids alter widely applied linear scaling relations in heterogeneous catalysis? Q. Zhao, H.J. Kulik 9:15 COMP 168. Solving the density functional conundrum: Elimination of systematic errors to derive accurate reaction enthalpies of complex organic reactions. K. Raghavachari, A. Sengupta 9:45 COMP 169. Characterizing density and delocalization errors in DFT. D. Hait, M.P. Head-Gordon 10:00 COMP 170. Density functional theory and twoelectron reduced-density matrix methods. A.E. DePrince 10:30 Intermission. 10:45 COMP 171. Excitonic effects with stochastic TDDFT: Application to large phosphorene sheets. D. Neuhauser, E. Rabani, V. Vlcek 11:15 COMP 172. Development of stochastic linearresponse TDDFT method for obtaining distribution of excited state properties. J. Scher, A. Chakraborty 11:30 COMP 173. Attacking the strong scaling limit in linear scaling hybrid density functional theory. J. Jia, A. Vazquez-Mayagoitia, R.A. Distasio 12:00 COMP 174. Excited-electron dynamics due to particle radiation in solids and near surfaces from time-dependent density functional theory. A. Schleife

SECTION A

SECTION C

Undergraduate Research Posters Computational Chemistry Sponsored by CHED, Cosponsored by COMP and SOCED

Materials in Extreme Environments New High Pressure Phases Sponsored by PHYS, Cosponsored by COMP

Boston Convention & Exhibition Center Exhibit Hall B2/C

Sci-Mix H. L. Woodco*ck, Organizer 8:00 – 10:00 231-233, 235-237, 241, 243, 271, 294-295, 310-311, 316-318, 323-324, 338-339, 344-345, 348-349, 355, 357, 361, 369, 371, 376, 379, 383, 392-396, 400, 410, 412-421, 423, 426430, 439-440. See subsequent listings.

TUESDAY MORNING SECTION A Westin Boston Waterfront Adams

Computational Photocatalysis: Modeling of Photophysics & Photochemistry at Interfaces Cosponsored by PHYS Y. Han, D. Kilin, Organizers S. W. Kilina, Organizer, Presiding B. G. Levine, Presiding 8:30 COMP 158. Spin-correct spin-flip using ORMAS. M.S. Gordon, J. Mato 9:00 COMP 159. Equation-of-motion relativistic coupled-cluster theory. X. Li, D. Williams-Young, L. Koulias, A.E. DePrince, D. Silva

146

Westin Boston Waterfront Alcott

Revolutionizing Chemistry with Artificial Intelligence AI & Quantum Calculations P. Das, R. K. Das, O. Isayev, Organizers, Presiding 8:30 COMP 175. Searching for the Holy Grail: Fast and accurate force fields. G. Csanyi 8:50 COMP 176. Automated machine learning of manybody potentials for accurate molecular simulations. S. Reddy, T. Nguyen, Y. Zhai, A.W. Goetz 9:05 COMP 177. Machines learning physics: Deep tensor neural networks for dynamically optimized effective Hamiltonians. B.T. Nebgen, N. Lubbers, S. Tretiak 9:25 Intermission. 9:40 COMP 178. Genetic algorithm aided DFT studies of heterogeneous catalytic materials and reactions. Y. Fang, T. Nie, X. Gong 10:00 COMP 179. Novel and transferable charge partitioning scheme using a deep neural network. A. Sifain, N. Lubbers, B.T. Nebgen, J.S. Smith, A. Lokhov, O. Isayev, A.E. Roitberg, S. Tretiak 10:15 COMP 180. Data-driven many-body representations with chemical accuracy for molecular simulations from the gas to the condensed phase. T. Nguyen, E. Szekely, G. Imbalzano, J. Behler, G. Csanyi, M. Ceriotti, A.W. Goetz, F. Paesani

10:40 COMP 181. Evolutionary design of organic molecules based on deep learning and genetic algorithm. Y. Choi, S. Kang, Y. Kwon, I. Kim, J. Yoo, K. Kim, H. Lee

SECTION D Westin Boston Waterfront Douglass

Membrane Protein Simulations & Free Energy Approaches Intrinsic Disordered Protein & Other Simulations N. K. Banavali, W. Im, Y. L. Luo, Organizers S. Yang, H. Yu, Presiding 8:30 COMP 182. Role of pre-structuring in the molecular recognition of intrinsic disordered proteins regions. E. Fadda 8:55 COMP 183. Multi-technique modeling of structural disorder in estrogen receptor. S. Yang 9:20 COMP 184. Liquid structure of elastin. S. Rauscher, R. Pomès 9:45 Intermission. 10:05 COMP 185. Molecular quantum-dot cellular automata based on diboryl monoradical anions. X. Wang, V. Inakollu, H. Yu 10:30 COMP 186. Critical role of histone tail entropy in nucleosome unwinding. B. Zhang

SECTION E Westin Boston Waterfront Paine

Advancing RNA Designs C. Hajdin, N. Renaud, A. M. Wassermann, Organizers, Presiding 8:30 Introductory Remarks. 8:45 COMP 187. Rational, structure-based design of mRNA therapeutics. M.L. Hall 9:15 COMP 188. RNA structure centric machine learning of primary microRNA biogenesis. G.M. Rice, V. Shivashankar, E. Ma, J.L. Baryza, M. Buehler, R. Nutiu 9:45 COMP 189. Framework for how to target RNA with small molecules. C. Hajdin, K.M. Weeks 10:15 Intermission. 10:30 COMP 190. RNA as a small molecule drug target: Discovery of selective RNA-binding small molecules by highthroughput affinity-selection mass spectrometry. N. Rizvi 11:00 COMP 191. Computational high-throughput screening of modified RNA interactions with proteins. A. Orr, J. Camilo Gonzalez, L.M. Contreras, P. Tamamis 11:30 COMP 192. Computational approaches to targeting RNA with small molecules. D. Chin

DARPA Make-It Program: Automating Small Molecule Route Design, Optimization & Synthesis Flow Synthesis Sponsored by COMSCI, Cosponsored by ANYL, COMP, MEDI and ORGN

GSSPC: Frontiers in Computational Chemistry: Bridging the Gap Between Theory & Experiment Sponsored by CHED, Cosponsored by COMP

Materials in Extreme Environments Superhard Materials & Materials Under the Influence of Radiation, Field & Temperature Sponsored by PHYS, Cosponsored by COMP

TUESDAY AFTERNOON SECTION A Westin Boston Waterfront Adams

Computational Photocatalysis: Modeling of Photophysics & Photochemistry at Interfaces Cosponsored by PHYS Y. Han, S. W. Kilina, Organizers D. Kilin, Organizer, Presiding E. Hobbie, Presiding 1:30 COMP 193. Highly luminescent lead halide perovskite nanocrystals: Synthesis, photophysics and photochemistry. M. Kovalenko 2:00 COMP 194. Role of surface passivation and doping on photoluminescence quantum yield in lead halide perovskite quantum dots. A. Forde, T.M. Inerbaev, D. Kilin 2:15 COMP 195. Efficient photoluminescence from colloidal nanocrystals: Role of the interface for silicon and perovskite. E. Hobbie 2:45 COMP 196. Charge separation and charge carrier trapping of lead iodide perovskites. K. Yamash*ta

SECTION B Westin Boston Waterfront Faneuil

Recent Advances in DFT & TDDFT: Theory & Simulations N. Govind, C. Huang, K. Lopata, Organizers C. Isborn, Presiding 1:30 COMP 201. Real-time TDDFT combined with nonadiabatic molecular dynamics: Theory and applications to photovoltaic nanoscale materials. O.V. Prezhdo 2:00 COMP 202. Modeling absorption spectra of organic chromophores with TD-DFT: A benchmarking study with Max A. Weaver Dye Library. E. Jakubikova 2:30 COMP 203. Quasi-diabatic representation for nonadiabatic dynamics propagation. P. Huo 2:45 COMP 204. Theoretical investigations of the ultrafast correlated electronic and nuclear dynamics in intense x-ray pulses: From atoms to clusters. P. Ho 3:15 Intermission. 3:30 COMP 205. Some recent developments to accelerate and better characterize electronic excitation spectra from real-time time-dependent electronic structure theories. S. Ghosh, J.C. Asher, D.N. Bowman, L. Gagliardi, C.J. Cramer, N. Govind 4:00 COMP 206. Solving challenging TDDFT problems with a well-tempered adaptive method. J.M. Kasper, D.B. Williams-Young, E. Vecharynski, C. Yang, X. Li 4:15 COMP 207. Ensemble optimized time-dependent density functional theory. S.M. Parker, S. Roy, F.U. Furche 4:45 COMP 208. Real-time density functional tight binding: A new computational approach for probing plasmonic properties of large material systems. B.M. Wong, N.V. Ilawe, M.B. Oviedo

SECTION C Westin Boston Waterfront Alcott

Revolutionizing Chemistry with Artificial Intelligence Precision Medicine P. Das, R. K. Das, O. Isayev, Organizers, Presiding 1:30 COMP 209. Molecular biology meets big data: Winning the game of telephone. B. Hayete, B. Church 1:55 COMP 210. Enabling scalable machine learning for precision medicine. S. Guija 2:15 COMP 211. Predicting three-dimensional genome organization with chromatin states. B. Zhang 2:35 COMP 212. From the materials genome to precision medicine initiative. Can machine learning do it all? A. Furmanchuk 2:55 Intermission. 3:10 COMP 213. Translating metabolomics into therapeutics insights using artificial intelligence. L. Pirhaji 3:30 COMP 214. Bayesian causal modeling of multimodal data towards precision medicine. R.K. Das 3:50 COMP 215. Ensemble computational intelligence reveals novel molecular signatures of cancer biology and pan-cancer survival. N.A. Cilfone 4:10 COMP 216. Novel applications of quantum machine learning algorithms in precision medicine. O. Gamel

SECTION D Westin Boston Waterfront Douglass

Membrane Protein Simulations & Free Energy Approaches Methods W. Im, Y. L. Luo, Organizers N. K. Banavali, Organizer, Presiding G. Lamoureux, Presiding 1:30 COMP 217. Modeling and prediction of protein structure using deep neural networks. G. Lamoureux 1:55 COMP 218. Unified framework for umbrella sampling with application to insulin dimerization. A. Dinner

2:20 COMP 219. Simulating electron dynamics in polarizable environments. X. Wu, J. Teuler, F. Cailliez, C. Clavaguéra, A. Alvarez-Ibarra, D.R. Salahub, A. de la Lande 2:45 COMP 220. Leveraging structural and chemical knowledge to clarify the role of dynamics in macromolecular function. N.K. Banavali 3:10 Intermission. 3:30 COMP 221. One-dimension free energy perturbation/ Hamiltonian replica exchange molecular dynamics (FEP/HREMD) method with unbiased thermodynamic axis. W. Jiang 3:55 COMP 222. Multidimensional free energy landscape governing structural transitions of a neurotransmitter transporter in membrane. E. Tajkhorshid 4:20 COMP 223. Proton transport in biomolecular systems: A remarkably complex and collective phenomenon. G.A. Voth 4:45 COMP 224. CHARMM-GUI multicomponent assembler. W. Im

SECTION E Westin Boston Waterfront Paine

Drug Design Macrocycle & Ligand-Based Approaches Y. Tseng, Organizer M. R. Landon, Organizer, Presiding 1:30 COMP 225. Conformational analysis and visualisation of macrocycles in solution and the solid-state. P.C. Hawkins, S. Wlodek, K. Boda 1:55 COMP 226. Rapid and accessible in silico macrocycle design. R. Scoffin, M. Bauer, M.D. Mackey, S. Sciammetta, G. Tedesco 2:20 COMP 227. Simple metrics to identify opportunities for macrocyclization of small-molecule ligands. S. Sekharan, R.A. Sykes, P. Sanschagrin, M.D. Cummings 2:45 Intermission. 3:00 COMP 228. Characterizing the unbound state of drug-like compounds: Implications for molecular recognition. N. Foloppe, I. Chen 3:25 Discussion.

DARPA Make-It Program: Automating Small Molecule Route Design, Optimization & Synthesis Reaction Planning & Screening Sponsored by COMSCI, Cosponsored by ANYL, COMP, MEDI and ORGN

GSSPC: Frontiers in Computational Chemistry: Bridging the Gap Between Theory & Experiment Sponsored by CHED, Cosponsored by COMP

TUESDAY EVENING SECTION A Boston Convention & Exhibition Center Exhibit Hall B1

Chemical Computing Group Graduate Student Travel Awards K. N. Kirschner, C. L. Simmerling, Organizers 6:00 – 8:00 COMP 229. Drawing catalytic power from charge separation: Stereoelectronic and zwitterionic assistance in the Au(I)-catalyzed Bergman cyclization. G. Gomes, I. Alabugin COMP 230. Density localization and scaling relations in the solid state: Understanding divergent behavior for hybrids and DFT+U. Q. Zhao, H.J. Kulik COMP 231. Nature of oxygen-adsorbate chemical bonding on transition metal oxides. V. Fung, Z. Wu, D. Jiang COMP 232. Unravel protein allostery mechanism. H. Zhou, P. Tao COMP 233. Importance of electrostatic effects in the stereoselectivity of NHC-catalyzed kinetic resolutions. R. Maji, S.E. Wheeler

SECTION A Boston Convention & Exhibition Center Exhibit Hall B1

NVIDIA GPU Award M. E. Berger, C. L. Simmerling, Organizers 6:00 – 8:00 COMP 234. Overcoming the AO-to-MO bottleneck: GPUaccelerated calculation of molecular integrals using controlvariate stratified sampling Monte Carlo method using CUDA thrust. P. McLaughlin, M. Bayne, A. Chakraborty

COMP 235. Exploiting graphical processing units (GPUs) to enable large-scale quantum chemistry of solvated molecules with polarizable continuum models. F. Liu, D.M. Sanchez, H.J. Kulik, T.J. Martinez COMP 236. Accelerating consumable HPC. A. Harrison, M.A. Johnston COMP 237. Implementation of GPU-accelerated partial nudged elastic band method into Amber for finding minimum free energy pathways in biomolecular systems. D. Ghoreishi, D.S. Cerutti, A.E. Roitberg COMP 238. Development of a tandem GPU-to-GPU approach for accelerating conformational sampling of excited states properties using stochastic linear-response TDDFT. J. Scher, A. Chakraborty

SECTION A Boston Convention & Exhibition Center Exhibit Hall B1

OpenEye Outstanding Junior Faculty Award C. L. Simmerling, Organizer 6:00 – 8:00 COMP 239. Methodologies for enhanced unbiased sampling of free energy landscapes of proteins. D. Shukla COMP 240. Photochemistry in complex media: Insights from excited-state density-functional tight-binding. T. Kowalczyk COMP 241. Origins of the mechanochemical coupling of peptide bond formation to protein synthesis. B. Fritch, A. Kosolapov, P. Hudson, D. Nissley, H.L. Woodco*ck, C. Deutsch, E. O’Brien COMP 242. Computational design of superhydrophobic surfaces. S. Fialoke, A. Patel

SECTION A Boston Convention & Exhibition Center Exhibit Hall B1

Poster Session H. L. Woodco*ck, Organizer 6:00 – 8:00 COMP 243. Novel and rigorous free energy perturbation approach to estimate binding affinity of ligands with multiple protonation states. C. de Oliveira, H. Yu, W. Chen, R. Abel, L. Wang COMP 244. Alchemical response parameters from an analytical model of molecular binding. E. Gallicchio, D. Kilburg COMP 245. SMARTS comparison and the analysis of HTS filter sets. R. Schmidt, E.S. Ehmki, M. Rarey COMP 246. Binding affinities between small molecules and rigid proteins. D.D. Minh COMP 247. Probabilistic framework for constructing temporal relations in replica exchange molecular trajectories using machine learning and graph theory. A. Chattopadhyay, U. Priyakumar COMP 248. GPU-accelerated coarse-grained simulations of protein-protein docking with flexible linkers. A. Pinska, R.B. Best, M. Kuttel COMP 249. Enriched optimization of molecular properties under constraints: An electrochromic example. C.B. Rinderspacher, J.M. Elward COMP 250. Replica exchange Gaussian accelerated molecular dynamics: Improved enhanced sampling and free energy calculation. Y.M. Huang, J. McCammon, Y. Miao COMP 251. Prediction of molecular properties in condensed phase by means of first principle molecular simulation with well-balanced accuracy and efficiency: Application of effective fragment potential version 2 - molecular dynamics (EFP2-MD). H. Mori, N. Kuroki COMP 252. Structural stability of chignolin by using relaxation mode analysis and RISM theory. A. Mitsutake, Y. Maruyama COMP 253. Exploiting the role of membrane anchoring on the peculiar biological behaviour of multi-drug resistant enzyme New Delhi metallo-β-lactamase 1. A. Prunotto, G. Bahr, L. Gonzalez, A.J. Vila, M. Dal Peraro COMP 254. Modelling the structure and dynamics of bacterial cellulose synthase-like proteins to identify motifs critical for their specific functions. D. Oehme, M. Downton, A. Bacic, M. Doblin COMP 255. Molecular dynamics study of the role of zinc ions in Clavanin A interaction with E. coli membrane. S.S. Duay, A.M. Angeles Boza, E.R. May COMP 256. Microscopic characterization and computational titration of GRP1-PH domain bound to anionic phospholipids lipids. S. Pant, B. Radak, E. Tajkhorshid COMP 257. Microdomain registration in PAA-PBD diblockcopolymers investigated with simulations. P.B. Moore, N. Chen

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TECHNICAL PROGRAM

3:15 Intermission. 3:30 COMP 197. Modeling materials and interfaces in metal-halide perovskite solar cells. F. De Angelis 4:00 COMP 198. Advances and promises of layered halide hybrid perovskites. S. Tretiak 4:30 COMP 199. Photoinduced phase segregation in mixed halide perovskites and its impact on photovoltaic performance. P.V. Kamat, S.J. Yoon, G. Balakrishna 5:00 COMP 200. Coupling of electronic transport states with lattice fluctuations in organo-halide perovskites. J.B. Asbury

TECHNICAL PROGRAM

COMP COMP 258. NAMD’s enhanced sampling techniques applied to QM/MM simulations. M. Cardoso dos Reis Melo, R.C. Bernardi, Z. Luthey-Schulten COMP 259. Understanding unusual noncovalent interactions in proteins through large-scale electronic structure. H. Qi, H.J. Kulik COMP 260. Elucidation of the complex hydrogen bonding in vanadium chloroperoxidase using the QM/MM and atoms-in-molecules approaches. G. Anderson, R.N. Behera, R. Gomatam COMP 261. Enumerating the inorganic universe of small complexes for machine learning. S.O. Gugler, J. Janet, H.J. Kulik COMP 262. Effect of structure on quasiparticle gap in semiconductor quantum dots. S. Ali, J. Scher, A. Chakraborty COMP 263. Relativistic quantum chemistry in an adaptive multiwavelet basis. J. Anderson, R.J. Harrison COMP 264. Computation of vibronic coupling assisted electron transfer rates. S. Chaudhuri, S. Hedström, V.S. Batista COMP 265. Protospacer adjacent motif-induced allostery activates CRISPR-Cas9. G. Palermo, C. Gravina Ricci, A. Fernando, I. Rivalta, V.S. Batista, M. Jinek, J. McCammon COMP 266. Construction of force field of acetic acid system. J. Ma, B. Wang, J. Zhu COMP 267. Evaluation of butyrylcholinesterase inhibitors through computational binding mode analysis. P. Bremer, W. Alvarado, E.J. Sorin COMP 268. Predicting surrogate fuel properties using molecular dynamics. B.H. Morrow, S. Maskey, P.T. Mikulski, M. Knippenbirg, D.J. Luning Prak, J.A. Harrison COMP 269. Single point mutations in acid-β-glucosidase allosterically alter enzyme acitivity in Gaucher disease. M.G. Souffrant, X. Yao, A.D. Fisher, D. Hamelberg COMP 270. Upgrades to FEMVib: A finite element method ab initio vibrational analysis program. H. Pearce COMP 271. Application of clustering of ligand diffusion coefficient pairs (CoLD-CoP) in detecting cooperative binding and hence in fragment-based drug discovery. S. Patnala COMP 272. Exploration and modeling of electron traps in interphase regions of functionalized polymer nanocomposites. T. Ratcliff, C.M. Breneman COMP 273. QwikMD: Gateway for easy simulation with VMD and NAMD. J. Ribeiro, R.C. Bernardi, T. Rudack, K. Schulten, E. Tajkhorshid COMP 274. Growing gold nanoclusters in MOFs for catalysis. S. Jensen, T. Thonhouser COMP 275. Charge transfer through incremental full configuration interaction. H. Kim, P.M. Zimmerman COMP 276. Modeling photoinduced chemical reactions with time-dependent excited-state molecular dynamics. Y. Han, D. Kilin COMP 277. Facet-dependent photocatalytic decomposition of N2O on the anatase TiO2: A DFT study. L. Wang, W. Song, J. Liu, Z. Zhao COMP 278. Enhanced photoluminescence quantum yield in lead halide perovskite quantum dots through doping with manganese ion: A computational study. A. Forde, D. Kilin COMP 279. Spin-resolved and non-collinear charge dynamics in functionalized semiconductors. T. Inerbaev, S. Jensen, Y. Han, D. Kilin COMP 280. Ab initio study of electron dynamics with explicit treatment of momentum dispersion on Si nanowires oriented in different directions. F. Fatima, D. Vogel, T. Inerbaev, N. Oncel, D. Kilin COMP 281. Influence of chemical composition on relaxation rates of electron/hole pair in (PbX)16/(CdX)52, (X = S, Se) core/ shell quantum dots. L. Lystrom, S.W. Kilina COMP 282. Photochemistry via strings intersecting with cones. C. Aldaz, P.M. Zimmerman COMP 283. Thermal stability enhancement of methyl ammonium lead iodide perovskites with formic acid adsorption: An ultra-high vacuum based experimental study. M.T. Nayakasinghe, Y. Han, D. Kilin, U. Burghaus COMP 284. Effects of charge and interactions with DNA bases on the structure and optical response of dimers of silver clusters. M.A. Jabed, S. Kilina COMP 285. Chemical defects in (10,5) single-walled carbon nanotubes: Position vs. polarity of covalently attached groups. B.M. Weight, B. Gifford, S. Tretiak, S. Kilina COMP 286. Charge transfer between a lead halide perovskite and organic dyes. D. Ramirez, D. Kilin COMP 287. Effects of electron withdrawing/donating groups at diimine ligands on absorption spectra of iridium (III) complexes. D. Ramirez, M.A. Jabed, W. Sun, S. Kilina COMP 288. Electron dynamics at lead halide perovskite/ spiro-OMeTAD interface. L. Johnson, A. Forde, D. Kilin

148

COMP 289. Predictive descriptions of photo-induced electron transfer or transport through molecular-resolved interfaces. B.D. Dunietz COMP 290. Computer-aided rational design of nearinfrared absorbing dye molecule. A. Narsaria, J. Poater, A. Ehlers, C. Guerra, K. Lammertsma, F. Bickelhaupt COMP 291. Initial decomposition reactions of metal pentazolate hydrates from quantum mechanics simulations. D. Guo, Z. Luo, S. Morozov, M. Cheng, Q. An COMP 292. Triplet exciton transfer across the interface of colloidal Nano-structure and organic molecules. T. Goldzak, T.A. Van Voorhis, N. Geva COMP 293. Scoring function to predict permeability of compounds through bacterial porins. M. Ceccarelli, S. Acosta-Gutierrez, I. Bodrenko COMP 294. Advantages of deep sea fishing compared to fishing in a pond. Y. Moroz, C. Lemmen, O. Savych, C. Detering, F. Klingler COMP 295. Robust ensemble docking with WScore. S. Jerome, R. Murphy, M. Repasky, R.A. Friesner COMP 296. Binding mode determination in fragment based drug discovery using X-ray crystallographic data coupled with QM/MM based refinement: Further applications of XModeScore. O. Borbulevych, L. Westerhoff COMP 297. Probabilistic protonation of protein-ligand complexes. M. Verdonk COMP 298. Enhancing feature learning for chemical reaction prediction. J. Baylon COMP 299. Deep neural networks and molecular dynamics. R. Car COMP 300. Neural networks approach to predict the packing density of 1.5 million organic molecules. M. Afzal, A. Sonpal, M. Haghighatlari, J. Hachmann COMP 301. Phoenics: A Bayesian algorithm for optimization and inverse design. F. Häse, L. Roch, C. Kreisbeck, A. AspuruGuzik COMP 302. ChemOS: Paving the way for autonomous experimentation. L. Roch, F. Häse, C. Kreisbeck, T. TamayoMendoza, L. Yunker, J. Hein, A. Aspuru-Guzik COMP 303. Deep learning isozyme-specific P450 metabolism. N. Dang, S. Swamidass COMP 304. Combining structural and chemical feature predictors for fast and robust prediction of CO2 adsorption by metal organic frameworks using a machine learning approach. M. Pardakhti, R. Srivastava COMP 305. Population-based de novo molecule generation using grammatical evolution. N. Yoshikawa, K. Terayama, T. Honma, K. Oono, K. Tsuda COMP 306. Predicting the outcomes of Diels-Alder reactions via machine learning vs. quantum methods. E. Gajewska, W. Beker, T. Badowski, B. Grzybowski COMP 307. Accelerating inorganic discovery with machine learning and automation. H.J. Kulik COMP 308. Towards exact molecular dynamics simulations with machine-learned force fields. S. Chmiela, H. Sauceda, K. Müller, A. Tkatchenko COMP 309. General machine learning based predictive method for energy-geometry dependency of molecules. E. Moharreri, M. Pardakhti, R. Srivastava, S.L. Suib COMP 310. Supramolecular peptide amphiphile-polymeric hybrid hydrogels for photo-actuation: Modeling and simulation. A. Iscen, G.C. Schatz COMP 311. Machine learning based atom parameterization program for molecular mechanics force fields. M. Charles, C.L. Brooks COMP 312. Investigating the role of disulfide bonds in stabilizing the interactions between DNA and the type IV pilin ComP using molecular simulation. M.N. Fairfield, K. Patel, J.L. Baker COMP 313. Computational assessment of the molecular structure of pyridyl-amine Pt(II) complexes. H. Araji, A. Al Dalakta, A. Younis, B. Bassil, R. Taleb, B. Wex COMP 314. Computational NMR characterization of chiral Au25(SMeBu)180. S. Gelpi Dominguez, J. Gascon COMP 315. Rapid and accurate binding affinity prediction for GPCR ligands through AMBER GPU accelerated thermodynamic integration. Y. Hu, I. Mügge COMP 316. Bound to work better: A guide to use binding kinetics to design more effective drugs for Alzheimer’s disease. F. Bai, H. Jiang, J.N. Onuchic COMP 317. Improved aromaticity handling and ring perception in RMG to model PAH formation. M. Liu, W.H. Green COMP 318. Backbone-breaking alkyl shifts: Anomaly, coincidence, or pattern in sesquiterpene biosynthesis? N. Guan, D.J. Tantillo, C. Hamann

COMP 319. Dynamics of the gate of DFHBI and ions in riboswitch SPINACH. N. Miyash*ta, N. Onishi, M. Furue, T. Shiraki, Y. Yonezawa COMP 320. Tuning the properties of iron oxide nanomagnetic clusters using first principles based density functional theory. D.L. Lalsare COMP 321. Understanding free energy methodologies, force fields and simulation parameters amongst major software packages used in drug discovery. K. Armacost COMP 322. Theoretical investigation of the tritium diffusion pathways in γ-LiAlO2 and Li2ZrO3 pellets used in TPBAR. H.P. Paudel, Y. Duan COMP 323. Development of the frequency maps for nucleic acids. Y. Jiang, L. Wang COMP 324. Efficient kinetic model for studying OLED roll-off. A.R. McIsaac, V. Vaissier, N. Geva, H. Weir, T.A. Van Voorhis COMP 325. Software for conformational searching at IDEAYA Biosciences, Inc. A.S. Bayden COMP 326. Computational studies of LiPF6 salt dissociation in organosilicon nitrile electrolytes. J. Zhu, L.J. Lyons, H.K. Hernandez-Soto COMP 327. Simulating the elongation of type IV pili under force using the MARTINI coarse-grained force field. B.A. Bogin, R. Goncalves, J.L. Baker COMP 328. Identification of an insect IPP transporter using computational methods. S.E. Sen, C. Reices, D.A. Schooley COMP 329. Computational modeling of the outward-facing form and the occluded intermediate of a heme importer with bound nucleotides. K. Tamura, H. Sugimoto, Y. Shiro, Y. Sugita COMP 330. High precision free energy database of glycosaminoglycan carbohydrate disaccharides. D. Martin, E.K. Whitmore, O. Guvench COMP 331. Computational design of organocatalysts with preorganized catalytic machinery. Z. Tanyeri, N. CelebiOlcum COMP 332. Universal methodology to predict solubility via molecular dynamics simulations of naphthalene. L. Li, T. Totton, D. Frenkel COMP 333. Prediction of Stark shift in ketosteriod isomerase via molecular dynamics and quantum mechanic calculations. A.M. Richard, J. Gascon COMP 334. First principle study of drug adsorption to the MnO2 surface. G. Dey COMP 335. Band gap and edge engineering of perovskite niobate and tantalate photocatalysts. G. McClarin, R.F. Berger COMP 336. In silico study of the allosteric effect of sodium ion on dopamine receptor D3R. Y. Yeh, H. Hsu COMP 337. Effect of omitting a protecting group at the nitrogen center of a pyrrolidine on the energy profile of the reaction. T. Stahl, M. Milletti, H.A. Lindsay COMP 338. Employing machine learning models for high throughput screening of single-site catalyst energetics. A. Nandy, J. Janet, C. Duan, H.J. Kulik COMP 339. Computational methodologies for studying the binding affinities of protein-ligand complexes by combining hydration and dynamical effects. R. Pal, S. Ramsey, P. Cordone, L.B. Wickstrom, T.P. Kurtzman, W. Harding, E. Gallicchio COMP 340. Exploiting the interplay between exciton transport, energetic disorder and heterogeneous decay. A. Dodin, A. Willard COMP 341. Computational studies of regulators of G-proteins signaling small-molecule inhibitors. M. Mohammadi, H. Vashisth COMP 342. Exploration of the Humanin-β-amyloid interaction using a combined molecular dynamics and quantum approach. P. Guttikonda, D. Esckilsen, B.W. Iwaniec, C. Bilderback, A. Marsh, N. Eadeh, M. Milletti, D. HeylClegg, H. Evans COMP 343. Selectivity for agonists and blockers of dockingbased virtual screening targeting hom*ology models of the β2-adrenergic receptor: Impact of the template. A. Cohen, A. Danfora, M. Biederman, S. Costanzi COMP 344. Photoinduced electron transfer in cryptochromes: Multi-level approach for robust analysis of charge transfer in biomolecules. R. Tazhigulov, K.B. Bravaya COMP 345. Deep neural networks for recognition and transcription of chemical structure images. J. Staker, K. Marshall, R. Abel, C. McQuaw COMP 346. DFT a la carte – many-body potentials employing machine learning techniques for water. T. Nguyen, A.W. Goetz, F. Paesani

COMP 375. Characterization of cellulose digesting proteins found in shipworm symbionts. S. Watson, P.J. Beuning, D.L. Distel, M.J. Ondrechen COMP 376. RepEx: A scalable, flexible, extensible replica exchange framework. S. Mushnoori, V. Balasubramanian, S. Jha, M. Dutt COMP 377. Molecular dynamics and many-body perturbation theory analysis of defects in monolayer germanium monochalcogenides. A. Cohen, K. Lewis, M. Alaghemandi COMP 378. Three dimensional quantitative structure activity relationship studies of anti-tubercular agents as a multi-target inhibitors. K.P. Thaker COMP 379. Predicting protein-protein binding sites and epitope mapping. N. Thorsteinson, A. Ajamian COMP 380. Protocol for the analysis of vibrational circular dichroism spectra of small molecules using Gaussian and MOE. A. Ajamian COMP 381. Cyclic disulfide compounds stabilize SOD1 dimers. J. Winters, D. McDonald, E. Taft, J.N. Agar, R. Manetsch, M.J. Ondrechen COMP 382. Coarse-grained simulations of aqueous thermoresponsive polyethers. B. Raubenolt, G. Gyawali, W. Tang, K.S. Wong, S.W. Rick COMP 383. In silico, in vitro, in vivo correlation for CNS penetration. G. Berellini, G.R. Bhisetti COMP 384. Ab initio studies of magnesium hydroxide nanoparticles as potential catalysts for thermal decomposition of acetic acid. D.C. Perera, J.C. Rasaiah, J.W. Hewage COMP 385. Identification of lead compounds of CXCR6 using in silico approaches. I. Salama, S. Sirimulla COMP 386. Refinement of protocols for de novo design and evolution-based refinement for DOCK: Application to fatty acid binding protein. L.E. Prentis, Y. Zhou, R.C. Rizzo COMP 387. Atomically resolved simulation studies of RNA/ small-molecule interactions. L. Levintov, H. Vashisth COMP 388. Molecular dynamics simulations of functional arylamide foldamers: Water transport and inter-conversion mechanism of cyclic-arylamide. R. Delia, V. Pophristic, Z. Liu COMP 389. Effects of deprotonation of thiol ligands on optical spectra of CdS quantum dots in various solvents. A. Roberts, L. Lystrom, S.W. Kilina COMP 390. In silico techniques used in the drug discovery of corticotropin-releasing factor receptor 2 (CRHR2). C. Govea, S. Sirimulla COMP 391. Binuclear transition metal catalysts for carbon dioxide activation. A. Dinescu COMP 392. Study of interactions in the early self-assembly of cyclic phenylalanine-tyrosine dipeptides. P. Macha, M. Vasudev, M. Mayes COMP 393. Computational studies of the role of distal residues in human phosphoglucose isomerase catalysis. S.C. Begay, P.J. Beuning, M.J. Ondrechen COMP 394. Binding of Na+, K+, Mg2+ and Ca2+ with phenylalanine dipeptide: Computational study. E.A. Alghamdi, T. Dinadayalane COMP 395. Aromatic oligoamide foldamer for proteinprotein interactions: A computational investigation. O. Vazquez, S. Makeneni, V. Pophristic, Z. Liu COMP 396. Influence of pore structure on transport in lyotropic liquid crystal membranes. B. Coscia, M.R. Shirts COMP 397. OpenDMPK: An open toolkit for the prediction of pharmaco*kinetic properties. R. Avila COMP 398. Stickers and spacers framework for phase transitions of multivalent intrinsically disordered proteins. J. Choi, R.V. Pappu COMP 399. Flexible fitting simulations of P-type ATPases to low, medium and high resolution density maps. M. Kulik, T. Mori, Y. Sugita COMP 400. Composing structure-activity relationship in metal-organic frameworks: Applications to single-site heterogeneous catalytic hydrolysis of chemical warfare agents. M. Momeni, C.J. Cramer COMP 401. Legend of a perfect enzyme: Active site architecture and loop dynamics in triosephosphate isomerase. D. Petrovic, S.C. Kamerlin COMP 402. Development of non-adiabatic functionals in real-time TDDFT. L. Lacombe, N.T. Maitra COMP 403. Computational study of MOF-supported metal catalysts for ethylene dimerization. J. Ye COMP 404. Optimizing genetic manipulation of microbial organisms for production of multiple target chemical compounds. L. Whitmore, A. George, C.M. Hudson COMP 405. Probing mesophases and interfaces using Monte Carlo simulations. M.S. Minkara, J.I. Siepmann

COMP 406. Developing a free energy approach for predicting reversible covalent binding. Y.L. Luo COMP 407. Integrate structural information to study the kinetics of protein-protein interactions and protein complex assembly by multiscale modeling. Y. Wu COMP 408. Improved binding free energy calculations and enhanced sampling methods. D.D. Minh COMP 409. Advancing methodologies and software for quantum dynamics in materials. A.V. Akimov COMP 410. GNINA: Deep learning for molecular docking. D. Koes COMP 411. Deep learning enhanced quantum dynamics of excitation energy transfer in pigment-protein complexes. D. Kosenkov COMP 412. Development of multiscale simulation approaches for catalytic and regulatory mechanisms of protein tyrosine kinases. K. Nam COMP 413. FF18SB: Improving the accuracy of biomolecular simulation with a physics-based force field. C. Tian, A.N. Migues, Q. Wu, C.L. Simmerling COMP 414. Pressure-dependent flexibility mechanisms of ambient and deep-sea bacterial dihydrofolate reductases via extended timescale GPU-accelerated simulations. R. Penhallurick, Q. Huang, T. Ichiye COMP 415. Elucidating the base interrogation and extrusion mechanisms of the archetypal DNA glycosylase TDG. T.W. Dodd, I.N. Ivanov COMP 416. Interfacial behaviors of HEHEHP ligand within biphasic solvents. A.T. Ta, G.A. Hegde, B.D. Etz, A.G. Baldwin, Y. Yang, J.C. Shafer, M.P. Jensen, C.M. Maupin, S. Vyas COMP 417. Computational chemistry investigation of aromatic foldamers: Folding propensity, molecular encapsulation and handedness inversion. P. Reagan, V. Pophristic, Z. Liu COMP 418. Ab initio molecular dynamics and lattice dynamics based force field for modeling hexagonal boron nitride in mechanical and interfacial applications. A. Govind Rajan, M. Strano, D. Blankschtein COMP 419. In silico study on the activation mechanism of dopamine receptor D3R bound G protein for downstream signal transmission. Y. Li, H. Hsu COMP 420. Coupling real-time time-dependent CASSCF with polarizable force field. H. Liu, X. Li COMP 421. Efficient constant pH and redox potential molecular dynamics with multidimensional replica exchange simulations. V.D. Cruzeiro, A.E. Roitberg COMP 422. Free energy landscape with experiment directed simulations and enhanced sampling. D.B. Amirkulova COMP 423. Automated chemical perception for force field parameterization. C.C. Bannan, C.I. Bayly, M.K. Gilson, L. Wang, M.R. Shirts, J.D. Chodera, D.L. Mobley COMP 424. Constructing method of virtual compound libraries with enhanced properties. N. Yasuo, N. Arai, S. Yoshikawa, R. Yoshino, M. Sekijima COMP 425. Exploration of 1,5-halogen atom transfer reaction through DFT modeling. C.M. Saunders, F. Gagosz, D. Tantillo COMP 426. Hybrid peptide materials: Linking molecular architecture to nanostructure characteristics. S. Mushnoori, K. Schmidt, V. Nanda, M. Dutt COMP 427. Large-scale exploration of chemical space to identify exceptional molecular targets for optical applications. M. Afzal, J. Hachmann, C. Cheng COMP 428. Role of electric field and salt in electrical programming of chitosan-based hydrogels. C. Tsai, J. Shen COMP 429. Effects of 2D confinement and Pb-halide bridging molecules on the excited state relaxation of PbSe nanoplatelets (NPL). M.A. Jabed, S. Kilina COMP 430. Challenge for predicting physicochemical properties of supercritical fluids and compressed liquids: An ab initio Effective Fragment Potential ver.2 – MD simulation study. N. Kuroki, H. Mori COMP 431. Molecular dynamics simulations reveal structural details on the proofreading mechanism of DNA polymerase III. T.W. Dodd, I.N. Ivanov COMP 432. Frags2Drugs: A 3D fragment network to discover new compounds. C. Bournez, P. Krezel, J. Gally, S. Aci-Sèche, P. Bonnet COMP 433. Fragment covalent docking (FCD) approach: An innovative in silico tools for the prediction of peptide-protein interaction. J. Diharce, M. Cueto, V. Aucagne, M. Beltramo, P. Bonnet COMP 434. Designing cyclic-peptide inhibitors of proteinprotein interactions by mimicking hot loops. J. Miao, D. Slough, A. Cummings, F. Fonseca, J. Kritzer, Y. Lin

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TECHNICAL PROGRAM

COMP 347. Accelerating inorganic discovery with metacalculation filtering via a decision classifier. C. Duan, J. Janet, A. Nandy, H.J. Kulik COMP 348. MetaTox - freely available online resource for the toxicity estimation and evaluation of the metabolic pathways. A. Rudik, A. Dmitriev, D. Druzhilovskiy, V. Bezhentsev, A. Lagunin, D. Filimonov, V. Poroikov COMP 349. Assessment of quantum mechanical and molecular mechanical methods on free energy decomposition of small molecule complexation. M. Wang, Z. Yang, H.J. Kulik COMP 350. Metal-ligand bond strengths of 5D metal complexes. C. Moulder, T.R. Cundari COMP 351. Catalytically important remote residues of glycinamide ribonucleotide transformylase. L. Ngu, J. Winters, D. Ray, M. Brady, A. Gaba, L. Makowski, G.A. O’Doherty, M. Ondrechen, P.J. Beuning COMP 352. Theoretical insights into the mechanisms of aggregation-induced emission in a cyanostilbene derivative. N. Yamamoto COMP 353. Toxicity of reactive xenobiotics evaluated with glutathione nucleophilicity. A. Cavalleri, R. Leth, P. Hunt, M.D. Segall COMP 354. Computational exploration of double nitrogen doping of 1,2-, 1,3- and 1,4- substitutions in multiple rings of graphene. N. Alzaaqi, T. Dinadayalane COMP 355. σ-SCF and HP σ-SCF: A unified approach to both ground and excited mean-field electronic states. H. Ye, M. Welborn, N. Ricke, T.A. Van Voorhis COMP 356. Computational prediction and functional annotation of enzymes in the haloacid dehalogenase superfamily. L.A. Ruffner, P.J. Beuning, M.J. Ondrechen COMP 357. Generation and selection of protein structures for ensemble docking. S. Schneider COMP 358. Refinement of interaction parameters for a poly(ethylene glycol) coarse-grained model in protein-polymer conjugates. F. Ramezanghorbani, P. Lin, C.M. Colina COMP 359. DFT study on binding of histidine and proline with graphene in gas and aqueous phases. D.A. Daggag, T. Dorlus, J. Lazare, T. Dinadayalane COMP 360. Molecular dynamics simulations of multidrug efflux transport complex AcrAB-TolC embedded in lipid bilayers. K. Shinoda, H. Fujitani COMP 361. Functional assignment of Structural Genomics proteins through computed chemical properties, graph representation of active sites, and biochemical validation. C.L. Mills, R. Garg, J. Lee, R. Parasuram, L. Tian, A. Suciu, G. Cooperman, P. Beuning, M. Ondrechen COMP 362. Molecular dynamics of R-spondin 1: Conformation and druggability analysis. R.V. Chikhale, K.K. Burusco-Goni, A. Atzori, R.A. Bryce COMP 363. Deciphering kinase SAR using electrostatics. S. Sciammetta, R. Scoffin, T. Cheeseright, M.D. Mackey, G. Tedesco COMP 364. Network of inhibitor diffusion pathways in hydrogenase enzymes. Y. Liu, M. Mohammadi, H. Vashisth COMP 365. Effect of halogen bond interactions on crystal packing using Hirshfeld surface analysis. K. Liu, W.T. Pennington, T.W. Hanks COMP 366. In silico fragment screening of the human serotonin transporter. M. Wasko, A. Ferreira, P. Witt-Enderby COMP 367. Hydrophobic effect in molecular dynamics simulations of water/ethanol mixtures using single-site multipole water. B. Liu, T. Ichiye COMP 368. Model size and chemical method impact upon accurate TiO2 surface property prediction. A.N. Carlson, E.S. Gawalt, J.D. Evanseck COMP 369. Identifying catalytic features of enzymes to enhance or alter their function. T.A. Coulther, I.J. Adam, P.J. Beuning, M.J. Ondrechen COMP 370. Orthogonal approach to computational biomolecular screening: Application to glycoprotein E of Zika virus. S. Telehany, M. Humby, D. McGee, A. Jacobs, R. Rizzo COMP 371. eMap: A web application for mapping and visualizing electron/hole transfer channels in proteins. J.R. Gayvert, R. Tazhigulov, K.B. Bravaya COMP 372. MechWolf: Programmatic framework for continuous-flow chemical process description, analysis, and automation. B.D. Lee, A.J. Mijalis, M. Ingram, B.L. Pentelute, N.L. Pohl COMP 373. Benchmarking density functional theory functional for simulating ground state and excited state properties for highly conjugated Ir(III) organometallic complexes. L. Lystrom, W. Sun, S.W. Kilina COMP 374. Computed infrared spectra of ions complexed with silica surfaces. W. Bosma, M. Ferguson, P.E. Schneider, E.E. Remsen

TECHNICAL PROGRAM

COMP COMP 435. Rational development of HBV capsid assembly modifiers aided by molecular dynamics. A. Pavlova, L. Bassit, B. Cox, M. Korablyov, C. Chipot, R.F. Schinazi, J. Gumbart COMP 436. Prediction of allosteric sites in GPCRs. A. Wakefield, D.R. Hall, J.S. Mason, S. Vajda, G.M. Keseru COMP 437. MD-assisted approach for designing multitarget ligands at A2AR and PDE10A that elevate cyclic AMP. L. Kalash, I. Winfield, D. Safitri, M. Bermudez, R.C. Glen, G. Ladds, A. Bender COMP 438. Computational study of proteins that bind beyond rule-of-five ligands. M. Egbert, A. Whitty, G.M. Keseru, S. Vajda

SECTION A Boston Convention & Exhibition Center Exhibit Hall B1

Wiley Computers in Chemistry Outstanding Postdoc Award Cosponsored by PROF M. Cavalleri, C. L. Simmerling, Organizers 6:00 – 8:00 COMP 439. Determining differential lignin solvation and structural changes within industrial solvents. J.V. Vermaas, G. Beckham, M.F. Crowley COMP 440. Multipole polarizabilities and dispersion coefficients for gas- and condensed-phase molecules and nanostructures. K. Lao, R.A. Distasio

WEDNESDAY MORNING SECTION A Westin Boston Waterfront Adams

Computational Photocatalysis: Modeling of Photophysics & Photochemistry at Interfaces Cosponsored by PHYS Y. Han, D. Kilin, S. W. Kilina, Organizers A. V. Akimov, M. Fernandez-Serra, Presiding 8:30 COMP 441. Calculating photocatalytic and photovoltaic properties. G.C. Schatz 9:10 COMP 442. Excited state dynamics of photoexcited charge carriers in halide perovskites: Time-domain Ab initio studies. O.V. Prezhdo 9:40 COMP 443. Evaluating photocatalytic active sites as function of polarization, level alignment and spontaneous dissociation of hydroxyl groups at perovskite oxide surfaces. M. Fernandez-Serra, M. Dawber 10:10 Intermission. 10:20 COMP 444. Recent developments of DFTB and its applications to photoinduced processes in nanostructures. T.E. Frauenheim 11:00 COMP 445. Multiscale characterization of carrier transport in photocatalytic materials: Application to bismuth vanadate BiVO4. M. Dupuis, V. Pasumarthi, T. Liu, C. Li 11:30 COMP 446. In situ vibration sum frequency generation spectroscopic probe of molecular structures and dynamics at electrochemical interfaces. T. Lian 12:00 COMP 447. Modeling nonadiabatic dynamics in energy materials. A.V. Akimov

SECTION B Westin Boston Waterfront Faneuil

Drug Design Novel Methods for Docking & Scoring M. R. Landon, Y. Tseng, Organizers B. Radak, Presiding 8:30 COMP 448. Fast, accurate X-ray density-driven ligand docking on the free energy surface using the MovableType method coupled with QM/MM X-ray refinement. L. Westerhoff, O. Borbulevych, Z. Zheng, N. Bansal, K.M. Merz 8:55 COMP 449. Improving reliability of ensemble docking through automated ensemble selection and protein reorganization energy estimation. O. Pierce, S.V. Jerome, M. Repasky 9:20 COMP 450. Challenges and opportunities for GPU-enabled shape screening of large scale, syntheticallytractable compound libraries. C. Von Bargen, S. Dixon, R. Annabhimoju, M. Repasky 9:45 COMP 451. Virtual screening, de novo design, and evolution-based searching with DOCK. R.C. Rizzo 10:10 Intermission. 10:25 COMP 452. Almost first principle prediction of biomembrane permeabilities with COSMOperm. A. Klamt, J. Schwöbel

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10:50 COMP 453. MolAlign: A powerful algorithm for aligning multiple small molecules. S.L. Chan 11:15 COMP 454. Automatic generation of high quality 3D matched molecular pairs. E.S. Ehmki, M. Rarey 11:40 COMP 455. Going beyond REALspace: Synthetic access to the chemical universe. C. Detering

SECTION C Westin Boston Waterfront Alcott

Revolutionizing Chemistry with Artificial Intelligence AI for Molecular Simulations P. Das, R. K. Das, O. Isayev, Organizers, Presiding 8:30 COMP 456. Matter simulation (R)evolution. A. Aspuru-Guzik 8:55 COMP 457. Recruiting machine learning methods for molecular simulations of proteins. D. Shukla 9:15 COMP 458. Unsupervised machine learning for datadriven representations of reactions. S. Sirumalla, R.H. West 9:30 COMP 459. Deep learning efficient representations of chemical concepts and quantum chemistry. M. Matlock, N.L. Dang, S. Swamidass 9:50 Intermission. 10:05 COMP 460. Fast, accurate, automated small molecule force field parameterization by machine learning. G. De Fabritiis 10:25 COMP 461. Bespoke parameterization of DPD force fields via Bayesian optimization. J.L. McDonagh, A. Shkurti, D. Bray, R.L. Anderson, M.A. Johnston, W.C. Swope, E. PyzerKnapp 10:45 COMP 462. Initial steps towards computergenerated rate constants: Rate constants for the reactions of isobutane with H and CH3 with shock tube experiments and the method of uncertainty minimization using polynomial chaos expansions (MUM-PCE). L.A. Mertens, I. Awan, J.A. Manion 11:00 COMP 463. Hybrid 2D/3D/MD QSAR models of kinase inhibitors based on molecular dynamics trajectories and machine learning techniques. D. Fourches

SECTION D Westin Boston Waterfront Douglass

Molecular Mechanics: Computational Studies of Membranes & Transmembrane Channels & Transporters M. Feig, J. Shen, Organizers J. V. Vermaas, Presiding 8:30 COMP 464. Protonation states and ion binding in Na+/K+-ATPase studied by constant-pH MD. B. Radak, H. Rui, J. Thirman, W. Jiang, B. Roux 9:00 COMP 465. Likely role of hydrophobic gating in BK channels. M. Yazdani, Z. Jia, G. Zhang, c. Jianmin, J. Chen 9:30 COMP 466. Force transduction and anchoring of the mechanosensitive channel MscL to lipid membrane through charged interactions. J.M. Vanegas, R. Rajeshwar, M. Arroyo 10:00 COMP 467. Understanding permeability and selectivity in sub-nm pore-size synthetic water transport channels. D.R. Barden, H. Vashisth 10:30 Intermission. 10:50 COMP 468. Temperature sensor in bacterial porins. M. Ceccarelli, S. Acosta-Gutierrez, I. Bodrenko 11:20 COMP 469. Insights on small molecular permeation and gating functions of Connexin26 hemichannels. H. Zhang, W.M. Botello-Smith, P. Chatterjee, P.W. Chang, Y.L. Luo

SECTION E Westin Boston Waterfront Paine

Quantum Mechanics H. P. Hratchian, Organizer K. Lao, Presiding 8:30 COMP 470. Computational study of the Criegee intermediate through ozonolysis reaction of sabinene. M. Almatarneh 8:55 COMP 471. DFT study on cation-π interactions of Li+, Na+ and K+ with two benzene rings connected through linear chains. T. Dinadayalane, N. Alshamrani 9:20 COMP 472. Halogen bonding interactions: Revised benchmarks and a new assessment of exchange vs dispersion. B.M. Wong, L.N. Anderson, F. Aquino, A.E. Raeber, X. Chen 9:50 COMP 473. C-H bond activation catalyst elucidation and improvement. E.N. Brothers, D. Ninkovic, S.D. Zaric, M.B. Hall

10:20 Intermission. 10:40 COMP 474. Lignin intermediates on the Pd surface: Effect of coverage. P. Srifa, J.S. Samec, P. Broqvist, K. Hermansson 11:00 COMP 475. Quantum mechanical modeling of energy conversion in nanoscale. Y. Zhang 11:25 COMP 476. CANDLE: Complementary approach to solving cyclic peptide conformations using chemical shifts. N. Nguyen, J. Schwochert, D. Tantillo, S. Lokey 11:50 COMP 477. Efficient estimation of formation enthalpies for organic compounds with local coupled-cluster methods. A. Kazakov, E. Paulechka

Materials in Extreme Environments Frontiers of Theory & Experiment for Creating & Probing Materials in Extreme Environments Sponsored by PHYS, Cosponsored by COMP

WEDNESDAY AFTERNOON SECTION A Westin Boston Waterfront Adams

Computational Photocatalysis: Modeling of Photophysics & Photochemistry at Interfaces Cosponsored by PHYS D. Kilin, S. W. Kilina, Organizers Y. Han, Organizer, Presiding J. P. Lewis, Presiding 1:30 COMP 478. Electron-initiated photochemistry: Molecular ionization, excitation, and reactions. K.K. Irikura 2:00 COMP 479. Role of density functional theory in interpreting photochemistry of metal-organic species. M.T. Berry, P.S. May, Y. Han 2:30 COMP 480. Controlling the fluorine-contained photofragments formation in Ln(hfac)3 with fs laser dissociative ionization. J. Chen, H.A. Rabitz 2:45 COMP 481. Modeling chemical reactions in protic solvents. N. Govindarajan, E. Meijer 3:15 Intermission. 3:30 COMP 482. Structural and spectroscopic characterization of interfaces between photo-absorbers, water and catalysts: First principles calculations. G.A. Galli 4:00 COMP 483. Controlling energy flow in plasmonic photocatalysis through the design of hybrid plasmonic nanostructures. S. Linic 4:30 COMP 484. Machine-learning approaches to rationally designed bimetallic nanoparticles and nanoparticles at the interface. J.P. Lewis 5:00 COMP 485. Modulating binding modes of Ir dual atom catalysts by metal-substrate interatomic matching and its application to solar water splitting. K. Yang, Y. Zhao, X. Yan, S. Cao, K. Materna, X. Pan, M. FlytzaniStephanopoulos, G.W. Brudvig, D. Wang, V.S. Batista 5:15 COMP 486. Studies of PCET in natural and artificial photosynthesis. V.S. Batista

SECTION B Westin Boston Waterfront Faneuil

Drug Design Free Energy Calculations in Drug Discovery M. R. Landon, Y. Tseng, Organizers A. K. Gupta, Presiding 1:30 COMP 487. Accurate calculation of relative binding free energies between ligands with different net charges. W. Chen, Y. Deng, E. Russell, A. Clark, J.L. Knight, R. Abel, L. Wang 1:55 COMP 488. Simulation of competition experiments in order to predict relative binding affinities of drug-like molecules. H. Gunaydin 2:20 COMP 489. Resolving the ligand binding specificity in c-MYC G-quadruplex DNA: Absolute binding free energy calculations and SPR experiment. N. Deng, L. Wickstrom, C. Lin, P. Cieplak, D. Yang 2:45 Intermission. 3:00 COMP 490. Increasing binding affinity of Gd@ C82(OH)22 for human MMP-9 by mutation of a surface functional group. S.H. Chen, S. Kang, J. Luo, R. Zhou 3:25 COMP 491. Computational approach to the regulation of protein-protein interactions by molecular tweezers. K. Bravo-Rodriguez, S. Mittal, E. Sanchez-Garcia 3:50 COMP 492. Exploring protein–ligand interactions using molecules-in-molecules (MIM) fragment-based approach. B. Thapa, D. Beckett, K. Raghavachari

SECTION C Westin Boston Waterfront Alcott

Revolutionizing Chemistry with Artificial Intelligence AI-Assisted Material Discovery & Characterization P. Das, R. K. Das, O. Isayev, Organizers, Presiding 1:30 COMP 494. Robogenic chemistry. S. McananamaBrereton, M. Segler, M. Waller 1:55 COMP 495. Integration of machine-learned surrogate models in first principles inorganic material design. J. Janet, A. Nandy, C. Duan, H.J. Kulik 2:15 COMP 496. Are machines smarter than human chemists, or only less biased? The unreasonable effectiveness of random experiments. J. Schrier 2:35 COMP 497. Self-evolving machine: A continuously improved model for molecular thermochemistry. Y. Li, K. Han, W.H. Green 2:50 COMP 498. Machine learning across the periodic table. M. Willatt 3:10 Intermission. 3:25 COMP 499. ANI strikes again. New results from a grown-up machine learning method for organic systems. J.S. Smith, O. Isayev, A.E. Roitberg 3:45 COMP 500. Pushing the frontiers of materials modeling and discovery with machine learning. S. Sankaranarayanan 4:05 COMP 501. Polymer genome: A polymer informatics paradigm for accelerated property prediction. A. Chandrasekaran, C. Kim, R. Ramprasad 4:20 COMP 502. Revolutionizing molecular modeling with machine learning. J. Hachmann

SECTION D Westin Boston Waterfront Douglass

Molecular Mechanics Advanced Simulation Techniques M. Feig, Organizer D. Ghoreishi, Presiding 1:30 COMP 503. QM/MM in GENESIS: Applications to anharmonic vibrational analysis of biomolecules. K. Yagi, Y. Sugita 2:00 COMP 504. Chebyshev interaction model for efficient simulations (ChIMES): Rapidly parameterizable force fields for quantum-accurate reactive simulation. R.K. Lindsey, L.E. Fried, N. Goldman 2:30 COMP 505. Vibrational modes, phonons, and atomic relaxation in diffusion Monte Carlo. Y. Liu, B. Andrews, G. Conduit 3:00 COMP 506. Chemically relevant conformation clustering: Applications to reaction exploration and calculation of spectra. K. Ermanis, J.M. Goodman 3:30 Intermission. 3:50 COMP 507. Finding multiple reaction pathways via global optimization of action. J. Lee, B. Brooks 4:20 COMP 508. Conformational kinetic analysis of replica exchange MD using coarse master equations. N. Buchete, B. Brooks, B. Narayan, C. Herbert 4:50 COMP 509. Multiscale enhanced sampling of intrinsically disordered protein conformations. X. Liu, J. Chen

SECTION E Westin Boston Waterfront Paine

Quantum Mechanics H. P. Hratchian, Organizer R. M. Richard, Presiding 1:30 COMP 510. Beyond Kohn-Sham approximation: Hybrid wave function and multistate density functional theory (MSDFT) for ground and excited states. J. Gao 2:00 COMP 511. Separating quantum and classical uncertainty in open systems enables the systematic generalization of classical tools. A. Dodin, A. Willard 2:20 COMP 512. Polarizable QM/MM for excited-state dynamics. W.J. Glover 2:45 COMP 513. Revealing the quantum mechanical nature of proteins through ab initio molecular dynamics. Z. Yang, H.J. Kulik 3:10 Intermission. 3:30 COMP 514. Accurate modeling of absorption lineshapes of solvated dyes. T.J. Zuehlsdorff, C. Isborn

3:55 COMP 515. Validation and metric of convergence for exact diatomic-in-molecules (DIM) calculations. S.L. Fiedler 4:20 COMP 516. Beyond the single point energies: Incorporating the correlation consistent composite approach to the energy derivatives. Y. Jin, A.K. Wilson 4:45 COMP 517. Using explicitly correlated and standard CCSD(T) for high-accuracy theoretical thermochemistry. B. Welch, R. Dawes

Materials in Extreme Environments Electrides Sponsored by PHYS, Cosponsored by COMP

WEDNESDAY EVENING Computational Methods for Lanthanides and Actinides: Theory & Applications Sponsored by NUCL, Cosponsored by COMP

THURSDAY MORNING SECTION A Westin Boston Waterfront Adams

Computational Photocatalysis: Modeling of Photophysics & Photochemistry at Interfaces Cosponsored by PHYS Y. Han, D. Kilin, S. W. Kilina, Organizers E. Jakubikova, S. Jensen, Presiding 8:30 COMP 518. Cerium metal-organic frameworks and high local exchange density functionals for photocatalysis. X. Wu, P. Verma, S. Huang, L. Gagliardi, D.G. Truhlar 9:00 COMP 519. Ligand-free, isolated gold nanoparticles in metal-organic frameworkmaterials. S. Jensen, T. Thonhouser 9:30 COMP 520. Understanding the electrochemical reduction of carbon dioxide at copper surfaces. D. Ren, M. Graetzel 10:00 COMP 521. Modeling metallorganic hole transporting materials for solid-state dye-sensitized solar cells. S. Fantacci 10:15 Intermission. 10:30 COMP 522. Interfacial electron transfer in Fe(II) chromophore-TiO2 assemblies: Importance of conformational sampling. E. Jakubikova 11:00 COMP 523. Accurate computation of the spin state energetics of transition metal complexes. Role of exchangecorrelation functional, scalar-relativistic effects and solvent effects: Application to methane-to-methanol conversion catalysis. N.K. Dandu, O. Adeyiga, D. Panthi, S.O. Odoh 11:30 COMP 524. Tuning the photophysical properties of monocationic iridium(III) complexes by varying the site of benzannulation on diimine or cyclometalating ligands: A combined experimental and theoretical study. W. Sun, B. Liu, L. Lystrom, S. Kilina 12:00 COMP 525. Photophysics of transition metal-based chromophores: Fundamental issues and applications. J.K. McCusker

SECTION B Westin Boston Waterfront Faneuil

Drug Design Machine Learning & Off-Target Prediction M. R. Landon, Y. Tseng, Organizers S. Das, R. Maji, Presiding 8:30 COMP 526. Applications of multi-class machine learning models to drug design. M. Waldman, M.S. Lawless, P.R. Daga, R.D. Clark 8:55 COMP 527. GPGPU enhanced binding site similarity determination. M. Repasky, V. Babin, J. Shelley 9:20 COMP 528. Structure-based searching of chemical space with Pharmit. D. Koes 9:45 COMP 529. Facilitating intelligent HIV drug design with assay central. K.M. Zorn, T. Lane, A. Clark, S. Ekins, V. Makarov, A. Garzino-Demo 10:10 Intermission. 10:35 COMP 530. Riding the waves of PPI-network perturbations to predict phenotypic assay outcome. G. Zahoranszky-Kohalmi, R. Guha, M.G. Cyr, M. Henderson, S. Fang, A. Zakharov 11:00 COMP 531. Retrospective study to assess selectivity among phosphodiesterases (PDE’s) families using FEP+. F. Moraca, A. Negri 11:25 COMP 532. Computational selectivity modelling for bromodomains: Insights into selectivity and discovery of new small-molecule hits. K. Giblin, S. Hughes, H. Boyd, P. Hansson, R. Sheppard, T. Hayhow, A. Bender

SECTION C Westin Boston Waterfront Alcott

Material Science C. M. Aikens, Organizer R. S. Singh, Presiding 8:30 COMP 533. Negative isotope effect for carrier mobility in organic semiconductors: Natural manifestation of quantum nuclear tunneling effect. Z. Shuai 8:55 COMP 534. Circular-donor/fullerene type architecture for organic semiconductor applications. O. Kocak, I. Duru, I. Yavuz 9:20 COMP 535. Design of single molecule diodes: Using quantum interference to tune molecular rectification. J.L. Palma, J. Valdiviezo, J. Showman, A. Polakovsky 9:45 COMP 536. Static and dynamic energetic disorder in OLED materials. P. de Silva, T.A. Van Voorhis 10:10 Intermission. 10:30 COMP 537. Modular allyl framework for electrochromic switches. C.B. Rinderspacher, J.M. Elward, R.H. Lambeth 10:55 COMP 538. Periodic DFT calculations for predicting structures, properties and reactivity of organic and metalorganic materials. M. Arhangelskis, R. Tran, A.D. Katsenis, P. Hindle, F. Topic, A.J. Morris, T. Friscic 11:20 COMP 539. CrystaLattE: Automated computation of benchmark-level lattice energies of molecular crystals. C.H. Borca, B.W. Bakr, L.A. Burns, C.D. Sherrill

SECTION D Westin Boston Waterfront Douglass

Molecular Mechanics Biological Macromolecules in Action M. Feig, Organizer G. Chong, Presiding 8:30 COMP 540. Hsp70 substrate binding selectivity physical origins revealed by combining sparse data sources using machine learning. C. English, J. Chen, W. Sherman, L.M. Gierasch 9:00 COMP 541. Anomalous effects of velocity rescaling algorithms: The flying ice cube effect revisted. E. Braun, M.S. Moosavi, B. Smit 9:30 COMP 542. Mechanism of the G-protein mimetic nanobody binding to a muscarinic G-protein-coupled receptor. Y. Miao, J. McCammon 10:00 COMP 543. Formation of an activated CRISPR-Cas9 by “sensing”, “regulating” and “locking” the catalytic HNH domain. G. Palermo, C. Gravina Ricci, I. Rivalta, M. Jinek, V.S. Batista, J. McCammon 10:30 Intermission. 10:50 COMP 544. Base-flipping dynamics from an intrahelical to an extrahelical state exerted by thymine DNA glycosylase during DNA repair process. L. Da 11:20 COMP 545. Using current-flow betweenness scheme to capture mutation induced disruption of protein allosteric regulation. W.M. Botello-Smith, Y.L. Luo 11:50 COMP 546. Elucidating allosteric communications in proteins with dynamical contact network analysis. X. Yao, M. Momin, D. Hamelberg

SECTION E Westin Boston Waterfront Paine

Quantum Mechanics H. P. Hratchian, Organizer Z. Yang, Presiding 8:30 COMP 547. Assessing performance of the “B05” density functional with regards to charge transfer and density accuracy. S.G. Dale, E.R. Johnson, A.D. Becke 8:55 COMP 548. Multipole polarizabilities at the linear response coupled cluster level. K. Lao, J. Jia, C. Gladue, P. Csernica, R.A. Distasio 9:20 COMP 549. Leveraging NWChemEx’s computational chemistry app store to design an exascale SCF. R.M. Richard, T.H. Dunning, R.J. Harrison, T.L. Windus 9:45 COMP 550. Pair density functional theory description of dynamical electron correlation in variational two-electron reduced-density-matrix-driven complete active space selfconsistent field methods. M. Mostafanejad, A.E. DePrince 10:05 Intermission. 10:25 COMP 551. Coupled cluster theory for quantum many-body systems at finite temperature. A. White, G. Chan

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4:15 COMP 493. Movable type – potential of mean force method applied to the protein-ligand binding study. Z. Zheng, L. Westerhoff, K.M. Merz

TECHNICAL PROGRAM

COMP/ENFL 10:50 COMP 552. Deterministic quantum chemistry of the uniform electron gas: An adaptive sampling configuration interaction (ASCI) approach. D. Hait, N.M. Tubman, D.S. Levine, M.P. Head-Gordon 11:10 COMP 553. Incremental embedding: A density matrix embedding scheme for molecules. H. Ye, M. Welborn, N. Ricke, T.A. Van Voorhis 11:30 COMP 554. Multiconfigurational wave function methods for periodic systems via density matrix embedding theory. H.Q. Pham, L. Gagliardi

3:50 COMP 570. Molecular dynamics and quantum mechanics analyses of the binding of covalent inhibitor ETX2514 and other analogs to class D β-lactamase OXA-24. C. Velez Vega, T. Durand-Reville, R.A. Tommasi 4:15 COMP 571. Identifying inhibitors for lipolytic enzymes: A step towards the development of anti-inflammatory agents. V. Mouchlis, J. McCammon, E.A. Dennis

SUNDAY MORNING

SECTION C

Materials in Extreme Environments Extreme Chemistry of Planetary Interiors

Material Science

V. Barone, L. Hu, Y. Lin, Organizers Z. Wu, Y. Zhu, Organizers, Presiding 7:55 Introductory Remarks. 8:00 ENFL 1. Critical role of ultrathin graphene films with tunable thickness in enabling highly stable sodium metal anodes. H. Wang 8:15 ENFL 2. Two-dimensional materials for electrocatalytic water splitting. J. Wang 8:30 ENFL 3. Facile synthesis of 2D molybdenum carbide nanosheets. W.P. Mounfield, Y. Shao-Horn, Y. Roman-Leshkov 8:45 ENFL 4. Catalytic hydrogenation of nitrobenzene via intrinsic holey graphene nanoplatelets with rich zigzag edges. K. Savaram, M. Li, K. Tajima, K. Takai, T. Hayashi, E.L. Garfunkel, V. Osipov, N. Ma, H. He 9:00 ENFL 5. Heavy metal, semiconductor, and semi-metal atomic intercalation for chemically tunable 2D materials. K.J. Koski 9:15 ENFL 6. Defect engineering of liquid phase exfoliated 2D semiconducting WSe2 nanoflakes for solar fuel generation. K.A. Sivula 9:30 Intermission. 9:45 ENFL 7. Holey graphene air cathodes for high capacity rechargeable lithium air batteries. Y. Lin, J. Kim, J.W. Connell 10:10 ENFL 8. From electronic structure to electrochemical applications of 2D materials. Y. Liu 10:25 ENFL 9. Role of structural hydroxyl groups in enhancing performance of electrochemically-synthesized bilayer V2O5. S. Tepavcevic, J. Connell, P. Papa Lopes, M. Bachhav, B. Key, E. Crumlin, N.M. Markovic 10:40 ENFL 10. Exploration of copper-reduced graphene oxide core-shell nanowire films as transparent electrodes for high-performance suspended particle devices. S. Huang, F. Ren, D. Ma 10:55 ENFL 11. Generalized 3D printing of graphene-based mixed-dimensional hybrid aerogels. T. Xingwei, H. Zhou, T. Fan 11:10 ENFL 12. Modeling of electrode materials with density functional theory. V. Barone 11:35 Concluding Remarks.

Sponsored by PHYS, Cosponsored by COMP

THURSDAY AFTERNOON SECTION A Westin Boston Waterfront Adams

Computational Photocatalysis: Modeling of Photophysics & Photochemistry at Interfaces Cosponsored by PHYS Y. Han, S. W. Kilina, Organizers D. Kilin, Organizer, Presiding S. Huang, B. Rasulev, Presiding 1:30 COMP 555. Formation and structure of black TiO2: Insights from first principles simulations. X. Zhao, S. Selcuk, A. Selloni 2:10 COMP 556. Ab initio constant temperature molecular dynamics of liquid-solid interfaces. H. Metiu, H.H. Kristoffersen 2:40 COMP 557. Nonradiative relaxation dynamics of surface functionalized and doped anatase TiO2 nanowire. S. Huang, D. Kilin 3:10 Intermission. 3:25 COMP 558. Excitonic states and charge transfer at polar boundaries involving π-conjugated systems. H. Lischka, M. Barbatti 3:55 COMP 559. Modeling of photooxidative degradation of aromatics in water matrix: A computational mechanistic and statistical models. B. Rasulev, D. Juretic, H. Kusic, D.D. Dionysiou, A. Loncaric Bozic 4:10 COMP 560. Simulating charge separation and electron transfer in heterogenous environments: The case study of cryptochrome protein. K.B. Bravaya 4:25 COMP 561. Unique adsorption behaviors of NO and O2 at hydrogenated anatase TiO2(101) and the implication on surface photo-activities. F. Li, W. Huang, X. Gong 4:40 COMP 562. Towards understanding the relation between single-site photocatalytic centers and transition metal oxide defect sites in the photocatalytic transformation of small molecules. L.M. Thompson 4:55 COMP 563. Characterization of conical intersections in CsPbBr3 perovskite surface models. M.P. Esch, B.G. Levine 5:10 COMP 564. Water oxidation chemistry of oxynitrides and oxides: Comparing NaTaO3 and SrTaO2N. H. Ouhbi, U. Aschauer 5:25 Concluding Remarks.

SECTION B Westin Boston Waterfront Faneuil

Drug Design Application of Mixed Methods for CADD M. R. Landon, Y. Tseng, Organizers S. H. Chen, Presiding 1:30 COMP 565. Structural implications of hinge D/E switching in the human kinome. A.J. Campbell, J.R. Sacher, M. Weiwer, J.P. Gale, Y. Zhang, P.A. Clemons, S. Gill, E. Scolnick, J.Q. Pan, E.B. Holson, F.F. Wagner 1:55 COMP 566. Successful application of ensemble-based, multi-target hierarchical virtual screening approach to discover novel allosteric KRAS inhibitor validated through experiments. A.K. Gupta, C.V. Pagba, P.S. Srivastava, S. Sarkar-Banerjee, W. Xu, J.F. Hanco*ck, J.A. Putkey, A. Gorfe 2:20 COMP 567. Ligand efficacies at a GPCR: Computational and biochemical studies in the case of leukotriene B4 receptor 2 (BLT2). A. Cho 2:45 Intermission. 3:00 COMP 568. Structural insights towards the design of potent anti-HIV inhibitors. D. Das 3:25 COMP 569. In silico prediction of β-lactamase hydrolysis efficiency: Finding the right balance between kinetic and thermodynamic terms. A. Zavala, S. Oueslati, E. Selwa, E. Elisée, T. Naas, B.I. Iorga

152

Westin Boston Waterfront Alcott C. M. Aikens, Organizer S. Das, Presiding 2:20 COMP 572. Theoretical investigations of the defect chemistry and tritium diffusivity properties in γ-LiAlO2 pellets. H.P. Paudel, Y. Lee, D. Sorescu, Y. Duan 2:45 COMP 573. Predicting the effects of compositional tuning on complex metal oxide dissolution. S.E. Mason 3:10 Intermission. 3:30 COMP 574. Role of molybdenum oxysulfide rings in the growth of MoS2 from sulfurization of MoO3. T. Tsafack, S.F. Bartolucci, J.A. Maurer 3:55 COMP 575. First-principles study of redox reactions in all-vanadium redox flow batteries. Z. Jiang, K. Klyukin, V. Alexandrov 4:20 COMP 576. Theoretical simulation of dehydration of natural gas using MOFs and zeolite molecular sieve composite membrane. Q. Song 4:45 COMP 577. Two-dimensional materials: Insights from theory. J. Wang

SECTION D Westin Boston Waterfront Douglass

Molecular Mechanics It’s All About Interactions M. Feig, Organizer V. D. Cruzeiro, Presiding 1:30 COMP 578. Urea-aromatic interactions: Protein unfolding to urea transporters. S. Goyal, A. Chattopadhyay, K. Kasavajhala, U. Priyakumar 2:00 COMP 579. Excipient-protein interactions for enhancing the stability of protein-based therapeutics using the site identification by ligand competitive saturation technology. S. Jo, S.K. Lakkaraju, W. Yu, A.D. Mackerell 2:30 COMP 580. How do hydrophobic surfaces modulate the conformational equilibria of protein backbones? A. Bhattacharya 3:00 Intermission. 3:20 COMP 581. Conformational impact on amino acidsurface π−π interactions on a (7,7) single-walled carbon nanotube: A molecular mechanics approach. L. Grabill 3:50 COMP 582. Computational approaches for investigating adhesion phenomena at organic-inorganic interface. K. Min, A. Rammohan, H. Lee, J. Shin, S. Lee, S. Goyal, H. Park, J. Mauro, R. Stewart, V. Botu, H. Kim, E. Cho

Computational Methods for Lanthanides and Actinides: Theory & Applications Sponsored by NUCL, Cosponsored by COMP

Materials in Extreme Environments Light Elements & Hydrides Sponsored by PHYS, Cosponsored by COMP

ENFL

Division of Energy and Fuels J. Liu, Program Chair SOCIAL EVENTS: Breakfast, 7:00 AM: Sun Dinner, 7:00 PM: Sun Dinner, 6:00 PM: Tue BUSINESS MEETINGS: Business Meeting, 12:00 PM: Mon

SECTION A Renaissance Boston Waterfront Spectacle

2D Materials: Innovative Materials & Devices for Energy & Fuels

SECTION B Renaissance Boston Waterfront Pacific Grand Ballroom Salon A

Carbon Dioxide Conversion & Artificial Photosynthesis H. Lin, Organizer F. Jiao, Organizer, Presiding H. Wang, Presiding 7:55 Introductory Remarks. 8:00 ENFL 13. Photocatalyst for the conversion of CO2 to CO based on the [XMnbpy(CO)3] system. A.B. Bocarsly, H. Kuo, S.E. Tignor 8:40 ENFL 14. Biomimetic construction of artificial diatoms with multiscale architectures for CO2 photo-reduction. H. Zhou, T. Fan, D. Zhang 9:10 ENFL 15. Wavelength dependence on photocatalytic carbon dioxide reaction with methanol over nanostructured cobalt catalyst. K. Davies, D.K. Ryan 9:35 ENFL 16. Efficient assembly of light absorber-catalyst for photocatalytic CO2 reduction using perfluorosulfonate polymer. S. Lee, S. Kim, A. Bokare, G. Moon, W. Kim, W. Choi 10:00 Intermission. 10:15 ENFL 17. Incorporation of molecular diodes into ruthenium photocatalytic systems. D.J. Boston, T. Finley, C. Sparks 10:40 ENFL 18. Nickel phosphides: A new family of catalysts for energy-efficient electrochemical CO2 reduction to C3 and C4 products. K.U. Calvinho, G.C. Dismukes, A.B. Laursen, K.M. Yap 11:05 ENFL 19. Electrochemical reduction of carbon dioxide to fuel using ZnO-CuO nanocomposite. K. Malik, A. Verma 11:30 ENFL 20. Selective electrochemical reduction of CO2 to ethylene on nanopores modified copper electrodes in aqueous solution. Y. Peng

SECTION C Renaissance Boston Waterfront Pacific Grand Ballroom Salon D

Y. H. Hu, R. T. Koodali, Organizers W. Wei, Organizer, Presiding H. Zhou, Presiding 7:55 Introductory Remarks. 8:00 ENFL 21. Advanced electrode materials for 3rd generation solar cells. Y.H. Hu 8:40 ENFL 22. Recent advances in TiO2 nanostructures as photoanode for highly optimized dye-sensitized solar cells. H. Javed, W. Que 9:00 ENFL 23. Amplified light energy conversion at TiO2 photonic crystals sensitized with Q-CdTe modified with selenide: Effects of light trapping and selenide treatment. N. Beydoun, R. Farhat, L.I. Halaoui 9:20 ENFL 24. Charge separation in nonpolar media: Carrier mobility of conjugated polymers in the presence of counterions. J.H. Burke, M.J. Bird, J.R. Miller 9:40 ENFL 25. All-solution fabrication process of nanostructured WO3/BiVO4 heterojunction with catalyst for efficient solar water splitting. B. Lee, M. Lee, H. Park, T. Lee, H. Jang 10:00 Intermission. 10:10 ENFL 26. Solar energy conversion and utilization systems via 3D printing technique. H. Zhou, T. Fan, D. Zhang 10:40 ENFL 27. Nano-scale origins of interfacial photocatalytic enhancement in ZnS/GaP multilayer films. P. Musavigharavi, L. Xie, C. Park, Y. Hau Ng, J. He, J. Hart, N. Valanoor 11:00 ENFL 28. Efficient photoreduction of bicarbonate to formate catalyzed by gold-TiO2 composite nanocatalyst under solar irradiation. H. Pan, S. Chowdhury, M.D. Heagy 11:20 Concluding Remarks.

SECTION D Renaissance Boston Waterfront Pacific Grand Ballroom Salon E

Innovative Materials & Integrated Pathways for Sustainable Energy & Resource Production T. Allen, G. Gadikota, Organizers, Presiding 7:55 Introductory Remarks. 8:00 ENFL 29. Iodine-treated metal-organic framework: Facile synthesis and a highly efficient amorphous catalyst toward oxygen reduction. B. Chen 8:30 ENFL 30. Synthesis, characterization, and modeling of new piperidinium based ionic liquid electrolytes. J. Chapman Varela, A. Hino, K. Sankar, D. co*ker, M.W. Grinstaff 9:00 ENFL 31. Methylene blue-containing wastewater for energy storage. M.A. Kosswattaarachchi, T.R. Cook 9:30 ENFL 32. Carbon-based nano-composites for energy storage and conversion: Architecture design and in-situ synthesis. Y. Lin, M. Han, S. Xiong 10:00 Intermission. 10:15 ENFL 33. H2 generation from H2S via an iodine thermochemical cycle. R. Gillis, P. Lolur, W.H. Green 10:45 ENFL 34. Polymethacrylamide and carbon composites that grow, strengthen and self-repair using ambient carbon dioxide fixation. S. Kwak, J. Giraldo, T. Lew, M. Wong, P. Liu, Y. Yang, V. Koman, M. McGee, B.D. Olsen, M. Strano 11:15 ENFL 35. Biogas upgrading to biomethane: Regenerable amine-modified materials for carbon dioxide separation. Y. Meng, J. Jiang, Y. Gao, Q. Zou, M. Yang, Y. Xu 11:45 Concluding Remarks.

SECTION E Renaissance Boston Waterfront Pacific Grand Ballroom Salon B

USA-China Symposium on Energy Storage Y. H. Hu, Organizer F. Jin, X. Wang, Organizers, Presiding Z. Yao, Presiding 8:25 ENFL 36. CO2 utilization and storage via chemically enhanced carbon mineralization of silicate minerals and alkaline industrial wastes. G. Rim, C. Zhou, A.A. Park 9:00 ENFL 37. One-dimensional nanomaterials for emerging energy storage. L. Mai 9:35 ENFL 38. Two-dimensional early transition metal carbides (MXenes) for energy storage applications. Y. Dall’Agnese, Y. Gao, Y. Gogotsi 10:10 Intermission. 10:20 ENFL 39. Phosphorus-based nanomaterials for energy applications. H. Ji 10:55 ENFL 40. Thermal and spectroscopic analysis of porous-organic framework interactions with simple chemical species. E. Borguet

11:20 ENFL 41. Enabling energy storage devices through chemical vapor deposition fabrication approaches. K.K. Lau

SECTION F Renaissance Boston Waterfront Pacific Grand Ballroom Salon C

Battery Technology: Vehicle to Grid Flow & Aqueous Batteries W. Liu, Organizer N. Liu, Organizer, Presiding G. Liu, Presiding 7:55 Introductory Remarks. 8:00 ENFL 42. Recent progress in organic-based aqueous flow batteries for stationary electrical energy storage. M.J. Aziz 8:30 ENFL 43. Understanding the role of electrode microstructure and thermal treatment on redox flow battery performance. F. Brushett 9:00 ENFL 44. Electrolyte-dictated organic redox material design for beyond-lithium-ion batteries. Y. Liang, X. Chi, Y. Jing, S. Gheytani, Y. Zhang, F. Hao, H. Dong, Y. Yao 9:20 Intermission. 9:35 ENFL 45. Picking potions and potions: Closed form zinc bromine cells. D. Steingart 10:05 ENFL 46. Next-generation, rechargeable zinc batteries through 3D electrode redesign. J.W. Long, J.F. Parker, J.S. Ko, D.R. Rolison 10:35 ENFL 47. Nanoscale material design for rechargeable zinc anodes for high energy aqueous batteries. N. Liu

SECTION G Renaissance Boston Waterfront Pacific Grand Ballroom Salon F

Petroleum, Natural Gas, Gas Hydrates & Shale Gas F. Li, H. Lin, L. Neal, Organizers L. Fan, Organizer, Presiding 7:55 Introductory Remarks. 8:00 ENFL 48. New reactive fluids to increase gas production from source rock reservoirs. K.L. Hull, R. Saini, Y. Abousleiman 8:20 ENFL 49. Fluid/fluid and fluid/rock interpretation for a comprehensive understanding of low salinity waterflooding in limestone rocks. J.T. Tetteh, R. Barati Ghahfarokhi 8:40 ENFL 50. In-situ chemical mapping and quantification of organic matter in oil shale with 10-nm spatial resolution. D.S. Jakob, X. Xu 9:00 ENFL 51. Following the flocculation of crude oil asphaltenes’ using ultrasound and electrochemical impedance spectroscopy. J. Moncada, D. Schartung, N. Stephens, T. Oh, C.A. Carrero 9:20 ENFL 52. Effects of low salinity, potential determining ions and oil composition on carbonate wettability alteration in a model system. J. Song, S. Rezaee, Q. Wang, M. Puerto, S.L. Biswal, G.J. Hirasaki 9:40 Intermission. 9:50 ENFL 53. Influencing factors and selection of CH4 and CO2 adsorption on Silurian shale in Yibin, Sichuan Province of China. L. He, C. Yue, Y. Niu, S. Li, Y. Ma 10:10 ENFL 54. Dynamics and transport of gases in nano-confined fluids for sustainable shale gas recovery. G. Gadikota 10:30 ENFL 55. Petroleum-generating potential of the late cretaceous shale unit (Mamu Formation) in Western Flank of Anambra Basin, Nigeria. T.A. Adedosu, G. Ogungbesan 10:50 ENFL 56. Reactivity improvement using hybrid LaFeO3-Fe2O3 oxygen carriers for chemical looping methane partial oxidation. L. Qin, C. Zhou, M. Guo, Y. Liu, J.A. Fan, L. Fan 11:10 ENFL 57. Characterization of ketones compounds in sediments. P. Wang, C. Xu, Q. Shi

Moving the Safety Values of the ACS Forward Sponsored by PRES, Cosponsored by AGFD, ANYL, BIOL, BMGT, CA, CARB, CCS, CHAS‡, CINF, COLL, CPT, ENFL, ENVR, I&EC, ORGN, PROF and SCHB

Catalysis for Environmental & Energy Applications Sponsored by ENVR, Cosponsored by CATL, CELL, ENFL and I&EC

Designing Polymers for Function in Electrochemical Energy Storage Devices Advanced Polymer Membranes & Electrolytes Sponsored by PMSE, Cosponsored by ENFL

Waste to Product: Biological & Physicochemical Resource Recovery & Efficiency

SUNDAY AFTERNOON SECTION A Renaissance Boston Waterfront Spectacle

2D Materials: Innovative Materials & Devices for Energy & Fuels L. Hu, Y. Lin, Z. Wu, Organizers V. Barone, Y. Zhu, Organizers, Presiding 1:25 Introductory Remarks. 1:30 ENFL 58. Using optical imaging technique to characterize 2D materials for energy research. X. Shan, C. Yang, K. Vu 1:55 ENFL 59. Microwave enabled graphene derivatives with unique structures and their applications. H. He 2:20 ENFL 60. 2D black phosphorous as a polysulfide trapping agent in lithium-sulfur batteries. N. Koratkar 2:45 ENFL 61. Synthesis and assembly of ordered nanocomposite anode materials using graphene. N. Bao, D. He, C. Li, L. Shen, H. Kung 3:10 Intermission. 3:25 ENFL 62. Anisotropic thermoelectric conduction in 2D materials. J.E. Goldberger 3:50 ENFL 63. Hybrid graphene nanostructures for electrochemical energy storage. M. Song 4:15 ENFL 64. Two-dimensional conductive MOF as Li metal anode nanohost. Y. Zhu 4:40 ENFL 65. Wearable bioelectronic and energy devices based-on laser-induced porous graphene. Z. Yan

SECTION B Renaissance Boston Waterfront Pacific Grand Ballroom Salon A

Carbon Dioxide Conversion & Artificial Photosynthesis F. Jiao, Organizer H. Lin, Organizer, Presiding Y. Kang, Presiding 1:55 Introductory Remarks. 2:00 ENFL 66. Interconversion between CO2 and HCOOH catalyzed by PdAu reduced graphene oxide. H. Kawanami, H. Zhong, M. Iguchi, M. Chatterjee, Q. Xu 2:40 ENFL 67. APTES-promoted molecular basket sorbents for CO2 capture from flue gas. X. Wang, C. Song 3:10 ENFL 68. Sorbent enhanced reverse water gas shift reaction: Maximizing CO yield. J. Pieterse 3:35 Intermission. 3:50 ENFL 69. Tailoring the discharge reaction in Li-CO2 batteries through incorporation of CO2 capture chemistry. A. Khurram, B. Gallant 4:15 ENFL 70. CO2 capture and recycling (CCR): New silica supported polyamine based solid absorbents for efficient CO2 absorption. T. Mathew, L. Gurung, S.G. Prakash 4:40 ENFL 71. Unique mixing behaviors of novel nanoscale hybrid material systems enabling combined CO2 capture and conversion. T. Feric, M. Gao, A.A. Park 5:05 Concluding Remarks.

SECTION C Renaissance Boston Waterfront Pacific Grand Ballroom Salon D

Innovative Nanomaterials Used in Solar Energy Carbon Dioxide Conversion & Artificial Photosynthesis Y. H. Hu, Organizer R. T. Koodali, W. Wei, Organizers, Presiding 1:55 Introductory Remarks. 2:00 ENFL 72. Identifying the bandgaps of two-dimensional CsPb2Br5 and zero-diemnsional Cs4PbBr6 perovskites. J. Bao 2:40 ENFL 73. Carbon nanomaterials for new generation solar cells. W. Wei, Y.H. Hu 3:10 ENFL 74. Scalable photocatalytic nanotube arrays towards terawatt-scale artificial photosynthesis. W. Jo, H.M. Frei 3:30 ENFL 75. Pulsed electrodeposition of an ultrathin ZnOx interlayer for stabilizing Cu2O-based photocathodes for photoelectrochemical applications. H. Wu, R. Amal, Y. Hau Ng 3:50 ENFL 76. Growth of silica nanowires on diatom frustules via vapor-liquid-solid process. A. Li, X. Zhao, S. Anderson, X. Zhang 4:10 Concluding Remarks.

Sponsored by ENVR, Cosponsored by AGRO, ENFL and I&EC

153

TECHNICAL PROGRAM

Innovative Nanomaterials Used in Solar Energy

TECHNICAL PROGRAM

ENFL SECTION D Renaissance Boston Waterfront Pacific Grand Ballroom Salon E

Innovative Materials & Integrated Pathways for Sustainable Energy & Resource Production T. Allen, G. Gadikota, Organizers, Presiding 1:25 Introductory Remarks. 1:30 ENFL 77. New ethylene technology using carbon dioxide as a soft oxidant. A.M. Gaffney 2:00 ENFL 78. Direct conversion of Ca- and Mg-bearing alkaline industrial residues and CO2-bearing flue gas streams into calcium and magnesium carbonates for environmental reuse. G. Gadikota, M. Liu 2:30 Intermission. 2:45 ENFL 79. New thermodynamic and flow considerations for tight, organic-rich rocks. M.D. Deo 3:15 ENFL 80. Non-aqueous amine-based solvents as carbon dioxide capture materials. D. Malhotra, P. Koech, D. Heldebrant, J. Page, D. Cantu, V. Glezakou, R. Rousseau, F. Zheng, M. Bearden 3:45 ENFL 81. Enhancement of magnetic properties of Y3Fe5O12 (YIG) prepared by the sol-gel synthesis with an optimized mechanical pressing process for spin-caloritronic materials. M. Jang, K. Lee 4:15 Concluding Remarks.

SECTION E Renaissance Boston Waterfront Pacific Grand Ballroom Salon B

USA-China Symposium on Energy Battery & Fuel Cell Y. H. Hu, Organizer F. Jin, X. Wang, Organizers, Presiding Z. Yao, Presiding 1:55 ENFL 82. Manganese based compounds for highperformance Li-ion hybrid capacitors. G. Cao 2:30 ENFL 83. Thickness independent capacitance of vertically aligned liquid crystalline MXenes. Y. Xia, T. Mathis, M. Zhao, B. Anasori, A. Dang, Z. Zhou, H. Cho, Y. Gogotsi, S. Yang 3:05 ENFL 84. Porous lithium metal foam with superior ion accessibility for high performance lithium metal anode. A. Hafez, H. Zhu 3:30 Intermission. 3:40 ENFL 85. Boron doped graphene as metal-free electrocatalysts for fuel cells. Z. Yao, X. Wang 4:15 ENFL 86. Nitrogen coordinated single cobalt atom catalysts for oxygen reduction in fuel cells. G. Wu 4:40 ENFL 87. Emerging energy materials for lithium-sulfur batteries. Q. Zhang 5:00 ENFL 88. Chemically-engineered porous copper matrix with cylindrical core-shell skeleton as a stable host for metallic sodium anode. C. Wang

SECTION F Renaissance Boston Waterfront Pacific Grand Ballroom Salon C

Battery Technology: Vehicle to Grid Lithium Systems, Safety & Sustainability N. Liu, W. Liu, Organizers Z. Chen, H. Zhu, Presiding 1:25 Introductory Remarks. 1:30 ENFL 89. Charge storage in high-lithium hexaoxozirconates. A. Stein, N. Tran, B.E. Wilson, Y. Fang, W.H. Smyrl, D.G. Truhlar, S. Huang 2:00 ENFL 90. Water-in-salt electrolyte batteries. C. Wang, K. Xu 2:30 ENFL 91. Pillared layered oxides for enhanced lithium intercalation. L.T. Thompson, W. Lee, Y. Chen 3:00 Intermission. 3:20 ENFL 92. Investigating of the reliability and service life of EV batteries when used for grid services. V.L. Sprenkle 3:50 ENFL 93. Materials design for batteries with improved safety. Z. Chen 4:20 ENFL 94. Approach towards sustainable energy storage and generation using natural biopolymers and structures. H. Zhu, A. Mukhopadhyay, J. Hamel, L. Yang 4:50 ENFL 95. Holistic view of the interactions of binders in Si-based composite anodes: From slurry formulation to the casted electrode and its impact on electrochemical performance. K.A. Hays, R. Ruther, B. Armstrong, G. Veith

SECTION G Renaissance Boston Waterfront Pacific Grand Ballroom Salon F

154

Petroleum, Natural Gas, Gas Hydrates & Shale Gas L. Fan, F. Li, L. Neal, Organizers H. Lin, Organizer, Presiding 1:25 Introductory Remarks. 1:30 ENFL 96. Combined partial oxidation and CO2 dry reforming of methane in an iron oxide-based chemical looping process. J.W. Lee, M. Lee, H. Lim, D. Kang 2:10 ENFL 97. Alternative hydrogen generation process from hydrogen sulfide through an iodine based thermochemical cycle. P. Lolur, R. Gillis, W.H. Green 2:35 ENFL 98. Effect of temperature in activation of methane using WC catalyst supported on sulfated zirconia. A. Abedin, S. Kanitkar, S. Bhattar, J.J. Spivey 3:00 ENFL 99. Hydrogenation of selected heavy oil model systems using iron-based slurry dispersed catalyst. B. Antwi Peprah 3:25 ENFL 100. H-SAPO-34 catalyzed low-temperature single step conversion of methane to higher hydrocarbons via in-situ chlorine or bromine monohalogenation. P.T. Batamack, T. Mathew, S.G. Prakash 3:50 Intermission. 4:00 ENFL 101. Chemical looping oxidative dehydrogenation for light olefin generation: Redox catalyst design and process evaluations. L. Neal, F. Li 4:30 ENFL 102. Ab-initio derived group additivity model for intra-molecular hydrogen abstraction reactions. P.P. Plehiers, R. Van de Vijver, M. Sabbe, M. Reyniers, K. Van Geem, G.B. Marin 4:55 ENFL 103. Molecular-level kinetic model for naphtha catalytic reforming. W. Lyu, L. Zhang, S. Zhao, Q. Shi, C. Xu

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MONDAY MORNING SECTION A Renaissance Boston Waterfront Spectacle

2D Materials: Innovative Materials & Devices for Energy & Fuels V. Barone, L. Hu, Y. Zhu, Organizers Y. Lin, Z. Wu, Organizers, Presiding 7:55 Introductory Remarks. 8:00 ENFL 104. Two-dimensional polymers: Tunable organic 2D materials. A. Schlüter 8:35 ENFL 105. Amorphous MoS3 as the sulfur-equivalent cathode material for room-temperature Li-S and Na-S batteries. J. Lu 9:10 ENFL 106. Two-dimensional nanomaterials for emerging energy storage. L. Mai 9:35 ENFL 107. Bilayered vanadium oxides by chemical pre-intercalation of alkali and alkali-earth ions as battery electrodes. E. Pomerantseva 10:00 Intermission. 10:05 ENFL 108. Applications of liquid exfoliated nanosheets in energy storage. J.N. Coleman 10:40 ENFL 109. Revealing the oxidation kinetics and energy storage properties of titanium carbide (MXene) aqueous ink. C. Zhang, V. Nicolosi 11:05 ENFL 110. Thermoelectric properties of flexible reduced graphene oxide films up to 3000 K. T. Li 11:30 ENFL 111. 3D cross-linked graphene materials as standalone solar energy converter. Y. Chen

SECTION B Renaissance Boston Waterfront Pacific Grand Ballroom Salon A

Nanoscience of Energy Storage Electrodes & Electrolytes for Electrocatalytic Reactions B. Gurkan, J. L. Schaefer, Organizers, Presiding 8:25 Introductory Remarks.

8:30 ENFL 112. Quantitative assessment of channeling mechanisms in nanoscale catalytic architectures. S.A. Calabrese Barton, E. Earl, K.S. Chavan, Y. Liu 9:10 ENFL 113. Engineering solvent-electrolyte systems for efficient electroreduction of dinitrogen to ammonia under ambient conditions. B. Suryanto, R. Hodgetts, F. Zhou, M. Kar, A. Simonov, D. MacFarlane 9:50 ENFL 114. Earth-abundant FeS2-TiO2 heterostructures for highly active photocatalytic hydrogen evolution from UV, visible to near infrared light. T. Kuo, S. Li, D. Wang 10:20 Intermission. 10:35 ENFL 115. Towards activity design principles of nonprecious nanocatalysts for oxygen electrocatalysis. B. Cai, A. Garg, W. Mounfield, D. Kuznetsov, Y. Roman-Leshkov, Y. Shao-Horn

SECTION C Renaissance Boston Waterfront Pacific Grand Ballroom Salon D

Energy & Fuels Storch Award in Fuel Science: Symposium in honor of Andrew Herring Cosponsored by PROF L. F. Greenlee, Organizer R. E. Winans, Organizer, Presiding 7:55 Introductory Remarks. 8:00 ENFL 116. Hydrodechlorination of trichloroethylene using Pd catalysts supported on swellable organically modified silica (SOMS). U.S. Ozkan, G. Celik, S. Ailawar, H. Sohn, S. gunduz, P. Edmiston 8:30 ENFL 117. Understanding the structure of Fe-Ni hydroxide nanoparticle electrocatalysts. L.F. Greenlee, P. Acharya, J. Burrow, M. Benamara, S. Lee 9:00 ENFL 118. Development of transition metal catalysts for arene alkenylation. T. Gunnoe, J. Chen, M. WebsterGardiner, B.A. Vaughan, W. Zhu, B.A. McKeown, X. Jia, A. Foley 9:30 ENFL 119. QM metadynamics full solvent simulations of the oxygen reduction reaction (ORR); atomistic description of the electrode-electrolyte interface (EEI). W.A. Goddard, T. Cheng, A. Fortunelli 10:00 Intermission. 10:05 ENFL 120. Plasmon-induced resonance energy and electron transfer in photocatalysts and photoelectrochemical cells. N. Wu 10:35 ENFL 121. 3D carbon nanomaterials for supercapacitors. Y.H. Hu 11:05 ENFL 122. Supercapacitive swing adsorption for carbon dioxide separation. S. Zhu, C. Liu, K. Landskron 11:35 ENFL 123. Confinement effects on the prolytic decomposition of lignin model compounds. M. Kidder, P.F. Britt, K. Herwig, A.C. Buchanan

SECTION D Renaissance Boston Waterfront Pacific Grand Ballroom Salon E

Sustainable Energy Conversion via Innovative Electrocatalysis & Photocatalysis F. Jiao, Y. Shao, G. Wu, Organizers, Presiding 7:55 Introductory Remarks. 8:00 ENFL 124. Platinum intermetallic oxygen reduction catalysts. J. Spendelow, Y. Pan, Y. Kim, J. Li, S. Sun 8:30 ENFL 125. Stain-controlled energy electrocatalysis on multimetallic nanomaterials. S. Guo 9:00 ENFL 126. Core@shell nanostructured Au@NiPt electrocatalysts for oxygen reduction reaction. B. Xu 9:30 ENFL 127. Instability of fuel cell catalysts: Precious metal and platinum group metal (PGM)-free catalysts. Y. Shao, X. Xie, V. Prabhakaran, J. Liu 10:00 ENFL 128. Rational design of low-PGM and non-PGM catalysts for PEM fuel cells. G. Zhang, R. Chenitz, M. Lefèvre, Q. Wei, X. Yang, J. Dodelet, S. Sun 10:30 Intermission. 10:35 ENFL 129. Controlling nanoparticle structure and nanoparticle interaction with oxide support to enhance electrochemical oxidation reactions. S. Sun 11:05 ENFL 130. Transmission electron microscopy characterization of metallic nanostructures for electrocatalysis. D. Su 11:35 ENFL 131. Redox fuel cells enabling converting fuels to electricity at high rate. L. An

SECTION E Renaissance Boston Waterfront Pacific Grand Ballroom Salon B

SECTION H Renaissance Boston Waterfront Pacific Grand Ballroom Salon G

5:00 ENFL 169. Multiscale principles to boost reactivity of 2D materials in gas-involving energy electrocatalysis. C. Tang, H. Wang, Q. Zhang

F. Jin, Organizer Y. H. Hu, X. Wang, Organizers, Presiding Z. Yao, Presiding 8:25 ENFL 132. CH4 and CO2 conversion. Y.H. Hu 9:00 ENFL 133. Synergetic conversion of biomass and CO2 by mimicking nature. F. Jin, G. Yao, H. Zhong 9:35 ENFL 134. CO2 hydrogenation to fuel and chemicals. Y. Sun 10:10 Intermission. 10:20 ENFL 135. Acrylic acid production by catalytic dehydration of lactic acid and alkyl lactates over K+exchanged zeolites. B. Xu, Z. Liu 10:55 ENFL 136. Deoxygenation of fatty acids to alkanes in water with Ni catalyst. H. Zhong, C. Jiang, J. Wang, B. Jin, G. Yao, Z. Huo, F. Jin 11:20 ENFL 137. Algae to biodiesel: Research overview. W.D. Seider

Petroleum, Natural Gas, Gas Hydrates & Shale Gas

SECTION B

SECTION F Renaissance Boston Waterfront Pacific Grand Ballroom Salon C

Battery Technology: Vehicle to Grid All-Solid-State Batteries N. Liu, Organizer W. Liu, Organizer, Presiding J. Rupp, Presiding 7:55 Introductory Remarks. 8:00 ENFL 138. Low-cost, large-scale energy storage systems with a mediator-ion solid electrolyte. A. Manthiram 8:30 ENFL 139. When lithium travels in solid state disorder for novel device prototypes to store energy for electric vehicles and emulate data. J. Rupp 9:00 ENFL 140. Interfacial engineering of lithium metal anodes: From liquid to solid electrolytes. N.P. Dasgupta 9:30 ENFL 141. Understanding interfaces in solid state electrolytes for Li ion batteries. A.A. Gewirth, L. Sang, M. Philip 10:00 Intermission. 10:20 ENFL 142. Conformable and self-healing solid state electrolytes for stable lithium metal batteries. W. Liu 10:50 ENFL 143. Designing composite solid electrolyte for lithium batteries with high energy density. Y. Yang 11:20 ENFL 144. Advanced sulfide solid electrolyte with high-voltage stability. X. Li

SECTION G Renaissance Boston Waterfront Pacific Grand Ballroom Salon F

Innovative Chemistry, Materials & Characterizations for Electrochemical Energy Storage Energy Storage Technologies J. Liu, X. Yu, Organizers X. Ji, H. Pan, Organizers, Presiding 7:55 Introductory Remarks. 8:00 ENFL 145. Thoughts on Li metal protection. J. Li 8:30 ENFL 146. Materials integration and optimization for high-energy-density rechargeable lithium metal batteries. J. Liu 9:00 ENFL 147. Li metal anode protection in safe highenergy-density rechargeable batteries. X. Cheng, X. Chen, R. Zhang, C. Zhao, X. Zhang, C. Yan, Q. Zhang 9:30 ENFL 148. Safe lithium metal batteries enabled by asphalt and red phosphorus. T. Wang 9:50 Intermission. 9:55 ENFL 149. Chemical immobilization and conversion of active polysulfides directly by copper current collecter: A new approach to enabling stable room-temperature Li-S and Na-S batteries. J. Lu 10:25 ENFL 150. Surface chemistry in cobalt phosphidestabilized lithium-sulfur batteries. Y. Zhong, L. Yin, P. He, W. Liu, Z. Wu, H. Wang 10:45 ENFL 151. Synergetic pore structure optimization and nitrogen doping of 3D porous graphene for high performance lithium sulfur battery. D. Cheng, T. Fan 11:05 ENFL 152. High capacity, highly reversible lithiumsulfur batteries based on fibrous sulfur/poly(acrylonitrile) cathodes and a catholyte. M. Buchmeiser, M. Frey, S. Warneke, R. Zenn, R. Dinnebier, A. Hintennach 11:25 ENFL 153. Towards high specific energy Li-S batteries: Electrode design and lean electrolyte. Y. Shao, H. Pan, L. Shi, J. Liu

L. Fan, H. Lin, Organizers F. Li, L. Neal, Organizers, Presiding 7:55 Introductory Remarks. 8:00 ENFL 154. Chemical looping for reforming and chemicals. S. Scott 8:40 ENFL 155. Dual column on-line liquid chromatography coupled to ultrahigh resolution 21 T FT-ICR mass spectrometry for the determination of molecular-level changes in petroleum samples. S.M. Rowland, R.P. Rodgers, D.F. Smith, G.T. Blakney, Y. Corilo, C.L. Hendrickson 9:05 ENFL 156. In situ analysis of neat supercritical fluids and binary mixtures of fuel-related compounds under pyrolysis conditions. A.F. Deblase, W.K. Lewis, C.E. Bunker 9:30 ENFL 157. Characterization of sulfur compounds from thermal cracking of petroleum residue on contact catalyst by comprehensive two-dimensional gas chromatography coupled with time-of-flight mass spectrometry. X. Cai, J. Long, S. Tian, Z. Liu, Y. Liu 9:55 Intermission. 10:10 ENFL 158. Metal-organic frameworks for energy efficient separation of hydrocarbon isomers. Z. Gu 10:35 ENFL 159. Deterring effect of resins on the aggregation of asphaltene molecules in n-heptane. M. Derakhshani Molayousefi, M. McCullagh 11:00 ENFL 160. Determination of total fluorine, chlorine, and sulfur in aromatic hydrocarbons by oxidative pyrolytic combustion followed by Ion chromatography (combustion ion chromatography-CIC). S. Patil, J. Rohrer 11:25 ENFL 161. Separation and characterization of polar sulfur-containing compounds in crude oil. L. Ren, Y. Zhang, X. Meng, Q. Shi

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Designing Polymers for Function in Electrochemical Energy Storage Devices Macromolecular Design for Stability, Conductivity & Selectivity Sponsored by PMSE, Cosponsored by ENFL

Analysis of Materials for Energy Storage Sponsored by ANYL, Cosponsored by ENFL

Waste to Product: Biological & Physicochemical Resource Recovery & Efficiency Sponsored by ENVR, Cosponsored by AGRO, ENFL and I&EC

MONDAY AFTERNOON SECTION A Renaissance Boston Waterfront Spectacle

2D Materials: Innovative Materials & Devices for Energy & Fuels L. Hu, Z. Wu, Y. Zhu, Organizers V. Barone, Y. Lin, Organizers, Presiding 1:25 Introductory Remarks. 1:30 ENFL 162. Controlled functionalization of 2D graphitic materials for multifunctional applications. L. Dai 2:05 ENFL 163. Printable two-dimensional nanomaterial inks for electronic and energy applications. M. Hersam 2:40 ENFL 164. Porous, conductive crystals: Expanding the 2D materials library with metal-organic frameworks (MOFs). R.W. Day, M. Dincă 3:05 ENFL 165. Design of low-dimensional nanostructured materials for energy storage applications. X. Li, J. Song, D. Reed, V.L. Sprenkle, Y. Lin, M. Song 3:30 Intermission. 3:35 ENFL 166. Graphene networks and black phosphorous for lithium batteries. W. Ren 4:10 ENFL 167. Graphene and 2D materials for microscale energy storage devices. Z. Wu 4:35 ENFL 168. How to survive in machine learning era: Some recent lessons on 2D materials. Z. Chen

Renaissance Boston Waterfront Pacific Grand Ballroom Salon A

Nanoscience of Energy Storage Mxenes, MOFs, Carbon & Hybrid Materials B. Gurkan, J. L. Schaefer, Organizers, Presiding 1:55 Introductory Remarks. 2:00 ENFL 170. Mechanisms of high-rate electrochemical energy storage in MXenes. T. Mathis, X. Wang, P. Simon, Y. Gogotsi 2:30 ENFL 171. Form factor-free, printed power sources. S. Lee 3:00 ENFL 172. Using polymers and 2D materials to encapsulate ionic liquids for enhanced performance of electrochemical double layer capacitors. Q. Luo, P. Wei, Q. Huang, B. Gurkan, E. Pentzer 3:30 Intermission. 3:45 ENFL 173. Computational discovery of metal-organic frameworks for hydrogen storage: combining highthroughput screening, machine learning, and experimental demonstration. D. Siegel 4:15 ENFL 174. Metal organic frameworks (MOFs) derived nanostructures for electrochemical energy storage. Y. Zhu 4:45 ENFL 175. Enhanced carbon dioxide uptake and kinetics in tailored nanohybrid system. S. Jeong, P.J. Milner, J. Urban

SECTION C Renaissance Boston Waterfront Pacific Grand Ballroom Salon D

Energy & Fuels Storch Award in Fuel Science: Symposium in honor of Andrew Herring Cosponsored by PROF R. E. Winans, Organizer L. F. Greenlee, Organizer, Presiding 1:55 ENFL 176. Catalytic fast pyrolysis for chemicals and materials. M.R. Nimlos, N. Wilson, C. Kinchin, C. Mukarakate 2:25 ENFL 177. Pyrolysis bio-oil: Standardized analytical methods enable new insights in research and processing. J. Ferrell, S.K. Black, E. Christensen, M.V. Olarte, A.B. Padmaperuma, R.M. Connatser 2:55 ENFL 178. Oxidation stability of bio-derived gasoline blendstocks: Novel oxidation chemistry for alkyl furans and cyclopentanone. R.L. McCormick, E. Christensen, G.M. Fioroni, S. Kim, R. Paton 3:25 ENFL 179. Atomistic representations of coal, char, co*ke, and soot: similar challenges of scale and partial ordering. J.P. Mathews 3:55 Intermission. 4:00 ENFL 180. Mechanistic investigation into the formation of polycyclic aromatic hydrocarbons from the pyrolysis of plant hydrocarbons. P.F. Britt, M. Kidder, A.C. Buchanan 4:30 ENFL 181. Toward sustainable transportation. A.L. Boehman 5:00 ENFL 182. Spectroscopic probes for molecularlevel identification and optimization of adsorption sites. A.D. Lueking 5:30 ENFL 183. Illuminating catalysis with X-ray scattering and spectroscopy. R.E. Winans, S. Lee, S. Lee, T. Li

SECTION D Renaissance Boston Waterfront Pacific Grand Ballroom Salon E

Sustainable Energy Conversion via Innovative Electrocatalysis & Photocatalysis F. Jiao, Y. Shao, G. Wu, Organizers, Presiding 1:55 ENFL 184. Earth-abundant materials as electrocatalysts for clean energy applications. R.E. Schaak 2:35 ENFL 185. Tuning cooperative electrocatalysis at nanocrystals surfaces and interfaces. S. Zhang 3:05 ENFL 186. Catalyst design by scanning probe block copolymer lithography. L. Huang, Y. Yu, C.A. Mirkin, Y. Kang 3:35 ENFL 187. Atomically dispersed electrocatalysts. C. Cui 4:05 Intermission. 4:15 ENFL 188. Direct observation of atomically dispersed catalysts for oxygen reduction. D. Cullen, K. More 4:55 ENFL 189. Carbon-rich electrocatalysts by design and nanostructure engineering. X. Feng

155

TECHNICAL PROGRAM

USA-China Symposium on Energy CO2 Conversion, Biomass, Coal & C1

TECHNICAL PROGRAM

ENFL 5:25 ENFL 190. From carbon-based nanotubes to nanocages for advanced energy conversion and storage. Z. Hu

SECTION E Renaissance Boston Waterfront Pacific Grand Ballroom Salon B

USA-China Symposium on Energy CO2 Conversion, Biomass, Coal & C1 F. Jin, Organizer Y. H. Hu, X. Wang, Organizers, Presiding Z. Yao, Presiding 1:55 ENFL 191. Cleaner coal applications. C. Wei 2:30 ENFL 192. Efficiently direct hydrogenation of microalgae (Chlorococcum sp.) into 1,2-propanediol and ethylene glycol over Ni based catalyst in water. L. Kong, G. Miao, Y. Zan, Y. Sun, Y. Sun 2:55 Intermission. 3:05 ENFL 193. Optical dilatometry of synthetic coal ash and slag cones. P.Y. Hsieh 3:25 ENFL 194. Preparation of Ni/ZrO2 catalyst with enhanced activity and co*ke resistance for CO methanation. X. Jia, C. Liu 3:45 ENFL 195. Mechanism of selective and nonselective oxidation in La2O3-catalyzed oxidative coupling of methane reaction. S. Li

SECTION F Renaissance Boston Waterfront Pacific Grand Ballroom Salon C

Battery Technology: Vehicle to Grid Sodium Systems & Advanced Characterizations N. Liu, W. Liu, Organizers V. Augustyn, W. Li, Presiding 1:55 Introductory Remarks. 2:00 ENFL 196. Layered transition metal oxides for aqueous sodium ion intercalation. V. Augustyn 2:30 ENFL 197. Deciphering the cathode–electrolyte interfacial chemistry to stabilize sodium layered cathode materials. L. Mu, D. Nordlund, H. Xin, F. Lin 3:00 ENFL 198. Catalyzing the charging process in Li-O2 batteries using lithium halides. G. Leverick, M. Tulodziecki, R. Tatara, S. Feng, Y. Shao-Horn 3:20 Intermission. 3:40 ENFL 199. Recent progress and prospects of nextgeneration redox flow batteries. G. Yu 4:10 ENFL 200. Tactical tunings of the electrode-electrolyte interface in enabling highly stable sodium metal anode. W. Li, H. Wang, C. Wang 4:40 ENFL 201. TiO2 inverse opals as sodium-ion battery anodes. Y. Xu 5:10 ENFL 202. Cryo-electron microscopy for battery materials. Y. Li, Y. Cui

SECTION G Renaissance Boston Waterfront Pacific Grand Ballroom Salon F

Innovative Chemistry, Materials & Characterizations for Electrochemical Energy Storage Electrode Materials & Architectures X. Ji, J. Liu, X. Yu, Organizers H. Pan, Organizer, Presiding K. R. Zavadil, Presiding 1:55 ENFL 203. Computational studies of solubilities of lithium polysulfides and reaction mechanisms in Li/S batteries. L. Cheng, L.A. Curtiss, R. Surendran Assary, B. Narayanan 2:25 ENFL 204. Ion-solvent interactions and their impact on electrolytes for Mg-based energy storage. K.R. Zavadil, N. Hahn, T. Seguin, K. Persson, K. Lau, C. Liao, B. Ingram 2:55 ENFL 205. Magnesium perfluoroalkoxyaluminate as high-voltage Mg electrolytes. K. Lau, T. Seguin, N. Hahn, E. Carino, J. Connell, B. Ingram, K. Persson, K.R. Zavadil, C. Liao 3:15 ENFL 206. Polyoxometalate-based molecular cathodes for rechargeable magnesium-ion batteries. H.K. Henry, S. Lee 3:35 Intermission. 3:55 ENFL 207. Innovative metal-sulfide cathode active material for aluminum-ion batteries. Y. Hu 4:15 ENFL 208. Zn spinels as high-voltage and highcapacity cathode material for non-aqueous Zn-ion batteries. A.A. Gewirth, C. Pan

156

4:45 ENFL 209. Hierarchically designed 3D holey C2N aerogels as bifunctional oxygen electrodes for flexible and rechargeable Zn-air batteries. S. Shinde, D. Kim, J. Lee 5:05 ENFL 210. Highly reversible reactions in neutral aqueous Zn battery systems. H. Pan, Y. Shao, B. Li, J. Liu

SECTION H Renaissance Boston Waterfront Pacific Grand Ballroom Salon G

Novel Catalytic Materials Developments for Fuel Generation & Energy Storage M. C. Beard, J. Gu, F. Lin, Organizers A. B. Bocarsly, Y. Yan, Organizers, Presiding 1:25 Introductory Remarks. 1:30 ENFL 211. Challenges in photoelectrochemical water splitting. J.A. Turner 2:00 ENFL 212. Activating basal plane of MoS2 for hydrogen evolution reaction through sulfur vacancy, doping and strain. X. Zheng 2:30 ENFL 213. Photoreduction of water and CO2 using 1D and 2D semiconductor/metal nanoheterostructures. T. Lian 3:00 ENFL 214. Utilization of hot excitons in semiconductor nanostructures for solar photoconversion to photovoltaics and solar fuels. A.J. Nozik, M.C. Beard 3:30 Intermission. 3:45 ENFL 215. Solar products. D.G. Nocera 4:15 ENFL 216. Microbial photo-assisted energy conversion for hydrogen generation and wastewater cleaning. J. Gu, W. Vakki, L. Lu, J. Ren 4:35 ENFL 217. Ultrathin 2D photocatalytic materials for organic transformations coupled with H2 evolution. Y. Sun 4:55 ENFL 218. Catalytic materials for the making of renewable fuels and chemicals. I. Chorkendorff

SECTION I Boston Convention & Exhibition Center Exhibit Hall B2/C

Nanomaterials used in Energy & Fuels T. Atesin, Y. Zhang, Organizers 3:00 – 5:00 ENFL 219. Au nanoparticles decorated Co with smooth and fiber-shaped structures as electrocatalysts for glucose electro-oxidation. A. Zabielaite, D. Upskuviene, B. Simkunaite-Stanyniene, L. Tamasauskaite-Tamasiunaite, E. Norkus ENFL 220. Facile synthesis of nitrogen-doped micro/ mesoporous carbons as sulfur host for advanced lithiumsulfur batteries. A. Abdelkader, A.A. Alzharani, K.M. Ashraf, H.M. El-Kaderi ENFL 221. Photocatalytic reactivity of nanocomposite to decompose the antibiotics using simulated solar energy. C. Li, R. Hu, J.L. Liu ENFL 222. Novel graphene based support for phase change materials. A. Li, G. Wang, H. Gao ENFL 223. Rational design of oxide/carbon composite to achieve superior rate capability via enhanced lithium ion transport across carbon to oxide. K. Kim, J. Jeong, Y. Choi, Y. Kim ENFL 224. Multimodal porous carbon derived from ionic liquids as supercapacitor electrode. J. Jeong, K. Kim ENFL 225. Electrochemical phase transformation of anatase TiO2 to magneli Ti6O11 for potassium ion battery. G. Lee, Y. Kim, J. Jeong, K. Kim ENFL 226. Effect of nanocarbons of different dimensions on electrochemical properties of NaTi2(PO4)3@C microsphere composites for high-performance sodium-ion batteries. H. Roh, G. Lee, B. Park, Y. Choi, K. Kim ENFL 227. Silicon diphosphide-CNT composite anode material for high-performance Li-ion batteries. B. Park, H. Roh, S. Haghighat-Shishavan, H. Choi, K. Kim ENFL 228. New method of characterizing intrinsic coal combustion behavior with TG. Y. Zhang ENFL 229. Synthesis of SnO2/nanoperforated graphene microball to analyze the effects of nanoperforation under SnO2 on lithium-ion storage performance. Y. Choi, J. Jeong, Y. Kim, K. Kim ENFL 230. Design and synthesis of porosity and polarity controlled N-doped and Fe-N-doped carbons for oxygen reduction reaction. H. Kim, M. Kang, W. Yoo ENFL 231. Unexpected finding of pore blockage & local graphitization of Si@C yolk-shell structure during magnesiothermic reduction. M. Kang, H. Kim, W. Yoo ENFL 232. Three-dimensional hierarchical structure NiCo2O4@NiO on carbon cloth for supercapacitor with excellent cycle stability. Y. Ouyang, X. Xia, W. Lei, Q. Hao

ENFL 233. Supramolecular synthesis of porous C3N4 for high-efficiency photocatalytic H2 evolution and CO2 reduction. S. Wan, M. Ou, Q. Zhong ENFL 234. Investigation of decomposition in lead halide perovskites via in-situ absorption spectroscopy and grazing incidence wide angle x-ray scattering. S. Kundu, T. Kelly ENFL 235. Transition metal-tin modified beta zeolite catalyst for the conversion of miscanthus into lactic acid. M. Xia, Z. Shen, Y. Zhang, X. Zhou ENFL 236. Control of the properties of two-dimensional perovskites with long-chain alkylamines (II): Effect of classification of amines. H. Nagasaka, M. Fujita, Y. Takeoka, M. Rikukawa ENFL 237. Well-decorated graphene tube @ graphene microsphere hybrid for supercapacitors. Y. Kim, M.N. Samani, K. Kim, S. Choi ENFL 238. Chemical strategies for enhanced oxygen reduction reaction activity in ultrathin Pt nanowires supported by functionalized carbon nanotubes. L. Li, H. Liu, L. Wang, S. Yue, X. Tong, T. Zaliznyak, G. Taylor, S.S. Wong ENFL 239. Designed fabrication of hierarchical and porous nanostructures for energy storage and conversion. T. Zhu ENFL 240. Nano-needle forest of nickel-cobalt sulfide for efficient multifunctional energy generation and storage. C. Zequine, S.D. Bhoyate, C. Zhang, K.S. Siam, P.K. Kahol, R. Gupta ENFL 241. Fe-Ni sulfides as an efficient and flexible bifunctional electrocatalyst for overall water splitting. C. Zhao, C. Zhang, K.S. Siam, P.K. Kahol, R. Gupta ENFL 242. Multi-functional high-performance cobalt-based materials for energy generation and storage devices. M. Altammar, S.D. Bhoyate, C. Zhang, K.S. Siam, P.K. Kahol, R. Gupta ENFL 243. Catalytic conversion of biomass to value added chemicals and fuels. A.D. Lalsare, J. Hu ENFL 244. Molecular dynamics simulation of quaternary ammonium polycation exchange membrane fuel cell: Nanophase-segregated structure and transport properties. M. White, S. Burch, S. Jang ENFL 245. Synthesis of various metallic ultrathin nanowires for catalytic applications. A. Scida, L. Li, C. Qin, S.S. Wong ENFL 246. Metal oxides as fullerene replacements in hybrid organic-inorganic solar cells. M. Laitz, C. Dengiz, S. Lin, T.M. Swager, V. Bulovic ENFL 247. Estimation of characteristic curvature (Cc) of anionic surfactants for use in enhanced oil recovery (EOR). W. Chanachichalermwong, U. Suriyapraphadilok, A. Charoensaeng ENFL 248. Surface-modified Li4Ti5O12 anode materials for lithium-ion batteries assisted by in-situ halogen gas. Y. Cho, D. Han ENFL 249. Probing the electrocatalytic behavior of zigzag edges in holey graphene nanoplatelets. Q. Li, K. Savaram, M. Li, K. Tajima, K. Takai, T. Hayashi, E.L. Garfunkel, V. Osipov, H. He ENFL 250. Local mass transport and product selectivity of electrochemical CO2 reduction with gold nanopillar arrays. B.A. Zhang, T. Ozel, J.S. Elias, C. Costentin, D.G. Nocera ENFL 251. PdCu alloy nanocatalysts for fuel cell reactions: A study of nanostructure-activity relationship. Z. Wu, K. Park, T. Wong, S. Shan, N. Kang, J. Wang, J. Luo, V. Petkov, L. Wang, C. Zhong ENFL 252. Preparation and characterization of platinumcopper alloy nanowire catalysts with dendritic and (111)-dominant facets for oxygen reduction reaction. Z. Kong, Z. Wu, S. Shan, S. Yan, J. Luo, G. Yu, C. Zhong ENFL 253. Graphene aerogel supported platinum and ruthenium electrocatalyst for unitized regenerative fuel cell. J. Luo, W. Chen, R. Deng, K. Yeung ENFL 254. Phthalocyanine tethered iron phthalocyanine on graphitized carbon black as superior electrocatalyst for oxygen reduction reaction. Z. Zhang, F. Wang ENFL 255. One-step conversion from Ni/Fe polyphthalocyanine to N-doped carbon supported Ni-Fe nanoparticles for highly efficient water splitting. F. Wang, Z. Zhang ENFL 256. Towards high-performance biomass-derived electrocatalysts for oxygen reduction reaction: Inducing atomic-level reconstruction of Fe-N4 site for atomically dispersed Fe/N-doped hierarchically porous carbon. H. Li, Z. Zhang, M. Dou, F. Wang ENFL 257. Potassium compound-assistant synthesis of multi-heteroatom doped porous carbon nanosheets for high performance supercapacitors. M. Liu, F. Wang, Z. Zhang, M. Dou, J. Niu ENFL 258. Design Co–doped reduced graphene oxide nanocomposite and its application for supercapacitor electrode. X. Mao, J. Xu

ENFL 285. Noble metal free Co-Sn-Sx chalcogel hybrids for high performance hydrogen evolution. D. Kim, S. Shinde, J. Lee ENFL 286. Understanding the roles of p-block dopants in carbonaceous electrocatalysts for oxygen reduction reaction: the relationship between catalytic activity and work function. H. Shin, S. Park, Y. Sung ENFL 287. Direct observation of cathodic reaction in lithiumoxygen battery by in situ liquid phase transmission electron microscopy. D. Lee ENFL 288. Evolution of the graphite crystal and electronic structure during operation as a positive electrode in dual intercalation lithium ion systems. J.G. Lapping, J. Cabana, J.A. Read ENFL 289. High performance supercapacitor electrode material from immiscible PAN/6FDA-DABA polymer blends. S. Panangala, C. Karunaweera, J.P. Ferraris ENFL 290. Microwave-enabled scalable fabrication of holey graphene nanoplatelets and their catalysis in reductive hydrogen atom transfer reactions. K. Savaram, M. Li, K. Tajima, K. Takai, T. Hayashi, G.S. Hall, E.L. Garfunkel, V. Osipov, H. He ENFL 291. Microwave assisted carbon combustion for scalable fabrication of holey graphene nanoplatelets and their application in electrochemical generation of H2O2. K. Savaram, A. Panich, J. Yang, M. Li, Z. Huma, E.L. Garfunkel, M. Chhowalla, A. Shames, H. He ENFL 292. Probing the catalytic activity of Pd on porous carbon supports doped with phosphorus of different bond configurations. J. McQuade, K. Savaram, H. He, H. Yang, M.A. Patel, A. Khoshi, Q. Li, E. Garfunkel ENFL 293. In situ fabrication of formamide lead bromide nanocrystals embedded porous PVDF nanocomposite films with enhanced piezoelectric and photosensitive performance. S.K. Si ENFL 294. Enhanced surface area and binderless electrodes derived from PAN using citric acid as a porogen for high performance supercapacitors. R. Jayawickramage, J.P. Ferraris ENFL 295. Novel one step microwave assisted fabrication of Sn4P3 @ phosphorous doped carbon as a superior anode material for sodium ion batteries. K. Savaram, X. Fan, H. Yang, B. Li, M. Modi, T. Gao, E.L. Garfunkel, C. Wang, H. He ENFL 296. Optimizing the use of single-walled carbon nanotube as electrolytes for dye-sensitized solar cell applications. T. Hemraj-Benny, K. Urena, R.A. Sumner, M. Begliarbekov, V. Narang, J.F. Wishart, S.I. Lall-Ramnarine ENFL 297. Carbon nanofiber formation from supercritical carbon dioxide extraction tar/PAN via electrospinning. X. He, F. Liu, M. Tang, M. Fan, T. Wang ENFL 298. Adsorption of monolayer films of imidazole on MgO (100) and graphite: A neutron scattering and molecular modeling investigation. C.A. Crain, D. Paradiso, N.A. Strange, Z. Stroupe, F. Wahida, J.Z. Larese

Ion Transport at the Nanoscale: Research & Capabilities at the DOE’s Nano Centers Sponsored by PRES, Cosponsored by ANYL, COLL, COMSCI, ENFL, ENVR, GEOC and SCHB

Thermochemical & Biochemical Conversions of Biomass to Biofuels & Biomaterials for Energy & Environmental Applications Thermochemical & Biochemical Processes Sponsored by ENVR, Cosponsored by CATL, CELL, ENFL and I&EC

Designing Polymers for Function in Electrochemical Energy Storage Devices Dynamic Aspects of Macromolecular Structure & Function Sponsored by PMSE, Cosponsored by ENFL

Analysis of Materials for Energy Storage Sponsored by ANYL, Cosponsored by ENFL

MONDAY EVENING SECTION A Boston Convention & Exhibition Center Exhibit Hall B2/C

Sci-Mix J. L. Liu, Organizer 8:00 – 10:00 10, 16, 18, 24, 27-28, 30, 51, 57, 69, 75, 81, 98, 102-103, 151, 161, 198, 202, 222, 224-226, 229-230, 234, 238, 243246, 249, 250, 252. See previous listings.

304, 310, 357, 359-360, 363-364, 369-370, 402, 405, 407, 423, 429, 447, 470, 479, 500, 529, 530-531, 553. See subsequent listings.

TUESDAY MORNING SECTION A Renaissance Boston Waterfront Brewster

Biomass to Energy, Chemicals & Functional Materials R. Huang, Organizer M. A. Carreon, H. Zhou, Organizers, Presiding 7:55 Introductory Remarks. 8:00 ENFL 299. Catalytic fast pyrolysis of pine with ZSM-5 in a spouted bed reactor: Effects of temperature and vapor concentration on catalyst deactivation. A. Starace, E.O. Romero, V.S. Bharadwaj, B. Pecha, P.N. Ciesielski, C. Mukarakate 8:20 ENFL 300. Upgrading of rice straw catalytic pyrolysis oil via single stage esterification/hydrodeoxygenation. M. Jamshidi 8:40 ENFL 301. Role of cellulose and lignin in catalyst deactivation during catalytic fast pyrolysis over HZSM-5. K. Lisa, A. Stanton, C. Mukarakate, M.R. Nimlos 9:00 ENFL 302. Insight into the synergism of catalytic co-pyrolysis of deuterated glucose and PP by tracing the hydrogen transfer. J. Xue, Z. Jiankun, D. Zhang, Q. Yao 9:20 Intermission. 9:35 ENFL 303. High purity H2 production from hemicellulose with carbon capture via alkaline thermal treatment in the presence of group I & group II hydroxides and a Ni/ZrO2 catalyst. K. Zhang, W. Kim, Z. Wang, A.A. Park 9:55 ENFL 304. Comparison of chicken-litter waste and rice husk pyrolysis under concentrated solar radiation. H. Weldekidan, V. Strezov, T. Kan, G. Town 10:15 ENFL 305. Modeling structure and fast pyrolysis of biomass. W. Li, R. Mabon, A.Y. McKay, X. Zhou, L.D. Dellon, L.J. Broadbelt 10:35 ENFL 306. Pyrolysis of polycarbonate-based polymer waste into useful chemical products. M.N. Siddiqui, H.H. Redhwi, D. Achilias

SECTION B Renaissance Boston Waterfront Pacific Grand Ballroom Salon A

Nanomaterials & Nanotechnology in Oil & Gas Industry C. Huh, Organizer S. Chang, M. Poitzsch, W. Wang, Organizers, Presiding 7:55 Introductory Remarks. 8:00 ENFL 307. Engineered nanoparticles for oilfield applications: Recent advances. V. Khabashesku, O. Kuznetsov, D. Agrawal, S. Murugesan, R. Suresh, R. Dolog, M. Vasilyev 8:30 ENFL 308. Improving fluid catalytic cracking performance using heat generating materials. M.P. Kaminsky, W. Xu, O. Ali, Y. Hussein, S. Shaikh 8:50 ENFL 309. Study of thermal stability and rheological properties of silica nanoparticle-stabilized microemulsions for enhanced oil recovery. I. Kim, V. Sergeev 9:10 ENFL 310. Highly steam stable covalent bonded amine modified carbon nanotubes for CO2 capture. Z. Zhou, K.J. Stowers 9:30 Intermission. 9:50 ENFL 311. Colloidal stability and transport of polysaccharide-coated magnetic nanoparticles. R. Shi, H. Ow, A.A. Kmetz, H. Chen, J. Cox 10:10 ENFL 312. Calcium-mediated adhesion in high salinity reservoir fluids. S.L. Eichmann, H. Chen, N. Burnham 10:30 ENFL 313. Enhanced methanol-to-olefins catalysis: Synthesis and applications of nano-sized, sheet-like and hierarchical SAPO-34 zeolites. D. Jiajia, L. Hongxing, X. Zaiku, Y. Weimin 10:50 ENFL 314. Transport of reservoir nanoagents into dead pores under phoretic drivers. M. Kanj

SECTION C Renaissance Boston Waterfront Pacific Grand Ballroom Salon D

Energy & Fuels Storch Award in Fuel Science: Symposium in honor of Andrew Herring Cosponsored by PROF R. E. Winans, Organizer L. F. Greenlee, Organizer, Presiding

157

TECHNICAL PROGRAM

ENFL 259. Biodegradable, electro-active chitin nanofiber films for flexible piezoelectric transducers. K. Kim, H. Ko, J. Jin, S.J. Kang ENFL 260. Contorted polycyclic aromatic hydrocarbon: Application as lithium ion host electrode. J. Park, S. Kwak, S. Ahn, S.J. Kang ENFL 261. Acoustic properties of different distribution in hydrate-bearing sediments. L. Ren, Y. Qi, J. Chen, C. Sun, G. Chen ENFL 262. Atomic-level insight into oxygen adsorption on (hkl) platinum surfaces and implications for the reactivity in the oxygen reduction reaction. S. Wang, E. Zhu, Y. Huang, H. Heinz ENFL 263. One-step conversion from core-shell metalorganic framework materials to cobalt and nitrogen co-doped carbon nano-polyhedra with hierarchically porous structure for highly efficient oxygen reduction. M. Dou, Z. Hu, F. Wang ENFL 264. Study the hydrogen production mechanism of the multilayer core-shell MoS2/CdS nanorods by the femtosecond transient absorption spectroscopy. L. Du, Z. Yan, D.L. Phillips ENFL 265. Petroleum generation and expulsion characteristics of source rock. Y. Zhang, Y. Wang, Q. Shi ENFL 266. Effects of mass transport and metal in N-doped carbon for oxygen reduction reaction. S. Park, H. Shin, Y. Sung ENFL 267. Constructing high-efficiency MoO3/polyimide hybrid photocatalyst based on strong interfacial interaction. C. Ma, J. Zhou, H. Zhu, Y. Wang, Z. Zou ENFL 268. Synthetic design of a cellulose based nanocomposite anode to enhance the electron transfer of microbial fuel cells. J.E. Lambert, N.E. Yuede, A.D. Dunne, J.J. Keleher ENFL 269. One-pot solution combustion synthesis of copper vanadates and their comparative analysis as photoanodes. M.K. Hossain ENFL 270. Effect of pH on foams stabilized by nanoparticles for enhanced oil recovery using caboxylate-based extended surfactants. P. Rattanaudom, A. Charoensaeng, U. Suriyapraphadilok, B.J. Shiau ENFL 271. Optimal middle phase microemulsion in foam and surfactant flooding. S. Tantipalakul, U. Suriyapraphadilok, A. Charoensaeng, B.J. Shiau ENFL 272. Environmentally friendly surfactant systems for enhanced oil recovery (EOR) in high brine condition. T. Jamprakhon, A. Charoensaeng, U. Suriyapraphadilok, B.J. Shiau ENFL 273. High surface area carbon adsorbents from furfurylamine-based polybenzoxazine for carbon dioxide adsorption: Effect of carbonization temperature. T. Vongtiang, U. Suriyapraphadilok, T. Chaisuwan ENFL 274. Molecular dynamics simulations of the formation of methane hydrates with poly(N-vinylpyrrolidone). L. Cheng, J. Cui, B. Liu ENFL 275. Fabrication of metallic porous electrodes for redox batteries. A. Forner-Cuenca, N. Linares, K. Greco, F. Brushett, J. Garcia Martinez ENFL 276. Hybrid titania-based multilayered photoelectrode for superior low temperature dye-sensitized solar cells. E. Serrano, Á. Sepúlveda, E. Lalinde, J. Berenguer, R. Costa, J. Garcia Martinez ENFL 277. Volume expansion of CO2 + hydrocarbon components. X. Wu, H. Qin, B. Liu, G. Chen ENFL 278. Hierarchically organized and self-ordered TiO2-SiO2-Sulfur (Ti-Si-SUL) nanomaterial by hydrothermal process for high performance supercapacitor and hydrogen generation applications. K. Jena, S. Al Hassan ENFL 279. High-power stacked micro energy storage device based on imprinted three-dimensional microelectrodes. W. Li, T.L. Christiansen, C. Li, Y. Zhou, H. Fei, A. Mamakhel, B.B. Iversen, J.J. Watkins ENFL 280. Recovering methane from quartz sand-bearing hydrate by inhibitor using interval and continuous injection mode. Y. Xie, Y. Wang, Y. Li, Z. Li, C. Sun, G. Chen ENFL 281. Solar-driven hydrogenation of CO2 by mesoporous black TiO2 supported isolated Au and Pd NPs. L. Jin, J. He ENFL 282. Synthesis and characterization of indoloindolebased p-type conjugated molecules. H. Kang, D. Kim, K. Choi, S. Hong, S. Park, J. Kwon, S.Y. Park, B. An ENFL 283. Main chain of proton exchange membrane having excellent thermal stability and chemical stability via atom transfer radical polymerization. X. Li, Y. Zhao, S. Wang, X. Xie ENFL 284. Surface reactivity of 2D molybdenum carbide. T. Zhang, Y. Zheng, Y. Dong, P.H. McBreen

TECHNICAL PROGRAM

ENFL 7:55 Introductory Remarks. 8:00 ENFL 315. Norbornene based multiblock anion conducting membranes. P. Kohl, M. Mandal, G. Huang 8:30 ENFL 316. New ion-exchange membranes derived from polyketone. V. Di Noto, K. Vezzu’, F. Bertasi, E. Negro, G. Cavinato 9:00 ENFL 317. Anion exchange membranes based on polyolefin backbones. M.A. Yandrasits, E.H. Fort, C. Laskowski, T. Gillard, Z.R. Owczarczyk, B.S. Pivovar 9:30 ENFL 318. Polymer membranes: Designing next generation separators and transport mediators for energy generating devices. E.B. Coughlin 10:00 Intermission. 10:05 ENFL 319. Development of perfluorinated anion exchange membranes for energy conversion devices. B.S. Pivovar, D. Strasser, H. Long, A. Neyerling, Z.R. Owczarczyk 10:35 ENFL 320. Ionomer thin films in catalyst layers. A. Kusoglu 11:05 ENFL 321. Novel liquid-like nanoscale hybrid materials with tunable chemical and physical properties as dual-purpose reactive media for combined carbon capture and conversion. M. Gao, T.G. Feric, A.A. Park 11:30 ENFL 322. High-temperature alkaline waer electrolysis. H. Xu

SECTION D Renaissance Boston Waterfront Pacific Grand Ballroom Salon E

Sustainable Energy Conversion via Innovative Electrocatalysis & Photocatalysis F. Jiao, Y. Shao, G. Wu, Organizers, Presiding 7:55 Introductory Remarks. 8:00 ENFL 323. Coupling solar energy into catalytic CO2 conversion. Y. Xiong 8:30 ENFL 324. Theoretical investigations in CO2 electrochemical reduction. K. Chan 8:50 ENFL 325. Earth-abundant transition metal electrocatalysts for selective CO2 reduction in water. H. Wang 9:10 ENFL 326. 2D bismuth nanostructures for electrocatalytic CO2 reduction to formate. Y. Li 9:40 Intermission. 9:55 ENFL 327. Investigating CO-electrolysis as a path to feasibility for electrochemical reduction of CO2 to valueadded intermediates. P.J. Kenis 10:25 ENFL 328. Quantum mechanics based reaction mechanisms for electrocatalysis on systems for sustainability. W.A. Goddard 11:00 ENFL 329. Carbon monoxide gas diffusion electrolysis. M. Kanan 11:30 ENFL 330. Chemically tunable, all-inorganic-based novel 0D-1D heterostructures for white-light emitting applications. S. Yue, Y. Zhou, S. Zou, L. Wang, H. Liu, S.S. Wong

SECTION E Renaissance Boston Waterfront Pacific Grand Ballroom Salon B

USA-China Symposium on Energy Solar, Photocatalysis & Electrocatalysis Y. H. Hu, F. Jin, X. Wang, Organizers, Presiding 8:25 ENFL 331. Trimetallic NiFeMo for overall electrochemical water splitting with a low cell voltage. J. Bao, F. Qin, Z. Zhao, M. Alam, Y. Ni, F. Robles-Hernandez, L. Yu, S. Chen, Z. Ren, Z. Wang 8:50 ENFL 332. Synthesis of size and shape-controlled nanocrystals for photocatalysis and electrocatalysis. C.B. Murray, J.D. Lee, M. Cargnello, S. Zhang, N. Gogotsi, J.B. Baxter, K.C. Elbert, V.V. Doan-Nguyen 9:25 ENFL 333. Solar energy applications: From heavy metals towards metal-free. D. Ma 10:00 Intermission. 10:10 ENFL 334. Surface stabilized organo-metal halide perovskite quantum dots and films for solar energy conversion and LED applications. J.Z. Zhang 10:45 ENFL 335. Semiconductor heterojunctions for solar water splitting. N. Wu 11:20 ENFL 336. Photocatalytic conversion of glucose into formate. B. Jin, G. Yao, H. Zhong, X. Wang, F. Jin 11:40 ENFL 337. Understanding the dynamics of excited states in energy materials. A.V. Akimov

SECTION F Renaissance Boston Waterfront Spectacle

158

Novel Catalytic Materials Frontier Catalysts Progress

9:40 ENFL 356. High specific capacitance pseudocapacitance electrodes based on core-shell carbon @ copper sulfides networks composed of interconnected spherical nanopaticles. X. He, J. Xu, X. Mao, W. Yang, Y. Yang 10:05 Intermission. 10:15 ENFL 357. Imprinted three-dimensional lithiumion microbattery with supercapacitor-like power density. W. Li, T.L. Christiansen, C. Li, Y. Zhou, H. Fei, A. Mamakhel, B.B. Iversen, J.J. Watkins 10:45 ENFL 358. Tunnel manganese oxide nanowires as battery electrodes. E. Pomerantseva

M. C. Beard, A. B. Bocarsly, Y. Yan, Organizers J. Gu, F. Lin, Organizers, Presiding 8:25 Introductory Remarks. 8:30 ENFL 338. Copper-free metallic catalysts for the reduction of CO2 to a broad spectrum of organic products. A.B. Bocarsly, A. Paris, S. Francis 9:00 ENFL 339. Nano-structured photocatalysts for nitrogen and carbon dioxide reduction. J. Huang 9:20 ENFL 340. Metal organic framework catalysts: Opportunities and challenges. S. Lin, A.J. Morris 9:40 ENFL 341. Converting CO2 into something useful. C.P. Berlinguette 10:10 Intermission. 10:20 ENFL 342. Catalytic materials for artificial photosynthesis. C. Li 10:50 ENFL 343. Understanding and engineering surface electrons for electrocatalysis. Y. Liu 11:10 ENFL 344. Photocatalytic NADH-analog systems for fuel-forming reactions. K. Glusac 11:40 ENFL 345. Two-dimensional gold honeycomb superstructure. X. Wu, Z. Quan

Thermochemical & Biochemical Conversions of Biomass to Biofuels & Biomaterials for Energy & Environmental Applications Hydrogen, Biofuels & Biomass Upgrading

SECTION G

SECTION A

Renaissance Boston Waterfront Pacific Grand Ballroom Salon C

Innovative Chemistry, Materials & Characterizations for Electrochemical Energy Storage Electrode Materials & Architectures J. Liu, H. Pan, X. Yu, Organizers X. Ji, Organizer, Presiding G. P. Demopoulos, Presiding 7:55 ENFL 346. Some new considerations of topochemistry for batteries beyond lithium. X. Ji 8:25 ENFL 347. Model cation hosts for energy storage: Using synthetic control to elucidate the impact of composition, defects, and crystallite size for tunnel structured materials. K.J. Takeuchi, A.C. Marschilok, E.S. Takeuchi 8:45 ENFL 348. Crystal engineering energy storage into 3D architectures. D.R. Rolison, M.D. Donakowski, M.B. Sassin, J.M. Wallace, K.W. Chapman, C.N. Chervin, A.N. Mansour, J.W. Long 9:05 Intermission. 9:25 ENFL 349. Nanocrystal engineering of lithium iron orthosilicate cathodes for improved reversible-stable storage and rate capability. G.P. Demopoulos, Y. Zeng, M. Rasool, H. Wei, H. Chiu, R. Gauvin, J. Zhou, K. Zaghib 9:55 ENFL 350. Computational study of LiNi0.5Mn1.5O4 spinel surface properties including transition metals dissolution. N. Intan, K. Klyukin, V. Alexandrov 10:15 ENFL 351. Changes in electronic structure upon Li deintercalation from LiCoPO4 derivatives. J.G. Lapping, S.A. Delp, J. Allen, J.L. Allen, J.W. Freeland, M. Johannes, L. Hu, D.T. Tran, R. Jow, J. Cabana 10:35 ENFL 352. Understanding the formation of the truncated morphology of high-voltage spinel LiNi0.5Mn1.5O4 via direct atomic-level structural observations. L. Ben, B. Chen, X. Huang 10:55 ENFL 353. Evaluation of electrolyte additives on gas formation and electrochemical performance in high voltage lithium-ion batteries with Ni-rich NMC cathodes. C. Mao, R. Ruther, Z. Li, T. Christensen

SECTION H Renaissance Boston Waterfront Atlantic Ballroom 1

Nanoscience of Energy Storage Multifunctional Materials for Supercapacitors, Pseudocapacitors & Batteries J. L. Schaefer, Organizer B. Gurkan, Organizer, Presiding 8:25 Introductory Remarks. 8:30 ENFL 354. Expressing battery-like and pseudocapacitive charge storage in MnOx@carbon electrode architectures via control of nanocrystalline oxide structure and electrolyte composition. J.W. Long, J.S. Ko, M.B. Sassin, J.F. Parker, D.R. Rolison 9:10 ENFL 355. High power and high energy density carbon nanotube/transition metal oxide nanoarchitectures via electrodeposition. V. Augustyn

Sponsored by ENVR, Cosponsored by CATL, CELL, ENFL and I&EC

Advanced Materials for Energy & the Environment: Design, Fabrication & Application Sponsored by ENVR, Cosponsored by CEI and ENFL

TUESDAY AFTERNOON Renaissance Boston Waterfront Brewster

Biomass to Energy, Chemicals & Functional Materials R. Huang, Organizer M. A. Carreon, H. Zhou, Organizers, Presiding 1:55 Introductory Remarks. 2:00 ENFL 359. Biomass conversion using boronic acids: Efficient transformation of carbohydrates into furanics. B. Graham, R.T. Raines 2:20 ENFL 360. Identification and quantification of phenolic monomers (chemicals) from the alkali lignin (biomass) using gas chromatography mass-spectrometry (GC-MS). B. Jadhav, D.E. Raynie 2:40 ENFL 361. Synthesis of high-density jet fuels using lignocellulose-derived feedstocks. G. Nie, J. Zou, L. Pan, X. Zhang 3:00 ENFL 362. Mechanism study of production of cyclohexanol/cyclohexanone from lignin-derived guaiacol catalyzed by palladium on high-surface-area ceria at mild conditions. H. Zhou, P. Naik, I.I. Slowing, A.D. Sadow 3:20 Intermission. 3:35 ENFL 363. Biorefinery lignin valorization through carbon-hydrogen activation (CHA) using transition-metal catalysts. E.C. Zuleta Suarez, J.J. Bozell 3:55 ENFL 364. Effect of a ring-and-puck mill on the two-step oxidative lignin deconstruction approach. Z. Fang, M.S. Meier, J.K. Mobley

SECTION B Renaissance Boston Waterfront Pacific Grand Ballroom Salon A

Nanomaterials & Nanotechnology in Oil & Gas Industry C. Huh, Organizer S. Chang, M. Poitzsch, W. Wang, Organizers, Presiding 1:55 Introductory Remarks. 2:00 ENFL 365. hom*ogeneous nanocomposite membranes with improved properties in natural gas processing. B.J. Sundell, K. Zhang, W.S. Chi, D.J. Harrigan, Z.P. Smith 2:50 ENFL 366. Silica assisted polymer flooding to enhance residual oil recovery. R. Saha, R.V. Uppaluri, P. Tiwari 3:10 ENFL 367. Drilling fluids comprising graphene derivatives to enhance particulate suspension under high temperature and pressure. A. Santra 3:30 Intermission. 3:50 ENFL 368. Nanocomposite coating of Saudi sand for fracturing applications. M.H. Haque, M. Sayed, R. Saini 4:10 ENFL 369. Probing metal-organic framework (MOF) design for adsorptive natural gas purification. J.N. Joshi, G. Zhu, J. Lee, E.A. Carter, C.W. Jones, R.P. Lively, K.S. Walton 4:30 ENFL 370. Highly stable scCO2-high salinity brine interface for waterless fracturing using polyelectrolyte complex nanoparticles. H. Hosseini, J. Tsau, E.F. Peltier, R. Barati Ghahfarokhi 4:50 Concluding Remarks.

SECTION C Renaissance Boston Waterfront Pacific Grand Ballroom Salon D

Cosponsored by PROF L. F. Greenlee, Organizer R. E. Winans, Organizer, Presiding 1:00 ENFL 371. Benchmarking materials for water splitting: Making appropriate comparisons. K.E. Ayers 1:25 ENFL 372. Biomolecular approaches to electrode engineering: Facilitating electrochemical production of renewable fuels. J. Renner, L.F. Greenlee, K.E. Ayers, Z. Su, C. Loney 1:50 ENFL 373. Photoelectrochemical CO2 reduction at plasmonic nanostructured silver electrodes. E.B. Creel, E.R. Corson, Y. Kim, D. Perez, M. Liu, J. Urban, R. Kostecki, B.D. McCloskey 2:15 ENFL 374. Transport phenomena in redox-flow-battery separators. A.Z. Weber 2:40 ENFL 375. Role of interfacial phenomena in gas hydrate energy applications. C.A. Koh, E. Brown, J.A. Dapena, S. Liu, A.A. Majid, D.C. Salmin, L. Zerpa 3:05 Intermission. 3:10 ENFL 376. Advanced materials opportunities in redox flow batteries. M.L. Perry 3:35 ENFL 377. From hydrogen containment to electrical energy storage. G.P. Pez, A.M. Herring 4:00 ENFL 378. Iron and manganese mediated heteroatom rebound catalysis. J.T. Groves 4:25 ENFL 379. Converting fuels to electrical energy and electrical energy to fuels, enabled by advancements in polymer electrolyte membranes. A.M. Herring

SECTION D Renaissance Boston Waterfront Pacific Grand Ballroom Salon E

Sustainable Energy Conversion via Innovative Electrocatalysis & Photocatalysis F. Jiao, Y. Shao, G. Wu, Organizers, Presiding 1:55 ENFL 380. Effect of stoichiometry and architectural expression on the activity of oxygen reduction and evolution electrocatalysts. D.R. Rolison, J.S. Ko, C.N. Chervin, M.N. Vila, P.A. DeSario, J.F. Parker, J.W. Long 2:35 ENFL 381. Carbon-based catalysts for oxygen reduction and oxygen evolution reactions in acidic media. U.S. Ozkan 3:15 ENFL 382. Electronic and structural engineering of active sites for efficient non-precious metal electrocatalysts. J. Hu 3:45 Intermission. 3:55 ENFL 383. Identification of active species and mechanisms in non-precious metal oxygen reduction catalysts. A.A. Gewirth, J. Varnell 4:35 ENFL 384. Atomically dispersed iron catalysts for oxygen reduction in acids. G. Wu 5:05 ENFL 385. Covalent organic polymers for electrocatalysis. Z. Xiang 5:35 ENFL 386. Charge transfer capacity as screening rule of electrocatalysts in charge reactions of Li-O2 batteries. J. Liu

SECTION E Renaissance Boston Waterfront Pacific Grand Ballroom Salon B

USA-China Symposium on Energy Solar, Photocatalysis & Electrocatalysis Y. H. Hu, F. Jin, X. Wang, Organizers, Presiding Z. Yao, Presiding 1:55 ENFL 387. Soft x-ray spectroscopic studies of interfacial electronic structure in small molecule organic solar cells. K.E. Smith, T. Jones, S. Cho, L. Piper, N. Beaumont 2:30 ENFL 388. Ultrafast carrier dynamics in kesterite and perovskite photovoltaic absorber materials. J.B. Baxter 2:55 ENFL 389. Structural modulation and surface chemistry in photocatalysis. C. Wang, R. Hailili 3:30 Intermission. 3:40 ENFL 390. Solving the lead halide perovskite puzzle. X. Zhu 4:15 ENFL 391. Organic materials for applications in energy science. C.P. Nuckolls 4:50 ENFL 392. Electrocatalysis at buried interfaces. D.V. Esposito

SECTION F Renaissance Boston Waterfront Spectacle

Novel Catalytic Materials Frontier Catalysts Progress Cosponsored by CATL A. B. Bocarsly, J. Gu, F. Lin, Organizers M. C. Beard, Y. Yan, Organizers, Presiding 1:25 Introductory Remarks. 1:30 ENFL 393. Mechanisms of CO2 reduction in quantum dot-porphyrin complexes and superstructures. E.A. Weiss, S. Lian, J. Hong, L. Chen 2:00 ENFL 394. Lead-halide perovskites for photocatalytic organic synthesis. Y. Yan 2:30 ENFL 395. Nano-catalytic C-H activation and oxidative cross-coupling. A. Lei 3:00 ENFL 396. Photocatalysis with colloidal semiconductor quantum dots: teaching an old dot new tricks. T.D. Krauss, R. Burke, J. Caputo, N. Cogan, L. Frenette, F. Qiu, C. Liu, K.L. Sowers, D. Weix 3:30 Intermission. 3:40 ENFL 397. Photoredox catalysis strategies for complex molecules. C. Stephenson 4:10 ENFL 398. High theoretical conversion efficiencies using tandem cells that employ carrier multiplication for photochemical water splitting applications. M.C. Beard 4:40 ENFL 399. Plasmonic imaging technique for highthroughput OER catalytic material screening. X. Shan, X. Yang 5:00 ENFL 400. Structural and mechanistic aspects of CO2 electroreduction on N-doped carbon electrodes. D. Hursan, A. Samu, C. Janaky

SECTION G Renaissance Boston Waterfront Pacific Grand Ballroom Salon C

Innovative Chemistry, Materials & Characterizations for Electrochemical Energy Storage Electrode Materials & Architectures J. Liu, H. Pan, X. Yu, Organizers X. Ji, Organizer, Presiding X. Yang, Presiding 1:25 ENFL 401. High-throughput ab-initio screening of electrolytes for Ni-rich oxide materials in Li-ion batteries. D. Kim, I. Park, Y. Kang, M. Koh 1:45 ENFL 402. Multi-scale chemical microscopy of reaction inhom*ogeneities in LiNi0.8Co0.15Al0.05O2 cathode primary particles. M.F. Wolfman, Y. Yu, B.M. May, Z.W. LebensHiggins, S. Sallis, N. Faenza, N. Pereira, N. Shirato, V. Rose, D.A. Shapiro, G. Amatucci, L. Piper 2:05 ENFL 403. Optimization of aqueous Ni-rich NMC cathode formulation for improved electrochemical performance. M. Wood, Z. Du, J. Li, D.L. Wood 2:25 ENFL 404. Simple method for molecular level modification of Ni-rich layered oxide cathode for lithiumion batteries using metal-organic frameworks. J. Park, C. Byungjin, P. Kwangjin, K. Lee, S. Park, J. Park, H. Han 2:45 Intermission. 3:05 ENFL 405. Preparation of mesocarbon microbead (MCMB) from low temperature coal tar pitch and its supercritical fluid extraction fractions. Z. Dekai 3:25 ENFL 406. Direct operando quantification of active components (de)lithiation ratios in silicon/graphite composite high-capacity anodes for Li-ion batteries. K.P. Yao, K. Kalaga, J. Okasinski, J. Almer, D. Abraham 3:55 ENFL 407. Facile synthesis of Si@void@C nanofibers using a self-powered electrospinning system as anodes for lithium-ion batteries. Y. Han, S. Xu 4:15 ENFL 408. Silicon nanoparticle surface modification for lithium-ion battery. S. Jiang, B. Hu, L. Zhang, B. Zhao, Z. Zhang

SECTION H Renaissance Boston Waterfront Atlantic Ballroom 1

2018 Energy & Fuels Joint Award for Excellence in Publication: Symposium in honor of Fateme Rezaei Cosponsored by PROF and WCC‡ D. Dadyburjor, E. B. Fox, Organizers M. Kidder, Organizer, Presiding 1:20 Introductory Remarks. 1:30 ENFL 409. Cerium dioxide catalyst nanorods decorated three-dimensional nitrogen doped and reduced graphene oxide electrodes for Li-air batteries. A. Tasdemir, E. Bicer, S. Gursel, A. Yurum 2:00 ENFL 410. 3D-printed monolithic adsorbents for CO2 capture applications. H. Thakkar, F. Rezaei, A. Rownaghi

2:30 ENFL 411. Zwitterionic copolymers for next-generation membranes for treating complex wastewater streams. A. Asatekin 3:00 Intermission. 3:10 ENFL 412. Engineering porous polymer hollow fiber microfluidic reactors for sustainable chemical transformation. A.A. Rownaghi, H. YingXin 3:40 ENFL 413. Tuning catalytic material design of zeolites and mesoporous materials to increase catalytic selectivity. N.A. Brunelli, N. Deshpande, M. Whitaker, A. Parulkar 4:10 ENFL 414. Carbon supported nanoparticles used to improve fuel cells performance. S. Wang, V. Li, J.L. Liu 4:30 ENFL 415. MOF-GO hybrid nanocomposite adsorbents for methane storage. F. Rezaei 5:15 Concluding Remarks.

Thermochemical & Biochemical Conversions of Biomass to Biofuels & Biomaterials for Energy & Environmental Applications Biochars & Renewable Carbons Sponsored by ENVR, Cosponsored by CATL, CELL, ENFL and I&EC

Advanced Materials for Energy & the Environment: Design, Fabrication & Application Sponsored by ENVR, Cosponsored by CEI and ENFL

WEDNESDAY MORNING SECTION A Renaissance Boston Waterfront Brewster

Biomass to Energy, Chemicals & Functional Materials H. Zhou, Organizer M. A. Carreon, R. Huang, Organizers, Presiding 7:55 Introductory Remarks. 8:00 ENFL 416. Heteroatomic jet fuel components: Lichen substances as fuel component and potential additives. P. Sharma 8:20 ENFL 417. Chemometric analysis of hydrocarbon reference materials for certification as aircraft fuels. D.A. Sheen, W. Rocha 8:40 ENFL 418. Biodiesel production from cooking oil in intensified contactors. P. Angeli, D. Tsaoulidis 9:00 ENFL 419. Ethers derived from biobased carboxylic acids as a blendstock for diesel fuel. N.A. Huq, X. Huo, P. St. John, S. Kim, R.L. McCormick, D. Vardon 9:20 Intermission. 9:35 ENFL 420. Quality characteristics of automotive diesel with ethanol and butanol blends. D. Karonis, I. Zahos-Siagos 9:55 ENFL 421. Filling the technical and economic gap between cellulosic ethanol and corn ethanol by dry biorefining technology. J. Bao 10:15 ENFL 422. Integrated biorefinery concept for conversion of sugar beet pulp into fuels and value-added chemicals. G. Lye 10:35 ENFL 423. Conversion of solid waste to diesel via catalytic pressure-less depolymerization: Pilot scale production and detailed compositional characterization. P.P. Plehiers, A. Gonzalez-Quiroga, M. Djokic, K. Van Geem, G.B. Marin

SECTION B Renaissance Boston Waterfront Pacific Grand Ballroom Salon A

Nanomaterials & Nanotechnology in Oil & Gas Industry C. Huh, Organizer S. Chang, M. Poitzsch, W. Wang, Organizers, Presiding 7:55 Introductory Remarks. 8:00 ENFL 424. Overview of the advanced energy consortium for oilfield nanotechnology. D.T. Chapman 8:30 ENFL 425. Noble vanadium core-shell catalysts for methane oxidation to formaldehyde. K. An 8:50 ENFL 426. Mitigation of condensate and water blockage in gas reservoirs using surface modified nanoparticles. M. Sayed, H. Ow, F. Liang 9:10 ENFL 427. Enhanced PAM polymer gels using zirconium hydroxide nanoparticles for water shutoff at high temperatures. A. Fathima, A. Almohsin, M.A. Bataweel, E.H. Alsharaeh 9:30 Intermission. 9:50 ENFL 428. Functional swellable elastomers for oilfield applications. H. Tu

159

TECHNICAL PROGRAM

Energy & Fuels Storch Award in Fuel Science: Symposium in honor of Andrew Herring

TECHNICAL PROGRAM

ENFL 10:20 ENFL 429. Experimental study of spontaneous imbibition by using modified nanopyroxene for enhanced oil recovery in sandstones cores at various temperatures. S. Farad, T.L. Montoya, N. Nassar, G. Vitale 10:40 ENFL 430. Application of cellulosic nanocrystals (CNC) for fluid diversion in heterogeneous carbonate reservoirs. O. Wani, M. Shoaib, S. Al Hassan 11:00 Concluding Remarks.

SECTION C Renaissance Boston Waterfront Pacific Grand Ballroom Salon D

International Symposium on Mesoporous Zeolites J. Garcia Martinez, K. Li, Organizers M. Ostraat, Presiding 8:20 Introductory Remarks. 8:30 ENFL 431. Development of catalytic processes through fundamental understanding of the structure and chemistry of porous catalysts. M. Stockenhuber 9:20 ENFL 432. Unexpected long walks in hierarchical porous materials with combined surface and configurational diffusion. W. Fan 10:10 Intermission. 10:30 ENFL 433. Preparation pathways of hierarchical zeolites: A comparative discussion. W. Schwieger, A. Machoke, T. Weißenberger, A. Inayat, M. Hartmann 11:20 ENFL 434. Efficient and stable mesoporous zeolitesupported metal catalysts. F. Xiao 12:00 Concluding Remarks.

11:05 ENFL 449. Effect of nitrogen medium concentration on cell growth and lipid composition of Nannochloris eucaryotum. E. Legaard, J.K. Gerardi, T. Sultana, B.C. Eigenbrodt 11:25 ENFL 450. Stabilities of biodiesel derived from rubber seed oil. J. Fu, S.Q. Turn, P. Le 11:45 ENFL 451. Synthesis of alumina-silica from rice husk ash as catalyst in hydrodeoxygenation of rubber seed oil to green diesel. T. Tran, P. Le 12:05 Concluding Remarks.

SECTION F Renaissance Boston Waterfront Spectacle

Novel Catalytic Materials Developments for Fuel Generation & Energy Storage

F. Jiao, Y. Shao, G. Wu, Organizers, Presiding 7:55 ENFL 435. Fundamental aspects of regenerative hydrogen electrocatalysis in alkaline pH. S. Mukerjee, Q. Jia 8:35 ENFL 436. Oxygen electro-adsorption on oxides shows evidence for scaling relations and insights for oxygenevolution catalyst design. D. Kuo, J. Nelson, H. Paik, K. Shen, D. Schlom, J. Suntivich 9:05 ENFL 437. Electrocatalytic and photoelectrochemical water splitting using earth-abundant catalysts. S. Jin 9:35 ENFL 438. Mechanistic studies of OER on gold electrode by interfacial specific vibrational spectroscopy. F. Gerke, M. Wolf, R.K. Campen, Y. Tong 10:05 Intermission. 10:15 ENFL 439. Recent development of high-performance ternary oxide electrocatalysts for oxygen evolution reaction. H. Yang 10:55 ENFL 440. Catalysts and processes for hydrogen production. Y.H. Hu 11:25 ENFL 441. Insights into SrIrO3-based perovskite oxides as highly efficient oxygen evolution reaction catalysts in acidic electrolytes. Z. Feng

M. C. Beard, A. B. Bocarsly, Y. Yan, Organizers J. Gu, F. Lin, Organizers, Presiding 7:55 Introductory Remarks. 8:00 ENFL 452. Isolated Ni single atoms in graphene matrices for high-performance CO2 reduction. K. Jiang, H. Wang 8:20 ENFL 453. AIE-active rhenium(I) complexes: Photophysics and application for efficiently photocatalytic reduction of CO2. X. Zhu, Y. Lin, Y. Sun, Y. Yan 8:40 ENFL 454. Solution-processable polymer photocatalysts for hydrogen evolution from water. D. Woods, R. Sprick, A.I. Cooper 9:00 ENFL 455. Molecular design and development of novel efficient non-mercury catalysts for acetylene hydrochlorination. Y. Han, Y. Wang, Y. Nian, S. Shang, J. Zhang 9:20 ENFL 456. Isomerization performance of n-alkanes over nano-platinum/SAPO-11 catalyst. S. Gao, Z. Zhao, Y. Liu, S. Hu, A. Duan, F. Sun, K. Chi, M. Tan, W. Zhang 9:40 ENFL 457. Enhancement of catalytic activity of oxygen carrier Mg6MnO8-x via tuning oxygen vacancies during chemical looping processes. C. Zhou, D.S. Baser, S.G. Nadgouda, L. Qin, J.A. Fan, L. Fan 10:00 Intermission. 10:15 ENFL 458. Bioinspired oxygen reduction using metallopolymers containing multi-Cu(II) active sites. L. Jin, S. Thanneeru, J. He 10:35 ENFL 459. Highly active and selective catalyst for selective hydrogenation: Boron-doped graphene nanosheetssupported Pt. Z. Yao, M. Hu, X. Wang 10:55 ENFL 460. Direct growth of nitrided carbon supported ultrasmall AuPd bimetallic nanoparticles with enhanced electrocatalytic activity towards ethanol oxidation. Y. Yang, L. Jin, B. Liu, P. Kerns, J. He 11:15 ENFL 461. PtSn nanocatalysts supported on hollow silica sphere for acetic acid hydrogenation: Effect of nitrogen dopant. J. Zhou, Y. Zhao, J. Zhang, Y. Wang, O.Y. Gutiérrez, S. Wang, Z. Li, P. Jin, S. Wang, X. Ma, J.A. Lercher 11:35 ENFL 462. Functional carbo-catalysts for selective production of advanced fuels. B. Saha, S. Dutta, D. Gupta

SECTION E

SECTION G

Renaissance Boston Waterfront Pacific Grand Ballroom Salon B

Renaissance Boston Waterfront Pacific Grand Ballroom Salon C

Sustainable Bioenergy Production

Innovative Chemistry, Materials & Characterizations for Electrochemical Energy Storage Electrode Materials & Architectures

SECTION D Renaissance Boston Waterfront Pacific Grand Ballroom Salon E

Sustainable Energy Conversion via Innovative Electrocatalysis & Photocatalysis

P. Le, Organizer X. Fang, J. Fu, J. P. Smith, B. Yoza, Organizers, Presiding 8:25 Introductory Remarks. 8:30 ENFL 442. Factors influencing the electrochemical reduction of CO2 on Cu. A.T. Bell 8:50 ENFL 443. Challenges and countermeasures of biomass in the transition of energy and chemical industry. X. Fang 9:10 ENFL 444. Levels of trace metals and polynuclear aromatic hydrocarbons (PAHs) in Nigerian coal and coal smoke. P.O. Ogbuagu 9:30 ENFL 445. Regional supply chain analysis for alternative jet fuel production in the tropics. S.Q. Turn, R.M. Ogoshi, W. Chan, J. Fu, T. Morgan 9:50 ENFL 446. Novel seaweed conversion to H2 with suppressed CO2 formation via catalytic alkaline thermal treatment with integrated carbon capture. W. Kim, K. Zhang, A.A. Park 10:10 Intermission. 10:25 ENFL 447. Determining kinetic parameters of hydrogen abstraction from novel biofuel candidates through automated transition state theory calculations. N. Harms, R.H. West 10:45 ENFL 448. Ultrasound-assisted interesterification of non-edible mixed oil feedstock with heterogeneous catalyst. R.S. Malani, S. Pradhan, A. Goyal, V. Moholkar

160

X. Ji, J. Liu, X. Yu, Organizers H. Pan, Organizer, Presiding E. S. Takeuchi, Presiding 7:55 ENFL 463. Innovating materials for sodium-ion electrodes: Pathways to progress. N.E. Drewett, E.C. Gonzalo, N. Orrtiz-Vitoriano, P. Sánchez-Fontecoba, B. Orayech, D. Saurel, T. Rojo 8:25 ENFL 464. Development of new materials for Na-ion batteries. Y. Hu 8:55 ENFL 465. Reversible hysteresis phenomenon in sodium ion batteries. X. Li 9:15 ENFL 466. Analysis and deliberate modification of the solid electrolyte interphase (SEI): Impact on electrochemistry. E.S. Takeuchi, A.C. Marschilok, K.J. Takeuchi 9:45 Intermission. 10:05 ENFL 467. Kinetics-controlled degradation reactions at LiPON/Li(x)CoO(2) and LiPON/Li-metal interfaces. K. Leung, A. Pearse, A.A. Talin, E.J. Fuller, G. Rubloff, N.A. Modine 10:25 ENFL 468. Functional energy storage devices for smart integrated systems. X. Feng

10:55 ENFL 469. Polymer/molecular sieve hybrid flexible membrane with enhanced thermal and wetting properties for high-performance lithium-ion batteries. J. Zhang, Q. Zhang, X. Zhan, F. Chen 11:15 ENFL 470. Exfoliated graphite sheet with superior supercapacitive performance. R. Tamgadge, A. Shukla

SECTION H Renaissance Boston Waterfront Pacific Grand Ballroom Salon F

Nanoscience of Energy Storage Materials for Magnesium Batteries B. Gurkan, Organizer J. L. Schaefer, Organizer, Presiding 8:55 Introductory Remarks. 9:00 ENFL 471. Decoupling electrolyte anion and solvent effects in magnesium electrodeposition for rechargeable batteries. K.R. Zavadil, N. Hahn, N.N. Rajput, K. Persson, V. Murugesan 9:30 ENFL 472. Electrolyte additives for rechargeable magnesium battery design. N. Sa, B. Basanty, Y. Ren, J.T. Vaughey 10:00 ENFL 473. Magnesium deposition from sulfone-ether electrolytes. L.C. Merrill, J.L. Schaefer 10:30 Intermission. 10:45 ENFL 474. Cycling, failing, and protection of alkaline metal electrodes for high energy rechargeable batteries. H. Wang 11:15 ENFL 475. Stabilizing Mg/S rechargeable batteries using nano-structured additives. Y. Bi, J. Luo, B. Hu, T. Liu 11:45 ENFL 476. Influence of conductive polymer surface layers on nanostructured MnO2 cathodes for magnesium batteries. E. Sahadeo, H.K. Henry, S. Lee

Catalysis for Environmental & Energy Applications Sponsored by ENVR, Cosponsored by CATL, CELL, ENFL and I&EC

Electrical/Electrochemical Technologies for Environmental Applications Sponsored by ENVR, Cosponsored by ENFL

Advanced Materials for Energy & the Environment: Design, Fabrication & Application Sponsored by ENVR, Cosponsored by CEI and ENFL

WEDNESDAY AFTERNOON SECTION A Renaissance Boston Waterfront Brewster

Biomass to Energy, Chemicals & Functional Materials M. A. Carreon, Organizer R. Huang, H. Zhou, Organizers, Presiding 1:55 Introductory Remarks. 2:00 ENFL 477. Electrochemical characterization of agricultural feedstocks for renewable biobased products. S.M. Uchimiya 2:20 ENFL 478. Impact of TMP on membrane fouling in microalgae harvesting with a uniform shearing vibration membrane system. S. Jiang, Y. Zhang, F. Zhao, Z. Yu, X. Zhou, H. Chu 2:40 ENFL 479. Demonstration and evaluation of integrated microalgae systems for biofuel production. Y. Li, S. Leow, T. Dong, L.M. Laurens, P.T. Pienkos, J. Guest, T.J. Strathmann 3:00 ENFL 480. CaFe2O4 oxygen carrier characterization during the partial oxidation of coal in the chemical looping gasification application. D.D. Miller, R.V. Siriwardane 3:20 Intermission. 3:35 ENFL 481. Preparation of biochar with covalent chloride and micro-mesopores structure for elemental mercury removal from simulated flue gas. X. Zhang, Q. Shi, B. Shen 3:55 ENFL 482. Investigation on the mechanism of oxygen uncoupling in chemical looping processes by the DFT calculation. S. Liu, Y. Cao 4:15 ENFL 483. Emission of aldehydes, ketones, and polyaromatic hydrocarbons pollutants from the combustion of liquid fuels blended with bio and synthetic fuels. P. Dagaut, R. Shahla 4:35 ENFL 484. Quantum molecular modeling of autoignition of biofuels. M.R. Nimlos, L. Bu, S. Kim, T. Foust

SECTION B Renaissance Boston Waterfront Pacific Grand Ballroom Salon A

Cosponsored by ANYL and COLL S. Bashir, Organizer Y. Yu, Organizer, Presiding 1:20 Introductory Remarks. 1:25 ENFL 485. Application of chemical spectrometry in the mechanistic characterization of development nanomaterials on fingerprint detection. P. Villarreal, J.L. Liu, S. Bashir 2:00 ENFL 486. Artificial photosynthesis: From nano to microbes. C. Liu 2:25 ENFL 487. SrTaO2N nanowire photoanode modified with a ferrihydrite hole-storage layer. A. Slabon 2:50 ENFL 488. Glycomic and proteomic changes in aging brain nigrostriatal pathway. R. Raghunathan, N. Polinski, J. Klein, J. Hogan, C. Shao, K. Khatri, D. Leon, M.E. McComb, F. Manfredsson, C.E. Sortwell, J. Zaia 3:15 Intermission. 3:25 ENFL 489. Application of mass spectrometry in the mechanistic characterization of key enzymes in ergothioneine and ovothiol biosynthesis. P. Liu, L. Chen, N. Naowarojna, H. Song, S. Wang, C. Zhao 3:50 ENFL 490. Multifaceted mass spectrometric investigation of neuropeptidomic changes in decapod crustaceans after exposure to silver nanoparticles. L. Li, Z. Li, C. Ouyang 4:15 ENFL 491. Application of swab touch spray ionization mass spectrometry for the analysis of forensic samples including organic gunshot residue and explosives. R. Bain, P.W. Fedick 4:40 ENFL 492. Imaging steroids in tissue by mass spectrometry: Challenges and opportunities. R. Andrew 5:05 Concluding Remarks.

SECTION C Renaissance Boston Waterfront Pacific Grand Ballroom Salon D

International Symposium on Mesoporous Zeolites J. Garcia Martinez, K. Li, Organizers M. Stockenhuber, Presiding 1:25 Introductory Remarks. 1:30 ENFL 493. Designing hierarchical zeolites: Scalable, sustainable, and economical. M. Ostraat 2:20 ENFL 494. Crystalline molecular sieve membranes for Kr/Xe separation. M.A. Carreon, T. Wu, J. Lucero, S.K. Elsaidi, P.K. Thallapally, Z. Zong 3:00 Intermission. 3:20 ENFL 495. π-π Interaction of aromatic groups in amphiphilic molecules directing for highly ordered mesoporous zeolite. S. Che, D. Xu, B. Singh, X. Shen, Y. Zhang, L. Han 4:10 ENFL 496. Wrinkled mesoporous silica coated nanoparticles. J. Lin, K.J. Balkus 4:50 Concluding Remarks.

SECTION D Renaissance Boston Waterfront Pacific Grand Ballroom Salon E

Sustainable Energy Conversion via Innovative Electrocatalysis & Photocatalysis F. Jiao, Y. Shao, G. Wu, Organizers, Presiding 1:30 ENFL 497. Biofuel cells based on novel photoelectrochemical catalysis. Y. Yan 2:00 ENFL 498. Identifying factors controlling the activity and selectivity of the electrochemical hydrogenation of aldehydes. M. Nguyen, D.C. Cantu, M. Lee, S. Akhade, V. Glezakou, R. Rousseau 2:30 ENFL 499. Electrodeposited Co-Mo-P for superior hydrogen evolution reaction in alkaline medium. A. Thenuwara, L. Dheer, N. Attanayake, Q. Yan, U. Waghmare, D.R. Strongin 2:50 ENFL 500. Organic ligands enhance the recombination lifetime and photoelectrochemical performance of biosynthesized CdS nanoparticle thin films. Y. Feng, J. Huang, E. Ngaboyamahina, K. Marusak, J.T. Glass, M. Mikkelsen, S. Zauscher 3:10 Intermission. 3:20 ENFL 501. Reaction networks and mechanisms in electrocatalytic hydrogenation of oxygenated compounds. O.Y. Gutierrez Tinoco, U. Sanyal, L. Meyer, J. Holladay, J. Lercher 3:50 ENFL 502. Dynamics of charge transfer in fuel forming reactions. X. Chen

4:10 ENFL 503. Active sites on both basal planes and edges of NiFe layered double hydroxide oxygen evolution electrocatalysts. H. Sheng, L. Dang, S. Jin 4:30 ENFL 504. Selective CO2 electroreduction to ethylene at an abrupt interface. C. Dinh, E. Sargent 4:50 ENFL 505. Electrocatalytic reduction of gaseous CO2 with a bipolar membrane-based electrolyzer and combinatorial screening of ternary and quaternary alloy catalysts. Z. Yan, Y. Li, L. Zhu, M.A. Hickner, R.J. Wycisk, P.N. Pintauro, T.E. Mallouk

SECTION E Renaissance Boston Waterfront Pacific Grand Ballroom Salon B

Perovskite Solar Cell & Water Splitting for Efficient Hydrogen Generation J. L. Liu, Organizer Q. Zhen, Organizer, Presiding J. Kang, Presiding 1:55 Introductory Remarks. 2:00 ENFL 506. From thermopower waves to asymmetric chemical doping – New concepts in energy storage and generation using molecular interactions with single-walled carbon nanotubes. A.T. Liu, Y. Kunai, A. Cottrill, M. Strano 2:30 ENFL 507. Operation, electrical polarization, and optical response of perovskite solar cells. J. Bisquert 3:00 ENFL 508. Enhancing performance and stability of Pb-Sn alloyed perovskite solar cells via triple-cation and double-halide. G. Tosado, Y. Lin, E. Zheng, Q. Yu 3:30 Intermission. 3:45 ENFL 509. Earth-abundant tungsten–nickel alloy electrocatalyst for superior hydrogen evolution. J. Nsanzimana, W. Xin, V. Reddu 4:15 ENFL 510. Earth-abundant metal nitrides as hole transport materials for perovskites solar cells. J. Kang, Y. Son, J. Kang, J. Jeong, Y. Sung 4:45 ENFL 511. Room-temperature synthesis of nitride nanocatalysts for electrochemical oxygen evolution reaction. J. Kang, H. Shin, S. Park, M. Lee, Y. Sung

SECTION F Renaissance Boston Waterfront Spectacle

Novel Catalytic Materials M. C. Beard, A. B. Bocarsly, F. Lin, Organizers J. Gu, Y. Yan, Organizers, Presiding 1:25 Introductory Remarks. 1:30 ENFL 512. Enhanced stability of black-Si photoelectrode for hydrogen evolution via dual oxide layer protection. F. Yang, J. Gu 1:50 ENFL 513. Design and optimization of highperforming hydrogen evolution electrocatalysts using the M13 bacteriophage. W. Records, Y. Yoon, J. Ohmura, A.M. Belcher 2:10 ENFL 514. (LiNa)2CO3-GDC nanocomposite electroceramic membranes for hybrid solid oxide fuel cells. I. Khan, S. Basu 2:30 ENFL 515. General and efficient photocatalytic coupling of aryl/alkyl halides with carboxylic acids through the merger of perovskite and nickel(II) complex. X. Zhu, Y. Yan 2:50 ENFL 516. Overcoming site heterogeneity in search of metal nanocatalysts for oxygen reduction. S. Wang, H. Xin

SECTION G Renaissance Boston Waterfront Pacific Grand Ballroom Salon C

Innovative Chemistry, Materials & Characterizations for Electrochemical Energy Storage Electrode Materials & Architectures X. Ji, J. Liu, X. Yu, Organizers H. Pan, Organizer, Presiding S. G. Greenbaum, X. Yang, Presiding 1:55 ENFL 517. Solid state NMR investigation of non-polyether polymer electrolyte for Li metal battery. S.G. Greenbaum, S. Munoz, M. Gobet, S. Lai, C. Mallia, M. Zimmerman, R. Leising 2:25 ENFL 518. Single crystal NMR study of LiFexMn1-xPO4. D. Morales, P. Stallworth, L. Cirrincione, S.G. Greenbaum, Y. Janssen, P. Khalifah 2:45 ENFL 519. Solid-state NMR studies on highperformance Li/Na cathode materials. X. Li, Y. Hu 3:05 ENFL 520. Operando AFM reveals mechanics of pseudocapacitive energy storage in tungsten oxides. V. Augustyn 3:25 Intermission.

3:45 ENFL 521. Using synchrotron X-ray and neutron based scattering and TXM imaging techniques to study the new cathode materials for batteries. X. Yang, E. Hu, S. Bak, X. Yu, X. Huang, M. Ge, Y. Chu, Z. Shadike, R. Lin, H. Lee, Y. Guo, Y. Liu 4:15 ENFL 522. Operando XRF mapping and μ-XANES of a Cu-containing Bi-birnessite cathode for high density, low-cost aqueous batteries. J. Gallaway, G. Yadav, D. Turney, S. Banerjee, Y. Chen-Wiegart, G. Williams, J. Thieme 4:35 ENFL 523. Developing plasmonic imaging technique to understand battery solid electrolyte interface formation in-situ. X. Shan, C. Yang 4:55 ENFL 524. Effects of salt concentration on microstructure and SEI formation in hard carbons: An operando SANS and XPS study. C.J. Jafta, C.A. Bridges, X. Sun, G. Veith, P.P. Paranthaman, S. Dai

SECTION H Renaissance Boston Waterfront Pacific Grand Ballroom Salon F

Nanoscience of Energy Storage Electrolytes: Structure, Dynamics & Performance B. Gurkan, J. L. Schaefer, Organizers, Presiding 1:55 Introductory Remarks. 2:00 ENFL 525. Bulk and double layer properties of solventin-salt electrolytes and ionic liquids from molecular dynamics simulations. O. Borodin, J. Vatamanu, X. Ren 2:30 ENFL 526. Modeling the effects of ionic liquid mixtures on electrochemical capacitor performance. A. Fang, A. Smolyanitsky 2:50 ENFL 527. In-operando mesoscale 3D visualization of ion transport in battery electrolyte. Y. Yang

Electrical/Electrochemical Technologies for Environmental Applications Sponsored by ENVR, Cosponsored by ENFL

Advanced Materials for Energy & the Environment: Design, Fabrication & Application Sponsored by ENVR, Cosponsored by CEI and ENFL

THURSDAY MORNING SECTION A Renaissance Boston Waterfront Mediterranean

Nanoscaled Electrocatalysts used in Fuel Cells & Hybrid Vehicles V. I. Birss, Organizer V. Li, Organizer, Presiding L. Tamasauskaite-Tamasiunaite, Presiding 8:25 Introductory Remarks. 8:30 ENFL 528. Microwave-assisted synthesis of graphene supported PtCoM (M = Mn, Ru, Mo) catalysts for low temperature fuel cells. L. Tamasauskaite-Tamasiunaite, T. Kilmonis, A. Balciunaite, J. Jablonskiene, J. Vaiciuniene, E. Norkus 9:00 ENFL 529. Molybdenum and Cobalt doped SrFe1-xMxO3 and Ca2Fe2-xMxO5 cathode for low and intermediate temperature solid oxide fuel cell. B. Baijnath, P.K. Tiwari, S. Basu 9:30 ENFL 530. Gram-scale production of active and stable octahedral PtNi@Pt nanoparticles for proton exchange membrane fuel cell. J. Choi, H. Lee 10:00 Intermission. 10:10 ENFL 531. Carbon nano-onions synthesized by laser pyrolysis as catalyst support in proton exchange membrane fuel cells. J. Yeon, I. Choi, M. Choi 10:40 ENFL 532. Bulk preparation of layered MoS2-N-doped carbon nanosheet composite by salt-assisted method for a stable and fast sodium-ion battery anode. J. Zhang, Y. Zhang 11:10 ENFL 533. Graphene quantum dots decorated iron oxide and halloysite nanotubes for high performance supercapacitor. A.B. Ganganboina, R. Doong 11:40 Concluding Remarks.

SECTION B Renaissance Boston Waterfront Pacific Grand Ballroom Salon A

Peter Derrick Memorial Symposium: Nanomaterials & Safe Evaluation Nanomaterials & Safe Evaluation Cosponsored by ANYL and COLL S. Bashir, Organizer Y. Yu, Organizer, Presiding 8:25 Introductory Remarks.

161

TECHNICAL PROGRAM

Peter Derrick Memorial Symposium: Nanomaterials & Safe Evaluation Spectroscopy Analysis

TECHNICAL PROGRAM

ENFL/ENVR 8:30 ENFL 534. Optimized surface acoustic wave nebulization facilitates bacterial phenotyping. L. Tao, T. Schneider, S.H. Yoon, B.L. Oyler, L.M. M. Leung, W.E. Fondried, G. Yen, Y. Huang, R.K. Ernst, E. Nilsson, D.R. Goodlett 9:05 ENFL 535. DNA quadruplexes studied by label free surface-enhanced Raman spectroscopy and electrospray ionization mass spectrometry. X. Guo, Y. Li, X. Xiang, Y. Cao 9:35 ENFL 536. Two-dimensional separation using high-pH and low-pH reversed phase liquid chromatography for topdown proteomics ls. Z. Wang, H. Ma, K. Smith, S. Wu 10:05 ENFL 537. Use of a single quadrupole mass spectrometer in radiochemistry. T.L. Collier, S.H. Liang, N. Vasdev 10:35 Intermission. 10:50 ENFL 538. Quantitative correlations between collision induced dissociation mass spectrometry coupled with electrospray ionization or atmospheric pressure chemical ionization mass spectrometry: Experiment and theory. B.I. Ivanova, M. Spiteller 11:20 ENFL 539. Mass spectrometry imaging of N-glycans in cancer tissues. R.R. Drake, P.M. Angel, A.S. Mehta 11:50 ENFL 540. Investigating structural transitions of amyloid proteins in the early stage of aggregations using ion mobility mass spectrometry (IM-MS) and small-angle X-ray scattering (SAXS). T.S. Choi, H.I. Kim, J. Han, C.E. Heo

SECTION C Renaissance Boston Waterfront Pacific Grand Ballroom Salon D

Peter Derrick Memorial Symposium: Nanomaterials & Safe Evaluation Panel Discussion Y. Yu, Organizer S. Bashir, Organizer, Presiding 9:00 ENFL 541. Application of chemical spectrometry in the mechanistic characterization of nanomaterials. J.L. Liu

SECTION D Renaissance Boston Waterfront Pacific Grand Ballroom Salon E

Perovskite Solar Cell & Water Splitting for Efficient Hydrogen Generation Q. Zhen, Organizer J. L. Liu, Organizer, Presiding 8:25 ENFL 542. Guanidinium cations roles in perovskites solar cells. M.H. Alotaibi, I.M. Dar, N. Arora, Y.A. Alzahrani, A. Alyamani, A. Albadri, H. Albrithen, A.Z. Alanzi, F.S. Alghamdi, I.H. Allehyani, S. Zakeeruddin, M. Graetzel 8:55 ENFL 543. Hydrogen generation from formic acid decomposition using a Ir-Pd nanoparticles supported on different supports. M.H. Alotaibi, O.F. Aldosari, R.L. ALOtaibi 9:25 ENFL 544. NHC-ligands in novel photochemical molecular devices. L. Petermann, S. Kaufhold, S. Rau 9:55 ENFL 545. Nanocatalysis to enhance water splitting. Q. Zhen, R. Li, J.L. Liu

9:55 ENFL 549. Carbon dioxide gasification of low and high ash Indian coals in context of underground coal gasification. G. Kumari, P. Vairakannu 10:25 ENFL 550. Exergy analysis of hydro-desulfurization unit (HDU) of linear alkyl benzene plant using ASPEN HYSYS as a simulating tool: A case study of Kaduna Refining and Petrochemical Company. O.S. Isaac, A. Mukhtar 10:55 ENFL 551. Fabrication of metal oxide/reduced graphene oxide nanocomposites as anode for lithium-ion batteries. Y. Mussa, F. Ahmed, M. Alshahrani, H. Abuhimd, M. Arsalan, E.H. Alsharaeh 11:25 ENFL 552. Selective cathode and anode electrocatalysis for membrane-free fuel cells. B. Yan, N. Concannon, A. Alabugin, Y. Surendranath

SECTION G Renaissance Boston Waterfront Pacific Grand Ballroom Salon C

Innovative Chemistry, Materials & Characterizations for Electrochemical Energy Storage Energy Storage Technologies X. Ji, J. Liu, X. Yu, Organizers H. Pan, Organizer, Presiding X. Yang, Presiding 7:55 ENFL 553. Improved high-rate performance of vertically-aligned carbon nanotubes/manganese oxide supercapacitor electrode by pulsed current electrodeposition method. M. Li, H. Park 8:15 ENFL 554. Supermolecule polymerization derived porous nitrogen-doped reduced graphene oxide as a highperformance electrode material for supercapacitors. D. Shu, H. Cheng, X. Zhou, C. He 8:35 ENFL 555. Carbon hybrid and its derived materials for electrochemical capacitors. Q. Li, A. Smith, M. Haque, V. Kuzmenko, P. Enoksson 8:55 ENFL 556. Piperidinium ionic liquids as electrolytes in supercapacitors and lithium ion batteries at elevated temperatures. K. Sankar, J. Chapman Varela, M.W. Grinstaff 9:15 Intermission. 9:35 ENFL 557. Interaction of CO2 and NOx gas on transition metal perovskites. J. Hwang, Y. Shao-Horn 10:05 ENFL 558. Ligand effects on the multi-electron redox properties of Fe complexes. I.A. Popov, N. Mehio, N.C. Smythe, T. Chu, B.L. Davis, J.C. Gordon, R. Mukundan, P. Yang, E.R. Batista 10:25 ENFL 559. Symmetric redox flow battery containing quinones in aqueous solution. M.P. Marshak, A.S. Crossman, J. Koka, B.H. Robb 10:45 ENFL 560. Discovery of organic flow battery electrolytes via a machine learning driven approach. D.P. Tabor, F. Häse, L. Roch, A. Aspuru-Guzik

Electrical/Electrochemical Technologies for Environmental Applications Sponsored by ENVR, Cosponsored by ENFL

Advanced Materials for Energy & the Environment: Design, Fabrication & Application

SECTION E

Sponsored by ENVR, Cosponsored by CEI and ENFL

Renaissance Boston Waterfront Pacific Grand Ballroom Salon B

THURSDAY AFTERNOON

Nanoscaled Electrocatalysts used in Fuel Cells & Hybrid Vehicles Panel Discussion V. I. Birss, V. Li, Organizers Q. Zhen, Presiding 9:00 ENFL 546. Nanostructured materials used to improve hydrogen production and storage. Q. Zhen, R. Li, J.L. Liu

Electrical/Electrochemical Technologies for Environmental Applications Sponsored by ENVR, Cosponsored by ENFL

Advanced Materials for Energy & the Environment: Design, Fabrication & Application Sponsored by ENVR, Cosponsored by CEI and ENFL

SECTION F Renaissance Boston Waterfront Spectacle

Nanoscaled Electrocatalysts used in Fuel Cells & Hybrid Vehicles Advanced Energy V. I. Birss, V. Li, Organizers G. Kumari, Presiding 8:55 Introductory Remarks. 8:55 ENFL 547. Nanoalloy catalysts in fuel cell reactions: An in-situ structural characterization. S. Shan, J. Li, Z. Wu, A. Lu, Y. Maswadeh, J. Luo, V. Petkov, C. Zhong 9:25 ENFL 548. Synergy effect of mixed precursor infiltrated cathode on solid oxide fuel cell performance. J. Kil, S. Shin, J. Choi, C. Lee, H. Shin, M. Choi

162

ENVR

Division of Environmental Chemistry J. Goldfarb, Program Chair

SUNDAY MORNING SECTION A Boston Convention & Exhibition Center Room 160C

Environmental Behaviors & Health Effects of Pollutants: A Symposium in honor of Professor Guibin Jiang Cosponsored by ANYL and GEOC W. Chen, D. D. Dionysiou, J. Liu, V. K. Sharma, B. Yan, Organizers L. Guo, C. Jing, Presiding 8:00 Introductory Remarks. 8:15 ENVR 1. Activation of ferrate(VI) in treatment of organic contaminants in water: Current status. V.K. Sharma 8:40 ENVR 2. Unexpected hydroxyl radical production and DNA damage via UV and sunlight irradiation of the genotoxic hydroxamic acid intermediate of polyaromatic amine carcinogen. B. Zhu 9:05 ENVR 3. Escherichia coli reduced graphene oxide aerobically in a suicidal manner: Mechanism and implication. C. Zhang, H. Zhao 9:30 ENVR 4. Temporal variation of the hygroscopicity of black carbon aerosols during a summer episode in Shanghai. X. Yang 9:55 Intermission. 10:15 ENVR 5. Crystallinity and exposed facets significantly affect affinity and reactivity of nanocrystals towards organic contaminants and biomolecules. T. Zhang, P.J. Alvarez, W. Chen 10:40 ENVR 6. Sources apportionment for perfluoroalkyl acids in the environment based on isomeric analysis. L. Zhu, G. Shan 11:05 ENVR 7. Stable isotopic evidence for mercury accumulation in the montane forests in Southwest China. X. Feng 11:30 ENVR 8. New insights into black carbon-mediated reduction of nitroaromatic compounds by sulfide in aqueous solution. C. Wei, S. Yin, D. Zhu

SECTION B Boston Convention & Exhibition Center Room 161

Environmental Nanometrology Cosponsored by ANYL and GEOC A. S. Adeleye, Organizer A. R. Badireddy, P. Larese-Casanova, B. Lau, Organizers, Presiding D. G. Goodwin, Presiding 8:30 Introductory Remarks. 8:35 ENVR 9. Nanoscale spectroscopic and mechanical characterization of individual aerosol particles with peak force infrared microscopy. L. Wang, X. Xu 8:55 ENVR 10. Optical imaging of environmental nanoparticle dynamics at the liquid-solid interface. X. Liu 9:15 ENVR 11. Relative contribution of surface charge and hydrophobicity of nanoparticles on membrane disruption: A study by surface-enhanced infrared absorption spectroscopy and quartz crystal microgravimetry. Z. Xia, A. Woods, A. Quirk, I. Burgess, B. Lau 9:35 ENVR 12. Chemical assays for assessing surface reactivity of nanoparticles in water: Much more than reading a number. X. Bi, P.K. Westerhoff 9:55 Intermission. 10:15 ENVR 13. Photochlorination-induced transformation of graphene oxide: Mechanism and environmental fate. Y. Li 10:45 ENVR 14. Graphene and graphene oxide/polymer nanocomposite transformations during accelerated outdoor weathering. D.G. Goodwin, T. Lai, C. Lu, S. Kabir, J.M. Gorham, T. Nguyen, L. Sung 11:05 ENVR 15. Unraveling microbial adhesion to aqueous interfaces using single-cell force spectroscopy. S. RomeroVargas Castrillon 11:25 ENVR 16. In situ detection of heterogeneous nucleation of CaCO3 nanoparticles at environmental interfaces. Y. Jun, Q. Li 11:55 Concluding Remarks.

SECTION C Boston Convention & Exhibition Center Room 162A

Water Reuse & Recycling: Innovative Solutions for Treatment & Implementation Cosponsored by AGRO and I&EC Y. Deng, D. Kriner, T. Wu, Organizers T. Wu, Presiding 8:15 Introductory Remarks. 8:20 ENVR 17. Advanced oxidation-based net-zero water technology: Opportunities for percent-level national energy demand reductions. J. Englehardt, T. Wu, L. Gassie, T. Guo, K. Perera, J. Wang, P. Gardinali

SECTION D Boston Convention & Exhibition Center Room 162B

Catalysis for Environmental & Energy Applications Cosponsored by CATL, CELL, ENFL and I&EC A. Orlov, A. Savara, Organizers, Presiding 8:30 Introductory Remarks. 8:35 ENVR 24. 3D porous Bi2MoO6/reduced graphene oxide aerogel composite with excellent adsorption and photocatalytic degredation performance for methylene blue. W. Jue, X. Liu 8:55 ENVR 25. Implications of hom*ogeneous acids on interpretation of solid acid activity for celloluse hydrolysis. M. Tyufekchiev, J. Finzel, P. Duan, K. Schmidt-Rohr, S. Granados Focil, M. Emmert, M.T. Timko 9:15 ENVR 26. Heterogeneous reaction mechanism and kinetics of elemental mercury oxidation over RuO2/TiO2 catalyst. J. Lee, Z. Liu, V. Sriram, C. Li 9:35 ENVR 27. Understanding selectivity in ammonia oxidation: DFT and microkinetic modeling over Pt, Pd and Rh (111). H. Ma, W.F. Schneider 9:55 Intermission. 10:15 ENVR 28. Exploring the interaction between metals and nano-crystalline beta zeolite for enhanced nitrate reduction. S. Hamid, A. Nasir, Z. Bakenov, J. Kim, W. Lee 10:35 ENVR 29. Experimental data based combinatorial kinetic simulations for predictions of enhanced exhaust emission catalysis with bifunctional mixed-bed systems. H. Vuong, A.J. Binder, J.E. Sutton, A. Savara 10:55 ENVR 30. Structural evolution of copper-based nanoalloy catalysts for carbon monoxide oxidation. J. Li, S. Shan, J. Hou, J. Luo, D. Truong, M. Kozma, S. Yan, C. Zhong 11:15 ENVR 31. MnO2 treated by NH4Cl with enhanced surface acidity and oxygen vacancy for promoting ozone decomposition. R. Cao, P. Zhang 11:35 ENVR 32. Low-temperature selective catalytic reduction of NO with NH3 over Mn-Ni oxides supported on m-Al2O3 and γ-Al2O3: A comparative study. X. Han, Z. Huang, Y. Liu 11:55 Concluding Remarks.

SECTION F Boston Convention & Exhibition Center Room 259B

Waste to Product: Biological & Physicochemical Resource Recovery & Efficiency Cosponsored by AGRO, ENFL and I&EC K. Chandran, K. Nelson, K. Wigginton, Organizers N. Love, W. Tarpeh, Organizers, Presiding 8:15 Introductory Remarks. 8:20 ENVR 33. Advancing technologies and improving communication of urine-derived fertilizers within a risk-based framework. N. Love 8:40 ENVR 34. Urea recovery from fresh urine by forward osmosis and membrane distillation. H. Ray, T.H. Boyer, F. Perreault 9:00 ENVR 35. “Smart” nonwater urinals for urea stabilization, phosphorus recovery, and water conservation. D. Saetta, A. Padda, C. Leyva, D. Boscovic, T.H. Boyer 9:20 ENVR 36. Integrated, multi-process approach to total and customizable nutrient recovery from hydrolyzed urine. N. Jagtap, T.H. Boyer 9:40 ENVR 37. Pharmaceutical transformation during production of urine-derived fertilizers. W. Tarpeh 10:00 Intermission.

10:15 ENVR 38. Redox-based electrochemical technologies for product purification, wastewater treatment and resource recovery. T. Hatton 10:50 ENVR 39. Faradaic and non-Faradaic electrode designs for robust electrochemical lithium recovery from brine and wastewater. S. Kim, J. Yoon 11:10 ENVR 40. Layer-stacked hierarchical porous carbon from PE by pyrolysis under autogenic pressure and KOH activation. H. Zhang, X. Zhou, L. Shao, P. He 11:30 ENVR 41. Selective removal of phosphate by electrochemical process with layered double hydroxide/ reduced graphene oxide composite electrode. S. Hong, H. Yoon, J. Lee, S. Kim, J. Yoon 11:50 Discussion.

SECTION G

10:45 ENVR 56. Improved anion sensing property using single-walled carbon nanotubes functionalized by neutral receptors. S. Choi, B. Yoon, S. Lin, M. He, T.M. Swager 11:10 ENVR 57. Effects of analogue interferences on sensing performance of imprinted photonic crystal sensors. S. Chang, W. Chung 11:35 ENVR 58. 4-Acetoxyphenol as a substrate for acetylcholinesterase-based sensor and its application for As(III) determination. T. Li, J. Berberich, E. Sahle-Demessie 11:55 Concluding Remarks.

Moving the Safety Values of the ACS Forward Sponsored by PRES, Cosponsored by AGFD, ANYL, BIOL, BMGT, CA, CARB, CCS, CHAS‡, CINF, COLL, CPT, ENFL, ENVR, I&EC, ORGN, PROF and SCHB

Boston Convention & Exhibition Center Room 259A

Synergistic Approaches to Lignocellulosic Biomass Research

SETAC-ENVR Joint Symposium: Legacy & Emerging Per- & Polyfluoroalkyl Substances: Identification, Fate, Transport, Exposure & Removal

How Can Advances in Chemistry Improve Human Health Exposure Assessment?

Cosponsored by CEI Financially supported by SETAC North America J. Liu, M. F. Simcik, Organizers K. Chu, F. Xiao, Organizers, Presiding 8:00 Introductory Remarks. 8:05 ENVR 42. Impacts of air emissions and wastewater discharges from a fluorochemical manufacturing plant on nearby and distant communities. D. Knappe, Z. Hopkins, C. Zhang, N. Kotlarz, M. Sun, M. Strynar, A. Lindstrom, J. McCord 8:40 ENVR 43. Investigations of per- and polyfluorinated compounds in environmental samples and contemporary products. M. Strynar, J. McCord, J. Lang, S. Newton, D. Knappe, Z. Hopkins, M. Sun, A. Lindstrom 9:15 ENVR 44. Sorption of novel cationic and zwitterionic polyfluoroalkyl surfactants to soil. S. Mejia-Avendaño, Y. Zhi, J. Liu 9:40 ENVR 45. Biotransformation of 6:2 fluorotelomer sulfonate (6:2 FtS) under sulfur-limiting condition. Y. Shi, K. Chu 10:05 Intermission. 10:20 ENVR 46. Efficient removal of per- and polyfluoroalkyl substances from aqueous film-forming foam solution by aeration-foam collection. S. Deng, P. Meng, W. Wang, G. Yu 10:45 ENVR 47. Degradation of perfluorooctanesulfonate in a laccase-mediator system. Q. Huang 11:10 ENVR 48. Occurrence and distribution of hydrogensubstituted F-53B and other emerging PFASs in surface waters from China. J. Dai, Y. Pan, H. Zhang, Q. Cui 11:35 ENVR 49. Fate and transport of poly- and perfluoroalkyl substances across groundwater/surfacewater boundaries. A.K. Tokranov, H.M. Pickard, B. Ruyle, D.R. LeBlanc, L.B. Barber, R.B. Hull, T.D. McCobb, E. Sunderland, C.D. Vecitis

SECTION H Boston Convention & Exhibition Center Room 258B

Advances in Sensors & Biosensors for Environmental Monitoring Cosponsored by ANYL and BIOL J. Berberich, T. Li, E. Sahle-Demessie, Organizers, Presiding 8:00 Introductory Remarks. 8:05 ENVR 50. Novel biosensor for organoarsenical herbicides and antimicrobial growth promoters. J. Chen, B.P. Rosen 8:30 ENVR 51. Visualization of adsorption: Luminescence mesoporous silica-carbon dots composite for rapid and selective removal of U(VI) and monitoring the adsorption behavior. Y. Lu, Z. Wang, J. Chen 8:55 ENVR 52. Dry preservation of heavy metal contaminants in water samples using cation exchange resins for improved water quality monitoring. E. Hanhauser, M.S. Bono, C. Vaishnav, A. Hart, R. Karnik 9:20 ENVR 53. Using an array of conjugated polymers for the detection of metal cations through pattern recognition. M. Ihde, M. Bonizzoni 9:45 ENVR 54. Mercury trace analysis using automatically temperature-calibrated heated screen-printed gold electrodes. S. Colon-Rodriguez, J. Abdulkhalek, T. QuiñonesRuíz, I.K. Lednev, S. Bentham, M. Schönhoff, G. Flechsig 10:10 Intermission. 10:20 ENVR 55. Hydrogel interferometer naked-eye sensor for Cu2+ detection. M. Sun, R. Bai, X. Yang, J. Song, Z. Suo, X. He

Sponsored by CELL, Cosponsored by CARB, ENVR and POLY

Sponsored by AGRO, Cosponsored by ENVR

SUNDAY AFTERNOON SECTION A Boston Convention & Exhibition Center Room 160C

Environmental Behaviors & Health Effects of Pollutants: A Symposium in honor of Professor Guibin Jiang Cosponsored by ANYL and GEOC W. Chen, D. D. Dionysiou, J. Liu, V. K. Sharma, B. Yan, Organizers Z. Lin, B. Zhu, Presiding 1:30 ENVR 59. Nano-bio interactions in the context of environmental safety. B. Yan 1:55 ENVR 60. Searching for the adverse outcome pathways of polybrominated diphenyl ethers. L. Cao, L. Guo 2:20 ENVR 61. Modeling photodegradation kinetics of organic micropollutants in field water bodies. J. Chen, C. Zhou 2:45 ENVR 62. Understanding the halogenation of dissolved organic matter by using Fourier transform ion cyclotron resonance mass spectrometry. J. Liu, Z. Hao 3:10 Intermission. 3:25 ENVR 63. Visible-light-driven conversion of nitrogen oxides at Ti-based photocatalysts: Selectivity and mechanistic insights. C. Wang, R. Hailili 3:50 ENVR 64. Metabolic assembly of alkynyl D-alanine into bacterial cell wall and tandem click labeling strategy: Counting pathogenic bacteria using mass spectrometry. Y. Liang, L. Yang, Q. Wang 4:15 ENVR 65. Efficient removal of radionuclides from aqueous solutions using carbon nanomaterials. X. Wang 4:40 ENVR 66. Biogenic Au@biolayer nanoparticles in Pantoea sp. IMH: Characterization, process, and application. C. Jing, W. Liu, L. Wang 5:05 ENVR 67. Effects of copper oxide nanoparticles and arsenic on the whole-life growth of rice (Oryza sativa japonica). J. Liu, M. Simms, G.P. Cobb

SECTION B Boston Convention & Exhibition Center Room 161

Environmental Nanometrology Cosponsored by ANYL and GEOC A. S. Adeleye, A. R. Badireddy, D. G. Goodwin, P. LareseCasanova, B. Lau, Organizers, Presiding 1:30 Introductory Remarks. 1:35 ENVR 68. Widespread occurrence of titanium dioxide engineered nanoparticles in the environment. M. Baalousha 2:05 ENVR 69. Analysis of the transformation of Cu2O nanoparticles in natural seawater. A.S. Adeleye, A. Minakova, A.A. Keller 2:25 ENVR 70. Quantification of dissolved and nanoparticulate metals with SEC-ICP-MS. P. Paydary, P. Larese-Casanova 2:45 ENVR 71. Characterization of silver and titanium dioxide nanoparticles using asymmetric flow FFF hyphenated with multi-angle light scattering (AF4-MALS) and single particle ICPMS. S. Rao, S. Ghoshal 3:05 Intermission. 3:20 ENVR 72. Sequestering heavy metal ions from drinking water using functionalized aluminum oxide hydroxide. J. Johnson, L.M. Baird, D. Smith, Z. Xia

163

TECHNICAL PROGRAM

9:05 ENVR 18. Reactive and fouling-resistant photo-Fenton membranes for sustainable water filtration. S. Sun, W. Fu, L. Hua, H. Yao, W. Zhang 9:30 ENVR 19. Advances in ferrate(VI) chemistry: Environmental implications for water reuse. Y. Deng, J. Cui, L. Zheng 9:55 ENVR 20. Assessment of ferrate for 1,4 dioxane oxidation and pathogen inactivation towards water reuse applications. C.D. Spellman, S. Da’er, E. Addison, E. Wezenkski, K. Ikuma, J.E. Goodwill 10:20 Intermission. 10:35 ENVR 21. Nitrosamine formation pathway rerevisited: Importance of dichloramine and relevance to water reuse. D. McCurry, M. Huang, S. Huang 11:00 ENVR 22. A novel solar thermal membrane distillation system for drinking water production in underdeveloped areas. R. Tanvir, P. Yi 11:25 ENVR 23. Water recovery from high strength brewery wastewater via a membrane distillation process. N. Anwar, M.R. Choudhury, T. Chen, S. Rahaman

TECHNICAL PROGRAM

ENVR 3:40 ENVR 73. Characterization and quantification of nanomaterials in polymer fragments released from nanoenabled products using single particle icpms and hyperspectral imaging. H. Fairbrother, R. Lankone, M.J. Gallagher, J. Wang, J.F. Ranville, J.T. Buchman, T.A. Qiu, B. Zhi, K.M. Landy, C.L. Haynes, T. Lyons, Z. Rosenzweig 4:10 ENVR 74. Detection and characterization of aqueous nanoparticles by hyperspectral imaging with darkfield microscopy. Y. Shen, R. Badireddy 4:30 ENVR 75. Detection and quantitation of engineered nanomaterials in environmental samples via single particle ICP-MS. Y. Huang, A.A. Keller, P. Cervantes-Avilés 4:50 Concluding Remarks.

SECTION C Boston Convention & Exhibition Center Room 162A

4:10 ENVR 89. Comparison of organic contaminants in coastal and inland condors using complementary ionization methods, comprehensive two-dimensional gas chromatography-high resolution mass spectrometry (GCxGCHRMS) and novel spectral analysis tools. D. Alonso, E. Hoh, J. Cossaboon, C. Tubbs, J. Binkley 4:30 ENVR 90. Photofate of Tetrabromobisphenol A in waters under natural and simulated sunlight. J.F. Kerrigan, Y. Chin 4:50 ENVR 91. Simulating the fate and transport of graphene oxide nanoparticles and their reaction products in surface waters using the water quality analysis simulation program 8 (WASP8). Y. Han, C. Knightes, R.G. Zepp, D.C. Bouchard, X. Chang, H. Hsieh, B. Avant, M. Henderson, J. Spear, B. Acrey 5:10 Concluding Remarks.

Water Reuse & Recycling: Innovative Solutions for Treatment & Implementation

SECTION E

Cosponsored by AGRO and I&EC D. Kriner, T. Wu, Organizers Y. Deng, Organizer, Presiding 1:30 Introductory Remarks. 1:35 ENVR 76. Enhanced nutrient removal from wastewater through an intermittent aeration strategy. J. Wang 2:20 ENVR 77. Cultivating diverse granular sludge in an enhanced membrane bioreactor: A potential approach to promote wastewater recycling. B. Tang, L. Bin, C. Chen, L. Wu, S. Huang, P. Li, F. Fu 2:45 ENVR 78. Investigation of anaerobic membrane bioreactor (AnMBR) potential to reduce antibiotic resistance proliferation and promote wastewater reuse. A. Zarei Baygi, M. Harb, P. Wang, A. Smith 3:10 Intermission. 3:30 ENVR 79. Physical interactions of antibiotics and metabolites with solids: Elucidating fate, transportation and mitigation methods. B. Stromer, B. Woodbury, C. Williams 3:55 ENVR 80. Removal of bacteriophage f2 in water by FeNi nanoparticles: optimation of Fe/Ni ratio and influencing factors. R. Cheng, M. Kang, L. Shi, X. Zheng 4:20 ENVR 81. Novel bifunctional cyclodextrin-based adsorbents for removal of dyes and endocrine-disrupting chemicals. Y. Zhou, Y. Hu, J. Lu 4:45 Concluding Remarks.

Chemistry of Struvite & Slow Release Fertilizers: From Fundamentals of Crystal Growth to Engineered Nutrient Recovery & Their Release

SECTION D Boston Convention & Exhibition Center Room 162B

SETAC-ENVR Joint Symposium: Legacy & Emerging Organic Contaminants in the Great Lakes, Seas & Oceans Cosponsored by ANYL and GEOC Financially supported by SETAC North America R. Lohmann, Organizer Y. Ma, Organizer, Presiding J. J. Pagano, Presiding 1:30 Introductory Remarks. 1:35 ENVR 82. Ocean biogeochemistry drives sustained seawater concentrations of polychlorinated biphenyls (PCBs) in remote locations. C. Wagner, H. Amos, C. Thackray, Y. Zhang, E. Lundgren, G. Forget, C. Friedman, N. Selin, R. Lohmann, E. Sunderland 1:55 ENVR 83. Using passive samplers to determine concentrations and water mass transport of legacy POPs in the Arctic Ocean. Y. Ma, D.A. Adelman, E. Bauerfeind, A. Cabrerizo, C.A. McDonough, D. Muir, T. Soltwedel, C. Sun, E. Sunderland, C. Wagner, R. Lohmann 2:15 ENVR 84. From headwater to estuary: Distribution and fate of halogenated flame retardants (HFRs) and current-use pesticides (CUPs) in Xiaoqing River Basin, China. X. Zhen 2:35 ENVR 85. Four current-use pesticides (CUPs) and halogenated flame retardants (HFRs) in air and surface water of the Bohai Sea, China. L. Liu, J. Tang 2:55 ENVR 86. Occurrence and spatial distribution of organophosphorus flame retardants and plasticizers in the Chinese Bohai and Yellow Seas. M. Zhong, J. Tang, H. Wu 3:15 Intermission. 3:30 ENVR 87. Evaluation of 2010 and 2015 nearshore Lake Ontario fillet samples: PCDD/F and coplanar PCB concentrations and toxic equivalence (TEQ). J.J. Pagano, A.J. Garner, E. Murphy, H.B. McCarty, T.M. Holsen 3:50 ENVR 88. Disentangle biotic and abiotic modification of Mancodo Crude oil at the molecular level. H. Chen, S.F. Niles, A.M. McKenna, R.P. Rodgers

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Boston Convention & Exhibition Center Room 260

Cosponsored by AGRO J. Baltrusaitis, Organizer, Presiding 1:30 Introductory Remarks. 1:35 ENVR 92. Mechanisms of zinc association with struvite in model, wastewater and biological systems. A. Rouff, M. Ramlogan, A. Rabinovich, G. Lager 2:15 ENVR 93. Effects of biochars on soil silicon cycle in a soil-rice ecosystem. Y. Wang, K. Zhang, B. Chen 2:40 ENVR 94. Simultaneous recovery of struvite and K-struvite from a synthetic wastewater stream as a pelletized slow release fertilizer. S. Lobanov, K.V. Lo 3:05 ENVR 95. Influence of dissolved organics on metal sorption at the struvite-water interface. O. Goswami, A. Rouff 3:30 Intermission. 3:50 ENVR 96. In situ measurements of struvite crystal growth and their surface chemistry on insoluble magnesium minerals. W. Taifan, B. Lu, D. Kiani, J. Baltrusaitis 4:15 ENVR 97. Reclamation of nutrients and irrigation waters from livestock wastewater. A. Rabinovich, A. Rouff 4:40 ENVR 98. Application of struvite supported palygorskite derived by nutrient recovery from wastewater for in-situ immobilization of heavy metals in contaminated soil. X. Wang, J. Niugush, H. Jing, Y. Li 5:05 Discussion. 5:25 Concluding Remarks.

SECTION F Boston Convention & Exhibition Center Room 259B

Waste to Product: Biological & Physicochemical Resource Recovery & Efficiency Cosponsored by AGRO, ENFL and I&EC K. Chandran, K. Nelson, K. Wigginton, Organizers N. Love, W. Tarpeh, Organizers, Presiding 1:30 Introductory Remarks. 1:35 ENVR 99. Mining valuable metals and elements from seawater: Overview of recent advances. M.S. Diallo 2:10 ENVR 100. Resource recovery from desalination brine: Energy efficiency and sodium hydroxide production. A. Kumar, J.H. Lienhard V 2:30 ENVR 101. Lithium recovery from shale gas produced water including organic compounds by solvent extraction methods. J. Lee, E. Chung 2:50 ENVR 102. Influence of organic compounds on lithium adsorption in shale gas produced water. Y. Jang, E. Chung 3:10 ENVR 103. Demetallization of sewage sludge using low-cost ionic liquids to produce low-carbon fuels. J. Yao 3:30 Intermission. 3:45 ENVR 104. Recovery of rare earth elements from coal combustion residuals. H. Hsu-Kim, R.C. Smith, R. Taggart, M. Wiesner, J.C. Hower 4:20 ENVR 105. Recovering rare earth elements (REEs) from coal fly ash using hydrothermal extraction and ligandassociated media sorption. T.M. Dittrich, S.K. Mohanty, S.P. McElmurry, M.J. Allen 4:40 ENVR 106. Extracting the rare earth elements (REE) from coal fly ash via the combination of physical separation and chemical extraction techniques. Y. Soong, R. Lin, B. Howard, E.J. Granite, C. Lopano, E. Roth, M. Stuckman 5:00 ENVR 107. Enrichment of rare earth elements (REEs) from coal and coal by-products. F. Shi, Y. Soong, M.L. Gray 5:20 Discussion.

SECTION G Boston Convention & Exhibition Center Room 259A

SETAC-ENVR Joint Symposium: Legacy & Emerging Per- & Polyfluoroalkyl Substances: Identification, Fate, Transport, Exposure & Removal Cosponsored by CEI Financially supported by SETAC North America K. Chu, F. Xiao, Organizers J. Liu, M. F. Simcik, Organizers, Presiding 1:30 ENVR 108. The reduction of PFAS: A physical organic perspective. D. van Hoomissen, S. Vyas 1:55 ENVR 109. Single-atom platinum on silicon carbide for photocatalytic PFOA degradation. D. Huang, G.d. Vera, C. Chu, Q. Zhu, E. Stavitski, J. Mao, H. Xin, J. Spies, C.A. Schmuttenmaer, J. Niu, G.L. Haller, J. Kim 2:20 ENVR 110. Materials for photocatalytic oxidative and reductive mineralization of per/poly-fluorinated contaminants. E.L. Cates, M. Qanbarzadeh 2:45 ENVR 111. Generation of PFOA and PFOS from precursor compounds during conventional drinking-water treatment. F. Xiao, R. Hanson, S. Golovko, M. Golovko, W. Arnold 3:10 Intermission. 3:30 ENVR 112. Ultrasonic degradation of an emerging perfluoro ether, Gen X. D. Cui, A.M. Mebel, K.E. O’Shea 3:55 ENVR 113. Long-chain perfluoroalkyl substances (PFASs) affect the bioconcentration and tissue distribution of short-chain PFASs in zebrafish (Danio rerio). X. Xia, W. Wen 4:20 ENVR 114. Accumulation and toxicity of perfluorooctanoic acid and perfluoroalkyl alternatives on earthworms (Eisenia fetida) and terrestrial plants. C. Chen, S. Yang, K. Martinez, Y. Liu, T.L. Wade, K. Chu 4:45 ENVR 115. Accessing information for per- and polyfluoroalkyl substances using the US EPA CompTox Chemistry Dashboard. A.J. Williams, A. McEachran, M. Strynar, C. Grulke, K. Mansouri, G. Patlewicz, R. Sams, E. Schymanski, A. Richard

SECTION H Boston Convention & Exhibition Center Room 258B

Advances in Sensors & Biosensors for Environmental Monitoring Cosponsored by ANYL and BIOL J. Berberich, T. Li, E. Sahle-Demessie, Organizers, Presiding 1:30 Introductory Remarks. 1:35 ENVR 116. A phage-based lab-on-a-filter for the rapid, quantitative, and single cell detection of E. coli in drinking water. T.C. Hinkley, J. Talbert, S.R. Nugen 2:00 ENVR 117. A portable cellphone based microbial pathogen detection system for water quality analysis. X. Huang, X. LIN, K. Urmann, L. LI, M.R. Hoffmann 2:25 ENVR 118. Intelligent water treatment systems and the role of online water quality instruments. V. Dozortsev, M. West, R. Bacon 2:50 ENVR 119. Detection and quantification of organic water pollutants by cellulose nanofibrils (CNF) based raman spectroscopic sensor. M. Hossen, M.D. Mason 3:15 Intermission. 3:25 ENVR 120. Photoionization detector with sealed or windowless discharges for ppb detection of VOC’s or and or fixed gases. J.N. Driscoll, J.L. Maclachlan 3:50 ENVR 121. Carbohydrate sensing using water-soluble poly(methacrylic acid)-co-3-(acrylamide)phenylboronic acid co-polymer. X. Liang, M.C. Trentle, V.A. Kozlovskaya, E.P. Kharlampieva, M. Bonizzoni 4:15 ENVR 122. Three-dimensional graphene-based nanomaterials for pollutants detection. H. Zhao, B. Tan, F. Yuan, X. Quan 4:40 ENVR 123. Optofluidic platform for enhanced IR microscopic nanoliter sensing. C. Kratz, A. Furchner, T.W. Oates, D. Janasek, K. Hinrichs 5:05 ENVR 124. On-site soil nutrient analysis system for small-holding farmers utilizing printed solid-state ionselective electrodes. M. Arnold, M.S. Bono, N. Mallareddy, R. Rosenberg, S. Braganza, R. Karnik, C. Vaishnav, A. Hart

Moving the Safety Values of the ACS Forward Sponsored by PRES, Cosponsored by AGFD, ANYL, BIOL, BMGT, CA, CARB, CCS, CHAS‡, CINF, COLL, CPT, ENFL, ENVR, I&EC, ORGN, PROF and SCHB

Synergistic Approaches to Lignocellulosic Biomass Research Sponsored by CELL, Cosponsored by CARB, ENVR and POLY

Microbial Chemical Processes & Advanced Nanotechnology for Contaminated Site Remediation Sponsored by GEOC, Cosponsored by ENVR

MONDAY MORNING SECTION A Boston Convention & Exhibition Center Room 160C

Environmental Behaviors & Health Effects of Pollutants: A Symposium in honor of Professor Guibin Jiang Cosponsored by ANYL and GEOC W. Chen, D. D. Dionysiou, J. Liu, V. K. Sharma, B. Yan, Organizers Y. Cai, Z. Lin, Presiding 8:15 ENVR 125. Chemical composition and droplet size distribution of cloud and new particle formation at Mt. Tai, China. J. Chen 8:40 ENVR 126. Species-specific sensitivity of two ecologically different earthworms to TBBPA in soil. X. Chen, J. Gu, X. Wang, R. Ji 9:05 ENVR 127. Multiple-level structures of biochars and soil remediation applications. B. Chen, X. Xiao 9:30 ENVR 128. Particle acidity and sulfate production during severe haze in China. R. Zhang, G. Wang 9:55 Intermission. 10:15 ENVR 129. Biodegradation of polycyclic aromatic hydrocarbons in the Mangrove environment. K. Yuan, L. Luo, C. Baowei, T. Luan 10:40 ENVR 130. Water stable metal−organic frameworks for the detection and removal of pollutants. H. Zhou, P. Zhang, J. Li 11:05 ENVR 131. UV/chlorine treatment on the DBP formation and toxicity alternation. J. Fang, Y. Cui 11:30 ENVR 132. Mechanistic study of Pb(II) removal by activated carbon: spectroscopy, DFT calculations, and the effect of co-existing ions. Q. Shi, X. Meng, V. Prigiobbe

SECTION B Boston Convention & Exhibition Center Room 161

Advances in Carbon Nanomaterial Design & Applications for Environmental Sustainability L. M. Gilbertson, Organizer F. Perreault, Organizer, Presiding 8:00 Introductory Remarks. 8:05 ENVR 133. Nanocarbon design for environmental health and safety. R. Hurt 8:40 ENVR 134. Graphene based electrodes for label-free impedimetric biosensing. M. Siaj 9:00 ENVR 135. Intrinsic wettability of carbon materials and its implications. H. Liu 9:20 ENVR 136. Ultrastrong graphene oxide-cellulose nanocrystal porous 3D macrostructures for removal of water contaminants. N. Yousefi, K. Wong, A. Filina, M.A. de Franco, R. Allgayer, H.O. Sorensen, S. Bruns, Y. Zheng, N. Tufenkji 9:40 Intermission. 10:00 ENVR 137. Adsorption of tetrahydrocannabinol (THC) by three generations of carbon-based adsorbents. A. Khalid, O. Apul 10:20 ENVR 138. Application of g-C3N4 in enrichment and separation of nuclides in HLLW. H. Li 10:40 ENVR 139. Shape matters: Cr (VI) removal using iron nanoparticle impregnated 1-D vs 2-D carbon nanohybrids prepared by ultrasonic spray pyrolysis. N. Aich, A. Masud, J.D. Atkinson, Y. Cui 11:00 ENVR 140. Dual optimization of microporosity in carbon spheres for superior CO2 capture. A.C. Dassanayake, M. Jaroniec 11:20 ENVR 141. Covalent crosslinked graphene aerogel with stable structure for water purification. C. Cheng, X. Zhu, B. Chen 11:40 ENVR 142. Efficiently generating purified water and salinity gradient energy by using a freestanding graphene oxide membrane. X. Tong, S. Liu, Y. Chen

SECTION C Boston Convention & Exhibition Center Room 162A

Emerging Challenges in the Era of Drinking Water Insecurity & Inequality & the Search for Low-Cost Solutions Cosponsored by CMA J. L. Sarquis, Organizer P. M. Gordon, A. Katner, Organizers, Presiding 8:00 Introductory Remarks. 8:10 ENVR 143. Enhanced purified water production by artificial phototropic solar vapor generator based on nanophotonic hydrogel. X. He, X. Qian, Y. Alsaid, Y. Zhao 8:30 ENVR 144. Tackling water contamination issues using SPCs and the implementation of traditional knowledge and chemistry. R.L. Tsosie, E. Rosenberg 8:50 ENVR 145. Functionalized biochar for removal of discarded prescription drugs. L.C. Fernandez, V. Slavina, F. Sarmiento 9:10 ENVR 146. Selective microbial control in drinking water systems using bacteriophages conjugated with superparamagnetic nanoparticles. P. Yu, P.J. Alvarez 9:30 ENVR 147. Addressing contributory factors in the dissolution of heavy metals from zinc coated iron water supply pipes with flow conditions typical of developing countries. D. Bhaskar, G. Singh 9:50 Intermission. 10:05 ENVR 148. Assessment of water quality in Puerto Rico after Hurricane Maria. F.L. Rosario, M. Warren, M. Hernandez, R. Rodrigez, M. Crespo-Medina, G. Ramirez 10:25 ENVR 149. Challenges faced by private well owners in the aftermath of the 2016 Louisiana floods. A. Katner, K. Pieper, D. Dai, W. Rhoads, S. Straif-Bourgeois, A. Pruden, M. Edwards 10:45 ENVR 150. Study for a low-cost alternative to treat water on an island off the southeastern Brazilian coast. D.C. Meissner 11:05 ENVR 151. Evaluation of a silver-embedded ceramic tablet as secondary point-of-use water purification technology in Darbonne, Leogane, Haiti. M. Nonglaton 11:25 Concluding Remarks.

SECTION D Boston Convention & Exhibition Center Room 162B

Environmental Health & Safety of Emerging Chemicals & Technologies Cosponsored by AGRO‡, ANYL and CEI S. Huo, B. Zhang, Organizers Y. Li, X. Pan, Organizers, Presiding 8:30 Introductory Remarks. 8:35 ENVR 152. EPA Comptox Chemistry Dashboard as a data integration hub for environmental chemistry data. A.J. Williams, A. McEachran 8:55 ENVR 153. Impacts of metal oxide nanoparticles on reproduction, neurological behavior, and gene expression in Caenorhabditis elegans. X. Pan, L. Huo, T.E. Thornburg, T. Umeofia 9:15 ENVR 154. Exposure to acrylamide disrupts cardiomyocyte interactions during ventricular morphogenesis in zebrafish. M. Huang, J. Jiao, Y. Zhang 9:35 ENVR 155. Short-term exposing effects of persistent organic pollutants on liver mitochondrial function of zebrafish (Danio rerio). E. Ko, K. KIM, M. CHOI, S. SHIN 9:55 ENVR 156. Pharmaceutical exposure changed bacterial community and antibiotic resistance gene profiles in surface- and overhead-irrigated greenhouse lettuce. Y. Shen, W. Zhang, R. Stedtfeld, X. Guo, G. Bhalsod, S. Jeon, J. Tiedje, H. Li 10:15 Intermission. 10:35 ENVR 157. Physicochemical properties and health implications of airborne incidental nanoparticles. N.I. Gonzalez Pech, L.V. Stebounova, I. Ustunol, J. Park, R. Anthony, T. Peters, V.H. Grassian 10:55 ENVR 158. Dietary exposure to short- and mediumchain chlorinated paraffins in meat and aquatic products from China. H. Huang, R. Wang, L. Gao 11:15 ENVR 159. Loss of phospholipid membrane integrity induced by two-dimensional nanomaterials. I. Zucker, J. Werber, Z. Fishman, S. Hashmi, U. Gabinet, X. Lu, C.O. Osuji, L. Pfefferle, M. Elimelech 11:35 ENVR 160. In Silico investigation on the metabolic mechanisms of selective environmental contaminants catalyzed by the active species of P450 enzymes. Z. Fu, J. Chen, Z. Wang 11:55 Discussion.

SECTION E

Citizen Science & Chemistry Cosponsored by CEI and CHED E. Schoffers, Organizer W. H. Batschelet, S. O. Obare, Organizers, Presiding 8:00 Introductory Remarks. 8:05 ENVR 161. Citizen Science: Empowering communities and engaging regulators. D. Szaro 8:30 ENVR 162. Maple producers play key role in use of tree sap to monitor tree health in a changing environment. W.C. Shortle 8:50 ENVR 163. Citizen science as a quantitative tool for temporal and spatial water quality assessment. S. BarteltHunt, A. Kolok, J. Ali 9:10 ENVR 164. Data review and clean-up using crowdsourced input via the US EPA CompTox Chemistry Dashboard. A.J. Williams, K. Paul-Friedman, C. Grulke, E. Schymanski, J. Edwards 9:30 Intermission. 9:40 ENVR 165. From polymath to specialist and the making of unscientific America. Why should chemists care about citizen science? E. Schoffers 10:00 ENVR 166. Activating public support for science: Educating citizens for science. D. Kriner, J.L. Goldfarb 10:20 ENVR 167. Real world narrative risk framing for the benefit of Earth and its people. K.E. Peterman 10:40 ENVR 168. An eCLEAR interactive climate science literacy tool. G.P. Foy, R. Hill Foy 11:05 ENVR 169. Scientist citizen credibility in a climate disrupted world. J.A. Bell 11:25 ENVR 170. Citizen science…for the benefit of Earth and its people. B.Z. Shakhashiri 11:45 Panel Discussion.

SECTION F Boston Convention & Exhibition Center Room 259B

Waste to Product: Biological & Physicochemical Resource Recovery & Efficiency Cosponsored by AGRO, ENFL and I&EC N. Love, K. Nelson, K. Wigginton, Organizers K. Chandran, W. Tarpeh, Organizers, Presiding 8:00 ENVR 171. Flexible biochemical platforms for resource recovery from waste. K. Chandran 8:25 ENVR 172. Recovery of resources and energy using waste-derived biogas methane. J. Myung 8:45 ENVR 173. Anaerobic digestion of sewerage sludge treatment for energy recovery: Case study of an urban district. B. Thi Thuy, V. Nguyen 9:05 ENVR 174. Dissecting microbial community shifts during anaerobic co-digestion of fat, oil and grease (FOG). M. Kurade, S. Saha, D. Kim, S. Govindwar, B. Jeon 9:25 ENVR 175. Metal and sulfate removal from mining impacted water using a pilot-scale passive reactor. P. Pinto, S.R. Al-Abed, J. McKernan 9:45 Intermission. 9:55 ENVR 176. Recovery of ammonia and phosphate minerals from agricultural wastewater. M. Vanotti 10:20 ENVR 177. Energy and nutrient recovery from hydrothermal process co-products. Y. Li, W. Tarpeh, K. Nelson, T.J. Strathmann 10:40 ENVR 178. Synchronous recovery of Chlorella vulgaris, nitrogen and phosphate from simulated wastewater by MgO modified diatomite: Interaction mechanism. J. Li, X. Wang 11:00 ENVR 179. Waste2 to Energy Processing: HTL upgrading of food waste using inexpensive, alkaline waste catalysts. A.R. Maag, A. Paulsen, T. Amundsen, P. Yelvington, G. Tompsett, M.T. Timko 11:20 ENVR 180. Life cycle assessment of wastewater nutrient recovery through struvite precipitation. M. Sena, A.L. Hicks 11:40 ENVR 181. Removal of orthophosphate from aqueous solutions by inorganic nanoparticles: Distinguishing between adsorption and precipitation mechanisms. Y. Zhi, D.F. Call, J.L. Jones, J.M. Harrington, Y. Liu, D. Knappe

SECTION G Boston Convention & Exhibition Center Room 259A

SETAC-ENVR Joint Symposium: Legacy & Emerging Per- & Polyfluoroalkyl Substances: Identification, Fate, Transport, Exposure & Removal Cosponsored by CEI

Boston Convention & Exhibition Center Room 260

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TECHNICAL PROGRAM

SUNDAY EVENING

TECHNICAL PROGRAM

ENVR Financially supported by SETAC North America K. Chu, J. Liu, M. F. Simcik, Organizers F. Xiao, Organizer, Presiding M. Sun, Presiding 8:15 ENVR 182. Optimization of soil extraction methods for comprehensive profiling of perfluoroalkyl and polyfluoroalkyl substances derived from firefighting foams. G. Munoz, P. Ray, S. Vo Duy, T. Do, S. Mejia-Avendaño, J. Liu, S. Sauvé 8:40 ENVR 183. Novel porous polymer monolith for the extraction of per-& poly-fluoroalkyl compounds from environmental matrices. S. Thomas, D. Arrua, H.J. Wirth, W.B. Hon, R. Barber, A. Gooley, P. Nesterenko, A. Juhasz, E.F. Hilder 9:05 ENVR 184. Enhancing the total oxidizable precursor assay for environmental samples containing per- and polyfluoroalkyl ether acids. C. Zhang, Z. Hopkins, M. Strynar, A. Lindstrom, J. McCord, D. Knappe 9:30 ENVR 185. LC-MS/MS analysis of polyfluoroalkyl substances in non-drinking water samples. K. Organtini, K.J. Rosnack, G. Cleland 9:55 Intermission. 10:15 ENVR 186. Oxidation of PFAS with small radical molecules: A theoretical perspective. D.J. Van Hoomissen, S. Vyas 10:40 ENVR 187. Mechanisms of electrochemical oxidative degredation of poly- and perfluoralkyl substances by porous titanium suboxide anodes. R.D. Pierce, H. Shi, Q. Huang, J. Lu 11:05 ENVR 188. Removing perfluoroalkyl acids (PFAAs) from water Using functionalized hydrogel sorbent. P. Huang, M. Hwangbo, J. Kameoka, K. Chu 11:30 ENVR 189. Optimization of total adsorbable organic fluorine analysis in environmental water samples. V.F. Pulikkal, M. Sun 11:55 Concluding Remarks.

SECTION H Boston Convention & Exhibition Center Room 258B

Advances in Sensors & Biosensors for Environmental Monitoring Cosponsored by ANYL and BIOL J. Berberich, T. Li, E. Sahle-Demessie, Organizers, Presiding 8:00 Introductory Remarks. 8:05 ENVR 190. Field portable sensors for detection of emerging environmental contaminants. E. Andreescu 8:30 ENVR 191. Novel Self-powered aptasensor for hazardous environmental pollutants detection based on enzyme biofuel cell. M. Liu, Y. Wang, H. Lu, C. Sun, G. Zhao 8:55 ENVR 192. Highly sensitive paper-based colorimetric sensors for fumigants. P. Tang, G. Sun 9:20 ENVR 193. Establishing optical sensing platforms using 2D metal-organic framework nanosheets for antibiotics detection. B. Tan, H. Zhao, W. Wu, X. Quan 9:45 Intermission. 9:55 ENVR 194. A miniaturized fiber-optic fluorescence analyzer for detection of Picric acid explosive from commercial and environmental samples. I. Terry, S.S. Dasary, A.K. Singh, K.S. Lee, H. Yu, P.C. Ray 10:20 ENVR 195. Characterization of engineered nanoparticles under complex environmental conditions for space applications. S. Joo, X. Scott 10:45 ENVR 196. Inhibition-based biosensors for arsenic detection. J. Berberich, T. Li, E. Sahle-Demessie, S. Zeh, J. Hostert, C. Cash, S. Minderlean 11:05 ENVR 197. Chemical fingerprinting of polycyclic aromatic hydrocarbons by fluorescent conjugated polymers. N.J. White, J. Tropp, J.D. Azoulay, M. Bonizzoni 11:30 ENVR 198. CNT-based carbon monoxide sensors with voltage-modulated sensitivity. S. Savagatrup, V. Schroeder, T.M. Swager 11:55 Concluding Remarks.

SECTION I Boston Convention & Exhibition Center Room 257B

Synthetic Biology: The State of the Science Cosponsored by CEI‡, COMSCI and PRES C. Henry, S. O. Obare, Organizers A. M. Noce, K. M. Omberg, Organizers, Presiding 8:30 Introductory Remarks. 8:35 ENVR 199. Genome editing the future: Challenges and opportunities in synthetic biology. J. Doudna 9:20 ENVR 200. Function is more important than sequence. S. Richardson 9:50 ENVR 201. Biodefense in the age of synthetic biology. P. Carr

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10:20 Intermission. 10:30 ENVR 202. Making “sense” of metabolic engineering. K.L. Jones Prather 11:00 ENVR 203. Discovery and characterization of novel feedback control mechanisms in synthetic gene networks: From principled models to deep learning. E. Yeung 11:30 ENVR 204. DNA synthesis science at the DOE Joint Genome Institute: Biosecurity sequence screening and broader aspects review. N. Hillson 12:00 Discussion.

Ion Transport at the Nanoscale: Research & Capabilities at the DOE’s Nano Centers Sponsored by PRES, Cosponsored by ANYL, COLL, COMSCI, ENFL, ENVR, GEOC and SCHB

Molecular Understanding of the Structure & Reactivity of Mineral-Water Interfaces Sponsored by GEOC, Cosponsored by COLL and ENVR

Rational Design of Multifunctional RenewableResourced Materials CNC/CNF Nanocellulose Composites Sponsored by CELL, Cosponsored by CARB, ENVR and POLY

Growing with Project SEED: 50 years and 10,000+ Students Sponsored by PRES, Cosponsored by AGFD, AGRO, ANYL, BIOL, BMGT, CARB, CINF, COLL, ENFL, ENVR, HIST, I&EC, ORGN, PROF and SCHB

Pesticide Spray Drift: Application, Evaluation & Mitigation Sponsored by AGRO, Cosponsored by ANYL and ENVR

Fate & Metabolism of Xenobiotics: In Vitro & In Silico Studies Sponsored by AGRO, Cosponsored by AGFD, ANYL and ENVR

Reducing Uncertainty in Modeling the Environmental & Human Health Exposure to Agrochemicals Sponsored by AGRO, Cosponsored by CHAS and ENVR

MONDAY AFTERNOON SECTION A Boston Convention & Exhibition Center Room 160C

Environmental Behaviors & Health Effects of Pollutants: A Symposium in honor of Professor Guibin Jiang Cosponsored by ANYL and GEOC W. Chen, D. D. Dionysiou, J. Liu, V. K. Sharma, B. Yan, Organizers B. Chen, R. Zhang, Presiding 1:00 ENVR 205. Overview of destruction of cyanotoxins advanced oxidation processes. X. Duan, M. Kong, D.D. Dionysiou 1:25 ENVR 206. Effects of periphyton presence on the distribution of mercury in water in the Florida Everglades. Y. Xiang, A. Anjuman, G. Liu, D. Wang, Y. Cai 1:50 ENVR 207. Concentrations and bioaccessibility of methylmercury in rice-based infant cereals. G. Liu, W. Cui, Y. Li, B. Meng, M. Ojeda, Y. Cai 2:15 ENVR 208. Chemicals parental exposure causing transgenerational effects on offspring in zebrafish. B. Zhou 2:40 Intermission. 3:00 ENVR 209. Advances in the field of biosensors for the environmental monitoring of cyanotoxins. V. Vogiazi, V.N. Shanov, W.R. Heineman, D. Dionysiou 3:25 ENVR 210. Recycling of heavy metal from nano-sludge via crystal growth manipulation. Z. Lin, H. Deng, W. Liu, X. Liu, C. Tian 3:50 ENVR 211. Intial environmental impacts of Sb mine tailing spill into the Jialing River. F. Guo 4:15 ENVR 212. Environmental behaviors and toxicities of silver nanoparticles. G. Qu, G. Jiang 4:40 Concluding Remarks.

SECTION B Boston Convention & Exhibition Center Room 161

Advances in Carbon Nanomaterial Design & Applications for Environmental Sustainability F. Perreault, Organizer L. M. Gilbertson, Organizer, Presiding

1:00 ENVR 213. Surface modification of nanocellulose; balancing enhanced materials properties with environmental impacts. H. Fairbrother, B. Frank, E.R. Caudill, J.A. Pedersen, M. Curry, L. Zhu, D. White, D.P. Durkin 1:35 ENVR 214. Redesigning nanomaterials and nanotoxicity assays: Understanding the role of MWCNT properties on embryonic zebrafish mortality. M.M. Falinski, M.A. Garland, S. Hashmi, R.L. Tanguay, J.B. Zimmerman 1:55 ENVR 215. Revealing causative mechanisms of electrochemical and biological activities of graphene via heteroatom functionalization. Y. Wang, L.M. Gilbertson 2:15 ENVR 216. Controlled alignment of graphene oxide nanosheets to elucidate the effect of nanosheet orientation on antibacterial activity. X. Lu, X. Feng, J. Werber, C. Chu, I. Zucker, J. Kim, C.O. Osuji, M. Elimelech 2:35 Intermission. 2:55 ENVR 217. Characterization and toxicity assessment of graphene oxide-based nanohybrids. S. Baek, S. Joo, C. Su 3:15 ENVR 218. Inductive heating based membrane distillation: Role of CNT-Fe membranes. A. Ronen, A. Anvari 3:35 ENVR 219. Monte Carlo simulations of layered 2-D nanomaterials: Understanding the influence of framework defects during membrane separation. C. Ritt, J. Werber, A. Deshmukh, M. Elimelech 3:55 ENVR 220. Zwitterion functionalized graphene oxide nanocomposite nanofiltration membrane with improved water flux and antifouling properties. S. Rahaman 4:15 ENVR 221. pH responsive graphene based membrane for controllable molecular sieving. L. Zhang, X. Zhu, B. Chen 4:35 ENVR 222. Gypsum scaling on graphene oxide modified reverse osmosis membrane. B. Cao, A. Ansari, X. Yi, D.F. Rodrigues, Y. Hu 4:55 Concluding Remarks.

SECTION C Boston Convention & Exhibition Center Room 162A

Thermochemical & Biochemical Conversions of Biomass to Biofuels & Biomaterials for Energy & Environmental Applications Thermochemical & Biochemical Processes Cosponsored by CATL, CELL, ENFL and I&EC G. Chen, J. L. Goldfarb, P. He, M. T. Timko, M. Volpe, M. Zhao, Organizers L. Fiori, F. Li, R. Volpe, Organizers, Presiding 1:00 Introductory Remarks. 1:10 ENVR 223. Thermal breakdown in coal and biomass: Relationship between reactor design and product distributions. R. Volpe, R. Kandiyoti 1:35 ENVR 224. Thermogravimetric and kinetic analysis of catalytic and non-catalytic co-pyrolysis of microalgae and digested sludge residue. A. Vuppaladadiyam 2:00 ENVR 225. Catalytic hydrothermal processing of lipids and fatty acids to hydrocarbons over Ru/C without addition of external hydrogen. J. Zhang, X. Huo, Y. Li, T.J. Strathmann 2:25 ENVR 226. Catalytic reforming of toluene over Ni- and Fe-based catalysts in a DBD plasma reactor. Y. Sun, L. Liu 2:50 Intermission. 3:00 ENVR 227. Multiple thermochemical pathways for municipal solid waste valorization to biofuels and bioproducts. S. Del Bianco, L. Fiori, L. Gao, J.L. Goldfarb, G. Ischia, M. Lucian, M. Volpe 3:25 ENVR 228. Chemical pathways in thermal decomposition of citrus waste via slow pyrolysis. R. Volpe, J.M. Bermúdez Menendes, T. Ramirez Reina, M. Titirici, A. Messineo, M. Millan 3:50 ENVR 229. One-step enzymatic treatment of lignocellulosic biomass using immobilized cellulase and xylanase. M. Hwangbo, J. Tran, K. Chu 4:15 ENVR 230. Complete valorization of wastewater algae via an integrated thermo- and electrochemical processing strategy. Y. Li, W. Tarpeh, K. Nelson, T.J. Strathmann 4:40 ENVR 231. Microwave-assisted hydrothermal carbonization of waste plant materials: An approach for improving their energy and adsorption properties. S. Elaigwu

SECTION D Boston Convention & Exhibition Center Room 162B

Environmental Health & Safety of Emerging Chemicals & Technologies Cosponsored by AGRO‡, ANYL and CEI S. Huo, B. Zhang, Organizers Y. Li, X. Pan, Organizers, Presiding

SECTION E Boston Convention & Exhibition Center Room 260

Microplastic Pollution: Sources, Sinks & Solutions Cosponsored by ANYL and CEI S. Bartelt-Hunt, N. Fahrenfeld, Organizers, Presiding 1:00 Introductory Remarks. 1:05 ENVR 241. Environmental loading estimates and fate of microplastics from municipal wastewater treatment. B. Sturm, S. Bagchi, Y. Hiripitiyage, T. Mayo, J. Handley 1:45 ENVR 242. Synthetic microfiber existence and dispersion in a Lake Michigan watershed. C.R. Iceman, J.R. Peller 2:15 ENVR 243. Role of bed sediments as a sink for microplastics. S. Elsaker, K. Parrish, N. Fahrenfeld 2:45 Intermission. 3:00 ENVR 244. Fast screening of microplastics abundance by a highly-selective fluorescent dye. J. Li, H. Liu, J. Chen 3:30 ENVR 245. The abundance of microplastics in freshwater shoreline sediments. S. Bartelt-Hunt, N. Naderi, Z. Mahon 4:00 ENVR 246. Occurrence of microplastics in human faeces of children in Tianjin, China. J. Zhang, Y. Peng, L. Wang 4:30 ENVR 247. Plastic chemicals in coastal water and beach areas surrounding Japan. H. Kimukai, K. Amamiya, T. Yoneda, K. Koizumi, K. Takatama, Y. Kodera, S. Chung, K. Saido, T. Hiaki 4:55 Concluding Remarks.

SECTION F Boston Convention & Exhibition Center Room 259B

Environmental Biofilm Engineering: Harnessing the Power of Biofilms for Contaminant Removal & Resource Recovery Cosponsored by BIOL H. Beyenal, B. Cao, R. Nerenberg, Organizers, Presiding 1:00 Introductory Remarks. 1:05 ENVR 248. H2-utilizing biofilm embedded with palladium nanoparticles (PdNP-Biofilm): Assembly, characterization, and application in enhancing denitrification. C. Zhou, B.E. Rittmann 1:25 ENVR 249. Spatially resolved abundances of antibiotic resistance genes in biofilms for wastewater treatment. M. Petrovich, A. Rosenthal, J. Griffin, G. Wells 1:45 ENVR 250. Interaction between silver nanoparticles and model wastewater biofilm. C. Walden, W. Zhang 2:05 ENVR 251. Electrochemical and chemical gradients in electrochemically active biofilms. H. Beyenal

2:25 ENVR 252. Resource recovery from wastewater using bioelectrochemical systems: Moving forward with functions. A. Jain, Z. He 2:45 Intermission. 3:00 ENVR 253. Formation of phototrophic granular biofilms for oxygenic wastewater treatment. M. Hann, S. Downes, J. Rodriguez, C. Butler 3:20 ENVR 254. Micro-scale determinants of bacterial biofilm formation in soils. P. Cai 3:40 ENVR 255. Production of extracellular polymeric substances during long term starvation of Pseudomonas putida biofilms in sand columns and their effects on adhesion to quartz sand: A multiscale study. N.I. Abu Lail, S. Ramezaniankeikanloo, C. Kang 4:00 ENVR 256. Fast-growing can be an alternative strategy to fast-settling taken by microorganism to survive extreme selection pressures in aerobic granulation reactors. Y. Sun, Z. Wang 4:20 ENVR 257. Biofilm biology-informed biofilm engineering for environmental biotechnology. B. Cao, Y. Hu, M. Mukherjee 4:40 Concluding Remarks.

SECTION G Boston Convention & Exhibition Center Room 259A

Showcasing Emerging Investigators: A Symposium by the RSC Environmental Science Journals Cosponsored by ENVR and PROF Financially supported by Royal Society of Chemistry S. Keltie, Organizer D. M. Cwiertny, K. McNeill, Organizers, Presiding P. J. Vikesland, Presiding 1:00 Introductory Remarks. 1:05 ENVR 258. Formation and effects of heterogeneous protein-humic surface coatings on nanoparticles. S.M. Louie, S. Shakiba 1:35 ENVR 259. Using carbon nanomaterials to address the grand challenge of clean water for all people. R.E. Rogers 2:05 ENVR 260. Understanding long-range transport of perfluoroalkyl substances and flame retardants. C. Young 2:35 ENVR 261. Reactions at the Fe mineral-water interface: Impact on contaminant fate. B.L. Huhmann, K.A. Rothwell, M. Boyanov, K.M. Kemner, M. Scherer, A. Neumann 3:05 Intermission. 3:20 ENVR 262. Viability and ecology-based tools to improve hazard characterization for environmental antibiotic resistance. N. Fahrenfeld, S. Gallego, A. Eramo, T. Barkay 3:50 ENVR 263. The who, where, and why of the drinking water microbiome. A.J. Pinto 4:20 Concluding Remarks.

SECTION H Boston Convention & Exhibition Center Room 258B

Chemical Reactions at Solid-Water Interfaces of the Natural & Built Environment Absorption Cosponsored by GEOC C. Huang, H. Kim, B. Pan, V. K. Sharma, Organizers R. Doong, Organizer, Presiding C. Dong, D. Lee, Presiding 1:00 Introductory Remarks. 1:05 ENVR 264. Simultaneous oxidation and sequestration of As(III) from water by using redox polymer-based Fe(III) oxide nanocomposite. X. Zhang, Y. Zhang, B. Pan 1:35 ENVR 265. Correlation between the degree of surface ionization and the capacitive deionization efficiency of doped MnO2 electrodes. S. Xu, T. Wang, C. Wang 2:00 ENVR 266. Low-content nitrate removal from aqueous solutions by magnetic cationic hydrogel: Effect of electrostatic adsorption. S. Dong, Y. Wang 2:25 ENVR 267. Phosphate adsorption on lithium cobalt oxide nanoparticles impacts environmental presence and bioavailability. E. Laudadio, D. Jones, P.I. Kashouli, J.W. Bennett, N. Kabengi, S.E. Mason, R.J. Hamers 2:50 Intermission. 3:10 ENVR 268. Novel magnetic carboxyl modified hypercrosslinked resins for effective removal of typical PPCPs. X. Jia, Q. Zhou, C. Shuang, K. Wang 3:35 ENVR 269. Application of cyclodextrin-modified nanoparticles for removal of organic micropollutants. W. Lu, L. Kong, J. Zhan

4:00 ENVR 270. Selective and fluorescence visual adsorption system for efficient removal of highly dilute tetracyclines in water. C. Shen, H. Chen, C. Ma, J. Liu 4:25 ENVR 271. Enhanced removal of phosphate using an activated carbon electrode coated with an ion exchange layer in membrane capacitive deionization. C. Hou, C. Hsu

SECTION I Boston Convention & Exhibition Center Room 257B

Synthetic Biology: The State of the Science Cosponsored by CEI‡, COMSCI and PRES C. Henry, S. O. Obare, Organizers A. M. Noce, K. M. Omberg, Organizers, Presiding 1:00 ENVR 272. Design, construction and analysis of a synthetic minimal bacterial cell. J.I. Glass 1:40 ENVR 273. Construction of a 57-codon genome. N. Ostrov 2:05 ENVR 274. What in the world does synthetic biology governance look like? T. Kuiken 2:30 Intermission. 2:45 ENVR 275. Data-driven cellular capacity optimization. R. Egbert 3:15 ENVR 276. Crop synthetic biology—past/present/ future. J. Okamuro 3:45 ENVR 277. Population-level genome re-sequencing targeting natural populations yields highly resolved molecular targets for biological engineering. W. Muchero 4:15 ENVR 278. Synthesis of genomes & proteomes with radically new properties. G. Church 4:55 Concluding Remarks.

Ion Transport at the Nanoscale: Research & Capabilities at the DOE’s Nano Centers Sponsored by PRES, Cosponsored by ANYL, COLL, COMSCI, ENFL, ENVR, GEOC and SCHB

Molecular Understanding of the Structure & Reactivity of Mineral-Water Interfaces Sponsored by GEOC, Cosponsored by COLL and ENVR

Rational Design of Multifunctional RenewableResourced Materials Synthesis of Renewable Materials Sponsored by CELL, Cosponsored by CARB, ENVR and POLY

Uses of Mass Spectrometry in Agricultural Research & Development : New Trends & Best Practices Sponsored by AGRO, Cosponsored by AGFD, ANYL and ENVR

Environmental Study Design: Current & Emerging Guidelines to Fulfill Regulatory Needs Sponsored by AGRO, Cosponsored by ENVR

Undergraduate Research Posters Environmental Chemistry Sponsored by CHED, Cosponsored by ENVR and SOCED

Showcasing Emerging Investigators: A Symposium by the RSC Environmental Science Journals Cosponsored by ENVR and PROF

MONDAY EVENING SECTION A Boston Convention & Exhibition Center Exhibit Hall B2/C

Sci-Mix J. L. Goldfarb, Organizer 8:00 – 10:00 74, 247. See previous listings. 371, 374, 546, 549, 557-559, 564-565, 573-574, 603, 605, 607-608, 619-621, 629-630, 633, 638, 642-643, 651, 654-655, 658, 665-667, 669, 717-718, 720, 732-733, 738, 740, 744-745, 749, 751-752, 754-757, 811. See subsequent listings.

TUESDAY MORNING SECTION A Boston Convention & Exhibition Center Room 160C

167

TECHNICAL PROGRAM

1:00 ENVR 232. Degradation of polycyclic aromatic hydrocarbons in subcritical water. Y. Yang 1:20 ENVR 233. Removals of chain-like and pin-like freshwater algae by positive ferric-microbubble flotation. B. Thi Thuy, M. Han, V. Nguyen 1:40 ENVR 234. Occurrence, formation, and control of taste and odor compound 2,4,6-trichloroanisole in drinking water systems. H. Zhang, X. He, H. Shi, Y. Ma, T.C. Ganz, T. Eichholz 2:00 ENVR 235. Using a freshwater green alga to remove seven endocrine disrupting chemicals (EDCs) from municipal wastewater effluents. X. Bai, K. Acharya 2:20 ENVR 236. Environmental risks of sulfamethazine and sulfamethoxazole, and their preferential biodegradation from a mixture by a green microalga, Scenedesmus obliquus. J. Xiong, M. Kurade, H. Ahn, B. Jeon 2:40 Intermission. 3:00 ENVR 237. Understanding extracellular polymeric substances impact on lead release in drinking water plumbing systems. Y. Gao, B.F. Trueman, A.K. Stoddart, G.A. Gagnon 3:20 ENVR 238. Toward comprehensively evaluating the daytime potential of piperazine to form carcinogenic nitrosamines: Atmospheric oxidation of piperazine by atomic chlorine. F. Ma, H. Xie, J. Chen 3:40 ENVR 239. New transformation pathway of parabens in plants: Transesterification with alcohols. X. Gong, L. Wang 4:00 ENVR 240. Experimental determination and QSAR model for reaction rate constants of hydroxyl radicals with different dissociation species of antibiotics. X. Luo, X. Wei, J. Chen 4:20 Discussion. 4:30 Concluding Remarks.

TECHNICAL PROGRAM

ENVR Advanced Oxidation for Water Treatment: Applications & Implications Various AOPs: Their Comparative Performance & Models to Study Them

Thermochemical & Biochemical Conversions of Biomass to Biofuels & Biomaterials for Energy & Environmental Applications Hydrogen, Biofuels & Biomass Upgrading

E. Asenath Smith, K. Doudrick, D. Minakata, K. E. O’Shea, W. Song, Organizers D. D. Dionysiou, G. Li Puma, Organizers, Presiding D. Minakata, Presiding 8:00 Introductory Remarks. 8:05 ENVR 279. Cross comparison of advanced oxidation processes (AOPs) for remediation of organic pollutants in water treatment systems. E. Asenath Smith, E. Ambrogi, L. Moores, W. Ballard, J. Brame 8:30 ENVR 280. Degradation kinetics and cytotoxicity analysis of contaminants of emerging concern treated by UV/H2O2 in water reuse. Y. Huang, M. Kong, Y. Liu, S. Coffin, D. Schlenk, K. Cochran, S.D. Richardson, D. Dionysiou 8:55 ENVR 281. Autoxidation of gallic acid to generate reactive oxygen species for removal of organic micropollutants. M. Smith, S. Putnam, B. Solomon, J.L. Ferry 9:20 ENVR 282. Degradation of plant protection products from wastewater with advanced oxidation processes (AOP). A. Mos-Hummel, K. Nonnenmacher 9:45 Intermission. 10:00 ENVR 283. Development of efficient electrochemical anodes for organic pollutant destruction: From bench scale to full scale application. J.C. Crittenden 10:45 ENVR 284. Kinetic study of radical mediated oxidation of pharmaceutical and personal care products in wastewater effluents. W. Song 11:10 ENVR 285. Impact of chloride ions on UV/persulfate and UV/H2O2 advanced oxidiation processes. W. Zhang, J.C. Crittenden 11:35 ENVR 286. Development of an agent-based model to understand and predict the fate of organic compounds in aqueous-phase advanced oxidation processes. E. Coscarelli, R. Zupko, M. Rouleau, D. Minakata

Cosponsored by CATL, CELL, ENFL and I&EC G. Chen, L. Fiori, J. L. Goldfarb, P. He, F. Li, R. Volpe, Organizers M. T. Timko, M. Volpe, M. Zhao, Organizers, Presiding 8:00 ENVR 296. Hydrogen production by Ca-alkaline thermal treatment of biomass. X. Cui, X. Zhao, M. Zhao 8:25 ENVR 297. Study on the hydrogen production possibility of the reaction between dry sewage sludge and alkaline. F. Wang, Y. Fan, M. Zhao 8:50 ENVR 298. Modulating lattice oxygen redox reactions in propane dehydrogenation. S. Chen, L. Zeng, J. Gong 9:15 ENVR 299. Supercritical water upgrading of gumweedderived biocrude. A. Saba, M. Reza 9:40 Intermission. 9:55 ENVR 300. Detailed molecular compositions of citrus waste bio-oil: Application of ultra-high-resolution mass spectrometry. D.C. Palacio, T. Ramirez Reina, R. Volpe, M. Barrow 10:20 ENVR 301. Interaction of furan and benzene derivatives with palladium nanoparticle catalysts and the mechanism of conversion into biofuels. L.O. Mark, J.W. Medlin, H. Heinz 10:45 ENVR 302. Investigating reaction pathways for the formation of nitrogen heterocycles during hydrothermal liquefaction of microalgae. R. Atwi, M.T. Timko, R.H. West 11:10 ENVR 303. Recrystallizating ball-milled cellulose does not recover recalcitrance towards acid catalyzed hydrolysis. M. Tyufekchiev, A. Kolodziejczak, P. Guerra, F. Greenway, M.T. Timko 11:35 ENVR 304. Aldehyde chemistry using CeZrOx catalyst for aqueous hydrocarbon upgrading. A.R. Maag, A. Paulsen, P. Yelvington, T. Amundsen, G. Tompsett, M.T. Timko

SECTION B

SECTION D

Boston Convention & Exhibition Center Room 161

Boston Convention & Exhibition Center Room 162B

Fate of Nanomaterials in Consumer Products: Transformation & Transportation in the Environment

Novel Treatment Approaches for Emerging Contaminants in Groundwater Systems

S. R. Al-Abed, P. Potter, Organizers, Presiding 8:30 Introductory Remarks. 8:35 ENVR 287. Framework and pilot tool for the risk-based prioritization of nano-enabled consumer products. T. Rycroft, I. Linkov 8:55 ENVR 288. Aqueous transformation of indium tin oxide (ITO) nanoparticles with varying tin content. J. Grundy, L.E. Katz, N.B. Saleh, M. Kirisits 9:15 ENVR 289. The transport of nanoparticles from model polymer nanocomposites to the environment: influence of different acids and other environmental species. P.J. Gray, J. Hornick, A. Sharma, R.G. Weiner, T.V. Duncan 9:35 ENVR 290. Factors influencing quantum dot dissolution in aqueous environments. P. Paydary, P. LareseCasanova 9:55 ENVR 291. Effects on metal leaching from quantum dot polymer nanocomposites by simulated landfill conditions. C.A. Johnson, A.M. Dennis, J.L. Goldfarb 10:15 Intermission. 10:35 ENVR 292. Release of ZnO nanoparticles from coated surfaces: Effect of particle size and surface age. J.G. Clar, S. Boggins, S. Thornton, T. Luxton 10:55 ENVR 293. Determining the release of carbon nanotubes from CNT-polymer composites during accelerated weathering. E. Sahle-Demessie, C. Han 11:15 ENVR 294. Examining the impact of nanomaterials on HDPE landfill liners. L. Boateng, J. Flora, N.D. Berge 11:35 ENVR 295. Development of quantitative structure activity relationships (QSARs) for prediction of nanoparticle titanium dioxide (n-TiO2) aggregation in the presence of high concentrations of emerging organic contaminants (EOCs). J. Lee, S. Bartelt-Hunt, Y. Li

Cosponsored by AGRO‡, ANYL and GEOC N. Capiro, D. E. Helbling, M. Li, Organizers, Presiding 8:00 Introductory Remarks. 8:05 ENVR 305. Aerobic cometabolism of 1,4-dioxane and mixtures of chlorinated aliphatic hydrocarbons by microorganisms grown on isobutane: Pure culture and microcosm kinetic studies. H. Rolston, K. Krippeahne, M. Azizian, M. Hyman, L. Semprini 8:35 ENVR 306. Cometabolic degradation of 1,4-dioxane and Co-contaminants by a novel Gram-negative propanotrophic bacterial isolate. M. Li, D. Deng, F. Li, C. Wu 9:00 ENVR 307. Isolation of novel 1,4-dioxane degraders and investigation of responsible catabolic genes. Y. He, J. Mathieu, P.J. Alvarez 9:25 ENVR 308. Discovering and sorting potential 1,4-dioxane degrading bacteria by fluorescence in situ hybridization and flow cytometry using phylogenetic or functional oligonucleotide probes. Y. Yang, M. Li, Y. He, J. Mathieu, P.J. Alvarez 9:50 Intermission. 10:10 ENVR 309. Sustained in situ chemical oxidation (ISCO) of 1,4-dioxane and chlorinated VOCs using slow release chemical oxidant cylinders. P.J. Dugan, P. Evans, M. Crimi, N. Ruiz, M. Lamar, J. Hooper, D. Nguyen 10:40 ENVR 310. Laboratory and pilot-scale testing of alternative water treatment technologies for 1,4-dioxanecontaminated groundwater in Long Island, NY. A. Venkatesan, Y. Tang, X. Mao, C. Gobler, H. Walker 11:05 ENVR 311. Biodegradation potential of 1,4-dioxane in high salinity environment. C. Chen, S. Lei, K. Chu 11:30 ENVR 312. Polymerization in place: Enzymatic oxidation to immobilize polyfunctional halogenated aromatics in groundwater. F. Wang, S. Frankenfield, T.M. Makris, J.L. Ferry 11:55 Concluding Remarks.

SECTION C Boston Convention & Exhibition Center Room 162A

SECTION E Boston Convention & Exhibition Center Room 260

Green Chemistry & the Environment Cosponsored by CEI A. Balu, R. Luque, Organizers S. O. Obare, N. Vaidya, Organizers, Presiding

168

8:00 Introductory Remarks. 8:05 ENVR 313. Latest technical advances towards green chemistry adoption. D.J. Constable 8:45 ENVR 314. Translating research into practical tools: A case study of GenRA, a new read-across tool. A.J. Williams, G. Helman, J. Edwards, I. Shah, G. Patlewicz 9:10 ENVR 315. Promoting safer chemical selection in textile auxiliaries: Success at reducing and eliminating CMRs and PBTs in the supply chain. M.H. Whittaker 9:35 ENVR 316. Achieving greater accuracy for toxicity estimation using the latest technologies. N. Vaidya 10:00 Intermission. 10:15 ENVR 317. Prediction of myocardial toxicity of HCFC-22 by MEMS cell device and computational toxicology. T. Takakuwa, T. Hasegawa, H. Matsumoto, K. Kuramoto 10:35 ENVR 318. Iron- and enzyme based tools for enhancing the value of biomass building blocks. P. Dunas, A.J. Paterson, S.E. Lewis, N. Kann 10:55 ENVR 319. Enzymatic characterization of a novel NADH dependent azoreductase from Klebsiella pneumoniae. S. Dixit, S. Garg 11:15 ENVR 320. Computational evaluation of mixtures of refrigerants, ionic liquids and deep eutectic solvents for absorption refrigeration systems. R. Abedin, S. Heidarian, J. Flake, F. Hung 11:35 ENVR 321. Developing an understanding of electronic waste flow for the United States. E. SahleDemessie, J.A. Glaser, T. Richardson

SECTION F Boston Convention & Exhibition Center Room 259B

Environmental Biofilm Engineering: Harnessing the Power of Biofilms for Contaminant Removal & Resource Recovery Cosponsored by BIOL H. Beyenal, B. Cao, R. Nerenberg, Organizers, Presiding 8:30 Introductory Remarks. 8:35 ENVR 322. Mycoremediation: Evaluating fungal metagenomics and biofilm association in PAH-contaminated estuarine sediments. S. Volkoff, C.K. Gunsch 8:55 ENVR 323. Electrically driving the microbial conversion of nitrogen gas into ammonia fuels and fertilizers. D.F. Call, J. Ortiz Medina, A. Grunden, M. Hyman 9:15 ENVR 324. Intimate coupling of photocatalysis and microbial fuel cell for enhanced 2,4,6-trichlorophenol degradation and power generation. H. Hou 9:35 ENVR 325. Kinetics-based method for determining the distribution of AOB and NOB in aerobic granular sludge in a microplate reader. T. Kent, Z. Wang, C. Bott 9:55 ENVR 326. In Situ molecular imaging of microbial communities. X. Yu 10:15 Intermission. 10:30 ENVR 327. Impact of biofilms on the retention of pathogens in engineered infiltration system (EIS). Y. Zhang, A. Fraser, C. Wayner, S. Preheim 10:50 ENVR 328. Gaseous volatile organic compounds removal and power generation in a microbial fuel cell. S. Zhang, J. You, N. An 11:10 ENVR 329. Mediating initial biofilm formation on biocarriers: From a perspective of QCM-D. H. Huang, P. Peng, Y. Lin, H. Ren 11:30 ENVR 330. Harnessing biofilm robustness in a Pilot Scale Membrane Aerated Biofilm Reactor (MABR) for process intensification. S. Bagchi, D. Coutts, K. Gordon, D. Houweling, S. Sathyamoorthy 11:50 Concluding Remarks.

SECTION G Boston Convention & Exhibition Center Room 259A

Advanced Materials for Energy & the Environment: Design, Fabrication & Application Cosponsored by CEI and ENFL X. Ling, Organizers L. Arava, E. Ryan, Organizer, Presiding 8:15 Introductory Remarks. 8:20 ENVR 331. Defining conduction pathways in cathode materials: Resolving ionic logjams through atomistic design and mesoscale structuring. S. Banerjee 9:00 ENVR 332. Natural dye based organic lithium ion battery electrodes: Lithium storage mechanistic studies. G. John, M. Miroshnikov, K. Kato, L. Arava, P.M. Ajayan 9:25 ENVR 333. Mesoscale insights into Li-sulfur battery charge transport. P.P. Mukherjee, A. Mistry

SECTION H Boston Convention & Exhibition Center Room 258B

Chemical Reactions at Solid-Water Interfaces of the Natural & Built Environment Absorption Cosponsored by GEOC R. Doong, C. Huang, H. Kim, B. Pan, V. K. Sharma, Organizers Y. Shih, S. Virender K, J. Wang, Presiding 8:15 Introductory Remarks. 8:20 ENVR 339. Desorption role of in situ electrokinetics for remediating the lead contaminated soils. J. Chang 8:45 ENVR 340. Adsorption of sulfamethoxazole and sulfapyridine antibiotics in high organic content soils. W. Chen, K. Chen 9:10 ENVR 341. Uptake of phosphorus from water using red-mud-based ceramic media. Y. Ahn, A. Maksachev, M. Kim, J.H. Lee, H. Kim 9:35 ENVR 342. Agriculturally-relevant P(III)-containing mono-, di-, and tri-oxyanions - adsorption onto iron and manganese oxyhydroxides, and subsequent hydrolysis and oxidation reactions. W. Liao, A.T. Stone 10:00 Intermission. 10:20 ENVR 343. Fluoride at waste oyster shell surfaces: Role of magnesium. H. Chang, Y. Kuo, J. Liu 10:45 ENVR 344. Fluoride removal with aluminum and calcium modified sand in aqueous solution. M. Hsieh, C. Huang, S. Park 11:10 ENVR 345. Strontium removal from wastewater through co-precipitation with barite. H. Hunter, F.T. Ling, J.P. Fitts, C.A. Peters 11:35 ENVR 346. Formation and stabilization of Ag, Au, and Ag-Au bimetallic nanoparticles in natural environment: Role of dissolved organic matter. V.K. Sharma, S. Banerjee

1:35 ENVR 347. Destruction of Microcystin Variants by UV/chlorine process: Influence of variable amino acids on the degradation kinetics and reaction mechanism. M. Kong, X. Duan, D.D. Dionysiou 2:05 ENVR 348. N-nitrosamine, halogenated disinfection byproduct, and byproduct precursor control in UV/ free chlorine and UV/H2O2 treatment trains: A parallel comparison in a pilot plant. Y. Chuang, A. Szczuka, W. Mitch 2:30 ENVR 349. Factors affecting the roles of reactive species in the degradation of micropollutants by the UV/ chlorine process. Z. Wu, K. Guo, X. Kong, J. Fang 2:55 ENVR 350. Degradation of PPCPs by chlorine-UV advanced oxidation process in ammoniacal water. P. Sun, R. Zhang, C. Huang, L. Zhao 3:20 Intermission. 3:35 ENVR 351. Reactivity of chromophoric dissolved organic matter (CDOM) with sulfate radical: Reaction kinetics and structural transformation. S. Zhang, V. Rouge, J. Croue 4:00 ENVR 352. Transformation of dissolved organic matter in ultraviolet (UV) photolysis and UV-based advanced oxidation processes. P. Varanasi, M. Khaksari, L.R. Mazzoleni, D. Minakata 4:25 ENVR 353. Effect of seawater natural organic matter on oxidation process by ozone and bromine. K. Kim, H. Kye, Y. Abrha, Y. Jung, S. Nam, I. Choi, J. Kang 4:50 ENVR 354. Role of natural organic matter in photolytic and photocatalytic decomposition of ciprofloxacin in water. S. Li, J. Hu, W. Sun

SECTION B Boston Convention & Exhibition Center Room 161

Fate of Nanomaterials in Consumer Products: Transformation & Transportation in the Environment

Rational Design of Multifunctional RenewableResourced Materials Nanoparticle Structures & Properties

S. R. Al-Abed, P. Potter, Organizers, Presiding 1:30 ENVR 355. Transformation of silver nanoparticles in consumer products during usage and disposal scenarios. P. Potter, S.R. Al-Abed, J. Navratilova, K.R. Rogers 1:55 ENVR 356. Assessing the interaction of silver nanoparticles with various artificial sweat formulations. D.M. Peloquin, A. Gitipour, E. Baumann, T. Luxton 2:20 ENVR 357. Ag/LDPE nanocomposites as a model system to evaluate release from consumer products. R.G. Weiner, A. Sharma, H. Xu, T.V. Duncan 2:45 ENVR 358. Release of metal nanoparticles from painted surfaces in contact with water. A. Abdul Rahim, S. Ghoshal 3:10 Intermission. 3:30 ENVR 359. Chemical transformation of silvernanomaterial containing textiles after disposal. D.E. Gorka, J.M. Gorham 3:55 ENVR 360. Release of silver nanomaterials from textiles: Influence of artificial wearing on nanomaterial characteristics. D. Patch, V. Gagnon, I. Koch, D. O’Carroll, K.P. Weber 4:20 ENVR 361. Toxicity and fate of pristine and aged silver nanomaterials in agricultural soil-plant systems. D. Gray, V. Gagnon, D. O’Carroll, K.P. Weber 4:45 ENVR 362. Fate and effect of wastewater-borne manufactured nanomaterials in aquatic ecosystems (FENOMENO). B. Steinhoff, W.C. Muganda, H. Schonherr 5:10 Concluding Remarks.

Sponsored by CELL, Cosponsored by CARB, ENVR and POLY

SECTION C

Non-Extractable Residue (NER) Bio-Accessibility & Potential Risks

Boston Convention & Exhibition Center Room 162A

Synthesis & Chemistry of Agrochemicals ACS Industrial Chemistry Award Symposium in honor of George P. Lahm Sponsored by AGRO, Cosponsored by AGFD, ENVR, I&EC‡ and ORGN

Sponsored by AGRO, Cosponsored by ANYL and ENVR

TUESDAY AFTERNOON SECTION A Boston Convention & Exhibition Center Room 160C

Advanced Oxidation for Water Treatment: Applications & Implications Various AOPs: UV/Chlorine & DOM, & Ions in Their Processes E. Asenath Smith, D. D. Dionysiou, K. Doudrick, G. Li Puma, D. Minakata, Organizers K. E. O’Shea, W. Song, Organizers, Presiding D. Minakata, Presiding 1:30 Introductory Remarks.

Thermochemical & Biochemical Conversions of Biomass to Biofuels & Biomaterials for Energy & Environmental Applications Biochars & Renewable Carbons Cosponsored by CATL, CELL, ENFL and I&EC L. Fiori, J. L. Goldfarb, F. Li, M. T. Timko, M. Volpe, M. Zhao, Organizers G. Chen, P. He, R. Volpe, Organizers, Presiding 1:30 ENVR 363. Biochar as a substitute for carbon black in ink production. V. Hulse, S. Williams, T. Trabold, S. Barber 1:55 ENVR 364. Effect of air-oxidation of biomass chars on absorption of contaminants. Y. Yang, J.J. Pignatello 2:20 ENVR 365. Evaluation of biochar-amended biofilters for bisphenol A removal combined with batch sorption and fixed-bed column. L. Lu, B. Chen 2:45 ENVR 366. Potential of sewage sludge pyrolyzed biochar as soil amendment: Phosphorous speciation and recovery. Y. Tang, M. Li, Y. Xia, B. Li

3:10 ENVR 367. Speciation transformation of iron and sulfur during thermochemical processing of sewage sludges and its relevance to the sorptive property of sludge biochars. R. Huang, Y. Tang 3:30 Intermission. 3:45 ENVR 368. Synthesis of hierarchical porous carbon from dairy manure and eggshell for high-performance supercapacitor electrode materials. X. Qi, F. Shen 4:05 ENVR 369. The potential of pyrolytic sewage sludge as a novel bio-filler for styrene-butadiene rubber. Y. Fan, G.D. Fowler, C. Norris, M. Zhao 4:30 ENVR 370. Understanding the mechanism of soil water repellency at nanoscale. J. Mao, B. Chen 4:55 ENVR 371. Production of sustainable biofuels and advanced carbon materials from the hydrothermal carbonization of Agave Americana. M. Volpe, L. Fiori, L. Gao, J.L. Goldfarb 5:20 Concluding Remarks.

SECTION D Boston Convention & Exhibition Center Room 162B

Novel Treatment Approaches for Emerging Contaminants in Groundwater Systems Cosponsored by AGRO‡, ANYL and GEOC N. Capiro, D. E. Helbling, M. Li, Organizers, Presiding 1:30 Introductory Remarks. 1:35 ENVR 372. Development of reactive materials for in situ treatment of poly and per-fluoroalkyl substances (PFAS). K.D. Pennell, C. Liu, Y. Aly, N. Capiro, J. Fortner, J. Hatton, W. Arnold, M.F. Simcik 2:05 ENVR 373. Removal of perfluoroalkyl substances (PFAS) from drinking water. C. Hoffman, J. Johnson, D. Smith, Z. Xia 2:30 ENVR 374. Substrate-mediated biotransformation and biodefluorination of 6:2 FTOH by Mycobacterium and Rhodococcus species. C. Wu, D. Deng, L. Clark, M. Li 2:55 ENVR 375. Bioattenuation and adaptive shifts of microbial community in response to a fixed-volume pilotscale release of an ethanol blend. L. Zhu, Z. Yu, P.J. Alvarez, W. Rixey, Y. Wang 3:20 Intermission. 3:40 ENVR 376. Innovations in groundwater remediation driven by extremely challenging, emerging contaminants: The prototypical example of 1,2,3-trichloropropane (TCP). P.G. Tratnyek, A. Salter-Blanc, T. Torralba-Sanchez, Y. Lan, G. O’Brien Johnson, R. Johnson, E.J. Bylaska 4:10 ENVR 377. Fungi-augmented biofilters for the removal of energetic compounds from stormwater runoff and groundwater. R. Valenca, S. Kalra, A.G. Lothe, S. Mahendra, S.K. Mohanty 4:35 ENVR 378. Groundwater water matrices significantly enhanced the remeidaiton of PPCPs by zero-valent iron (Fe0) activated peroxydisulfate (PDS) system at neutral condition. A. Li, Z. Wu, T. Wang, J. Fang 5:00 ENVR 379. Harnessing woodchips to remove pharmaceuticals and anticorrosive substances. Y. Tseng, W. Lai, H. Tung, R.G. Luthy, A.Y. Lin 5:25 Concluding Remarks.

SECTION E Boston Convention & Exhibition Center Room 260

Green Chemistry & the Environment Cosponsored by CEI A. Balu, R. Luque, Organizers S. O. Obare, N. Vaidya, Organizers, Presiding 1:30 Introductory Remarks. 1:35 ENVR 380. Synthesis of nanoparticles in supercritical fluids: A green approach to producing green technologies. M.M. Lane, J.B. Zimmerman 2:00 ENVR 381. Advances in separation technologies are reducing solvent use and are even able to provide for some solvent free processes, allowing for greener analyses that are performed with higher efficiency. J.P. McCauley 2:25 ENVR 382. Behaviors of biosorption and desorption of antimony by naturally occurring cyanobacteria Microcystis. F. Sun, D. Shi, S. Liu 2:50 ENVR 383. Reclamation of copper from solution as the copper carbonate pellet by a fluidized-bed hom*ogeneous crystallization (FBHC) process. I. Suciani, Y. Shih, Y. Huang 3:15 ENVR 384. Current approaches to solvent replacement and future solutions of doing chemistry in aqueous medium: Discovery of environmentally friendly catalyst MCAT-53TM. A. Mehta 3:40 Intermission.

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9:50 ENVR 334. Electrocatalytically active electrodes for high energy density Li-S and Li-Ion sulfur batteries. A. Sawas, G. Babu, N. Thangavel, L. Arava 10:10 Intermission. 10:25 ENVR 335. Molecular rearrangements of chalcogenides for high energy density lithium batteries. G. Babu, S. Susarla, A.M. Pulickel 10:50 ENVR 336. Metallic MoS2 for high performance energy storage and energy conversion. H. Zhu, Y. Jiao 11:15 ENVR 337. Rare earth nickelate cathodes for SOFCs in high oxygen partial pressure environments. J. Banner, S. Gopalan 11:35 ENVR 338. Common tattoo chemical for energy storage: Henna-inspired napthoquinone materials for green lithium – ion batteries. M. Miroshnikov, K. Kato, G. Babu, D. Kizhmuri Parappuram, L. Arava, P.M. Ajayan, G. John

TECHNICAL PROGRAM

ENVR 3:50 ENVR 385. Switchable micellar solvent systems: Discussing the potential of hom*ogenous catalysis in water guided by techno-economic assessment and life cycle assessment. J. Wunderlich, R. Schomaecker 4:15 ENVR 386. Exploration of tunable melanin-like polymers obtained through biocatalysis. R.M. Bouldin, N. Buttafuoco 4:40 ENVR 387. Plastic waste valorization to liquid fuel using Fe based zeolites. U. Dwivedi 5:05 ENVR 388. Potential of starch nanocrystals grafted by lactic acid (SNCs-g-LA) as a nucleating agent on the crystallization behaviour and phase transitions rate of PLA. F. Sharafi

SECTION F Boston Convention & Exhibition Center Room 259B

C. Ellen Gonter Environmental Graduate Student Award Symposium Cosponsored by PROF T. Anderson, Organizer, Presiding 1:30 Introductory Remarks. 1:40 ENVR 389. Impact of dissolved oxygen and pH on the extent and products of selenium(VI) removal by iron electrocoagulation. Y. Bae, N.M. Crompton, J.G. Catalano, D. Giammar 2:05 ENVR 390. Removing contaminants of emerging concern by UV/NO3−/HCO3−: The role of carbonate radical in water reuse and detoxification. Y. Huang, M. Kong, Y. Liu, G. Xu, S. Coffin, D. Schlenk, S. Richardson, D. Dionysiou 2:30 ENVR 391. Mineral- and base-catalyzed hydrolysis of organophosphate flame retardants: Potential major fatecontrolling sink in soil and aquatic environments. Y. Fang, E. Kim, T.J. Strathmann 2:55 Intermission. 3:15 ENVR 392. Surface enhanced Raman spectroscopy (SERS) based optofluidics for whole cell analysis. M. Willner, K. McMillan, D. Graham, M. Zagnoni, P.J. Vikesland 3:40 ENVR 393. Digestion coupled with programmed thermal analysis for quantification of multiwall carbon nanotubes in plant tissues. K.K. Das, L. Bancroft, X. Wang, J. Chow, B. Xing, Y. Yang 4:05 Concluding Remarks.

SECTION G Boston Convention & Exhibition Center Room 259A

Advanced Materials for Energy & the Environment: Design, Fabrication & Application Cosponsored by CEI and ENFL X. Ling, Organizers L. Arava, E. Ryan Organizer, Presiding 1:30 ENVR 394. Efficient heavy metal removal from industrial melting effluent using fixed-bed process based on porous hydrogel adsorbents. J. Luo, G. Zhou, J.C. Crittenden, C. Liu 1:50 ENVR 395. Heavy metal removal from aqueous systems using electrospun nanofibers. S. Zhang, Q. Shi, X. Meng 2:10 ENVR 396. Photoregenerable adsorbent composite nanomaterial for water treatment. M. Suh, Y. Shen, C.K. Chan, J. Kim 2:30 ENVR 397. Photoelectrochemical hydrogen peroxide generation using anthraquinone-modified carbon nitride. Q. Zhu, J. Kim, S. Hu 2:50 Intermission. 3:05 ENVR 398. Mechanistic studies of As (III) remediation over developed iron oxide-biochar nanocomposites: Sorption studies and characterization. P. Singh, D. Mohan 3:25 ENVR 399. New method for nitrate remediation from water. L.T. Tran, J. Fulton 3:45 ENVR 400. Rational design of antifouling polymeric nanocomposite for sustainable fluoride removal from NOMrich water. X. Zhang, B. Pan

SECTION H Boston Convention & Exhibition Center Room 258B

Chemical Reactions at Solid-Water Interfaces of the Natural & Built Environment Redox Cosponsored by GEOC R. Doong, C. Huang, B. Pan, V. K. Sharma, Organizers H. Kim, Organizer, Presiding J. Liu, T. Wang, Presiding 1:30 Introductory Remarks.

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1:35 ENVR 401. Immobilization of bimetallic zerovalent iron nanoparticles onto low dimensional supports for enhanced hydrodechlorination of trichloroethylene. R. Saha, F. Tsou, R. Doong 2:05 ENVR 402. Nickel oxide as anode and Ni-based electroless decorated copper as cathode for selective conversion of ammonia in aqueous solution. Y. Shih, Y. Huang 2:30 ENVR 403. Observation of methyl radicals in the reaction of aluminum supported zero-valent iron with water. H.L. Lien, T. Lin, K. Yao 2:55 ENVR 404. Fabrication and performance of magnetite-modified carbon black composite for the catalytic oxidation of PAEs in marine sediments. C. Chen, C. Dong, S. Lyu, C. Hung 3:20 Intermission. 3:40 ENVR 405. Microwave-assisted ferrate oxidation of cellulose for greener biomass pretreatment. W. Den, S. Tulaphol 4:05 ENVR 406. Impacts of sulfur distribution on the reactivity of nanoscale zerovalent iron to chlorinated solvents. S. Ghoshal 4:30 ENVR 407. Catalytic reduction of p-nitrophenol by magnetite in the presence of NaBH4. S. Bae, K. Hanna 4:55 ENVR 408. Formation and transformation of the protein corona on catalytic and food-grade TiO2 nanoparticles in the presence of pre-adsorbed dissolved organic matter. K. Doudrick, J. Kim

Synthesis & Chemistry of Agrochemicals Kenneth A. Spencer Award: Symposium in Honor of Thomas M. Stevenson Sponsored by AGRO, Cosponsored by AGFD, ENVR, I&EC‡ and ORGN

Rational Design of Multifunctional RenewableResourced Materials New Applications Sponsored by CELL, Cosponsored by CARB, ENVR and POLY

WEDNESDAY MORNING SECTION A Boston Convention & Exhibition Center Room 160C

Advanced Oxidation for Water Treatment: Applications & Implications Materials for AOPs: Transition Metals & Minerals D. D. Dionysiou, G. Li Puma, D. Minakata, K. E. O’Shea, W. Song, Organizers E. Asenath Smith, K. Doudrick, Organizers, Presiding 8:15 Introductory Remarks. 8:20 ENVR 409. Hydroxyl radical production from copper phosphide and water only for advanced oxidation process. H. Kim, W. Choi 8:45 ENVR 410. Explore the mechanism of heterogeneous catalytic ozonation in different water matrices. W. Yang, N. Perinovic, T. Wu 9:10 ENVR 411. Effective photodegradation of antibiotic cephalexin by ZnO nanowires under simulated sunlight. J. He, Y. Zhang, G. Rhodes, J. Yeom, H. Li, W. Zhang 9:35 ENVR 412. Mesoporous Ce-Ti-Zr ternary oxide millispheres for efficient catalytic ozonation in bubble column. C. Shan, Y. Xu, M. Hua, M. Gu, Z. Yang, P. Wang, Z. Lu, W. Zhang, B. Pan 10:00 Intermission. 10:15 ENVR 413. Internal polarization modulation in Bi2MoO6 for photocatalytic performance enhancement under visible light illumination. Y. Chen, W. Yang, S. Gao, L. Zhu, C. Sun, Q. Li 10:40 ENVR 414. Activation of persulfate by nickel oxide for oxidation of organic compounds: Effects of size and sintering temperature on mechanism conversion. H. Kim, H. Jung, H. Lee, J. Choi, D. Lee, C. Lee 11:05 ENVR 415. Advanced oxidation treatment using clay minerals to remove antibiotic resistance genes in wastewater. P. Adamou, A. Neumann, D. Graham 11:30 ENVR 416. Using clay minerals in an advanced oxidation process for water treatment: insights from kinetic studies. K. Zakaria, Y. Ding, L. Chen, A. Neumann

SECTION B Boston Convention & Exhibition Center Room 161

From Lab to Tap: Implications of Scaling Up NanoEnabled Environmental Technologies Cosponsored by ANYL K. D. Hristovski, M. S. Wong, Organizers A. C. Barrios, M. Lanzarini-Lopes, S. Pedersen, Organizers, Presiding 8:15 Introductory Remarks. 8:20 ENVR 417. Aqueous-processed, high-capacity electrodes for membrane capacitive deionization. A. Jain, J. Kim, O. Oluwaseye, C. Weathers, D. Cana, K. Zuo, W.S. Walker, Q. Li, R. Verduzco 8:45 ENVR 418. Removal of di-valent cations using ionselective capacitive deionization. J. Kim, A. Jain, K. Zuo, R. Verduzco, Q. Li 9:10 ENVR 419. Resin-modified capacitive deionization for selective uptake and removal of sulfate. K. Zuo, J. Kim, A. Jain, T. Wang, R. Verduzco, Q. Li 9:35 ENVR 420. RC circuit modeling of desalination performance of multicell membrane capacitive deionization (MCDI) systems for desalination of brackish water. O. Oluwaseye, W.S. Walker, A. Jain, J. Kim, Q. Li, R. Verduzco 10:00 Intermission. 10:15 ENVR 421. Towards a mechanistic understanding of the selective adsorption of arsenic over competing phosphate by nano-enabled, transition metal cross-linked chitosan. L.N. Pincus, A.W. Lounsbury, J.B. Zimmerman 10:40 ENVR 422. Nano-enabled hydroxyapatite based media for removal of fluoride from water. J. Markovski, D. Veljovic, K.D. Hristovski 11:05 ENVR 423. Low removal of As (V) and Cr (VI) by POU devices until enabled with selective ion exchange media. L. Dietrich, A.J. Atkinson, A. Venkatesan, P.K. Westerhoff 11:30 ENVR 424. Comparison of graphene oxide impregnated with ionic or nano silver for bromide removal from surface waters. A.C. Barrios, J. Kidd, O. Apul, P.K. Westerhoff, F. Perreault 11:55 Concluding Remarks.

SECTION C Boston Convention & Exhibition Center Room 162A

Physicochemical & Biological Phenomena on Sorbent Surfaces in Environmental Applications Cosponsored by BIOL S. Bae, J. Choe, Y. Choi, D. Werner, Organizers, Presiding 8:15 Introductory Remarks. 8:20 ENVR 425. Tailoring the surface of biowastes for their application as adsorbents of antibiotics. A.E. Navarro, M.S. Islam, T. Demeke 8:40 ENVR 426. Interaction mechanisms between biochar and microbes, and their pivotal roles on reducing environmental risks of soil contaminants. X. Zhu, R. Schroll, Y. Wang, U. Dörfler, L. Zhu, B. Xing, Y. Zhang, B. Chen 9:00 ENVR 427. Modelling pollutant transformations in biochar or activated carbon amended soils and sediments. D. Werner 9:20 ENVR 428. Activated carbon amendment for treatment of sediment contaminated with DDT and other hydrophobic organic pollutants concentrated 10-100x more than prior studies. C.C. Pritchard, Y. Cho, R.G. Luthy 9:40 ENVR 429. HOC mass transfer modeling with consideration of bioturbation and on-going sediment influx. Y. Cho, D. Werner, Y. Choi, R.G. Luthy 10:00 Intermission. 10:15 ENVR 430. Resiliency of biochar-amended woodchips-biofilter to remove nitrate from urban stormwater during climate change. S.K. Mohanty, A. Berger, R. Valenca 10:55 ENVR 431. Additive remediation effectiveness of activated carbon amendment on fungal degradation of fluorene and its heteroatomic analogs: Dibenzofuran, dibenzothiophene, and carbazole. Z. Zhang, Y. Cho, J. Wolfand, Y. Choi, R.G. Luthy 11:15 ENVR 432. QSARs to predict distribution coefficients of polar organic micropollutants on activated carbon and β-cyclodextrin polymers. Y. Ling, M. Klemes, W.R. Dichtel, D.E. Helbling 11:35 ENVR 433. Adsorption kinetic and equilibrium study for removal of mercuric chloride by CuCl2-impregnated activated carbon sorbent. J. Lee, V. Sriram 11:55 Concluding Remarks.

SECTION D Boston Convention & Exhibition Center Room 162B

Catalysis for Environmental & Energy Applications Cosponsored by CATL, CELL, ENFL and I&EC A. Orlov, A. Savara, Organizers, Presiding

SECTION E Boston Convention & Exhibition Center Room 260

Green Chemistry & the Environment Cosponsored by CEI A. Balu, R. Luque, Organizers S. O. Obare, N. Vaidya, Organizers, Presiding 8:00 Introductory Remarks. 8:05 ENVR 443. Public health risks from non-sustainable practices of rudimentary e-Waste recycling. K. Hibbert, O.A. Ogunseitan 8:30 ENVR 444. Electronic plastics waste management challenges and opportunities. J.A. Glaser, E. SahleDemessie, T. Richardson 8:55 ENVR 445. Cathode ray tubes (CRTs): Best practices and common challenges. D.T. Gallo 9:20 ENVR 446. Framework for assessing e-waste material flows from emerging technologies. S. Lee 9:40 Intermission. 9:50 ENVR 447. S/N migration during Shenmu coal pyrolysis and characteristics of semi-co*ke. L. He, S. Li, Y. Ma 10:10 ENVR 448. Oxidation of lignin-rich residue from deacetylation, mechanical refining, and enzymatic hydrolysis of lignocellulose. J. Kruger, D. Brandner, C. Amador, A. Mittal, G. Beckham 10:30 ENVR 449. Sustainable biomass-derived nanocellulose as anti-biofouling layer for membranes. P. Hadi, M. Yang, H. Walker, B.S. Hsiao 10:50 ENVR 450. Yolk–shell nanoarchitecture of rutile– expanded core and its heterojunction with black TiO2 using one-step, fast and ecofriendly PLAL synthesis. A. Balati, A. Bazilio, K. Nash, H. Shipley 11:10 ENVR 451. Improved nitrogen management of urea fertilizers via novel molecular crystal design. K. Honer, L. Casali, F. Grepioni, D. Braga, S.L. Ciurli, J. Baltrusaitis 11:30 ENVR 452. Rapid removal of pharmaceuticals, phosphates and metal from wastewater using fast pyrolysis biochar from waste Douglas fir. A.G. Karunanayake, R. Anderson 11:50 Discussion.

SECTION F Boston Convention & Exhibition Center Room 259B

Electrical/Electrochemical Technologies for Environmental Applications Cosponsored by ENFL B. P. Chaplin, D. Wang, X. Xie, Y. Yang, Organizers, Presiding 8:00 Introductory Remarks. 8:05 ENVR 453. In situ/operando soft x-ray spectroscopy of energy, environment and chemical sciences. J. Guo 8:45 ENVR 454. Short-circuited closed-cycle operation of flow-electrode CDI: Energy-saving applications for brackish water softening. J. Ma, C. He, C. Zhang, D. Waite

9:10 ENVR 455. Electrocatalytic oxidation degradation of ammonia nitrogen wastewater. Z. Yang, G. Yan, S. Guo 9:35 ENVR 456. The mechanism of hydroxyl radical generation and degradation of refractory organics in hierarchical-porous-carbon-monolith cathode. Y. Hongtao, C. Wang, Y. Guo, S. Wu 10:00 Intermission. 10:15 ENVR 457. Earth abundant elements based dimensionally stable anodes for generation of reactive chlorine species and water treatment. K. Cho, S. Hong, E. Rahman, S. Hong 10:40 ENVR 458. Improving adsorption rate and capacity of capacitive deionization with polyelectrolyte coated bitortuous electrodes. A.P. Bhat, E. Reale, M. del Cerro, K. Smith, R.D. Cusick 11:05 ENVR 459. Efficient photoelectrocatalytic oxidation of dimethyl phthalate on novel TiO2/Ti photoelectrode with nearly 100% exposed (001) facets. S. Han, Q. Niu, Y. Zhang, G. Zhao 11:30 ENVR 460. Water treatment technologies based on the electrokinetic effect of pollutants. C. Hu, H. Liu, J. Qu 11:55 Concluding Remarks.

10:45 ENVR 474. Fabrication of reduced graphene oxidemodified electrodes toward electroanalytical determination of sulfamethoxazole in aqueous environments. Y. Hong, T. Lee, Y. Chen, C. Chen 11:10 ENVR 475. Adsorption and catalytic reaction of chlorpheniramine and its nitrosamine formation potential on the nano-sized graphene oxide-iron oxide composite. W. Chen, J. Huang

Functional Materials from Biopolymer Self-Assembly & Self-Organization Sponsored by CELL, Cosponsored by CARB, COLL, ENVR and POLY

Synthesis & Chemistry of Agrochemicals Sponsored by AGRO, Cosponsored by AGFD, ENVR, I&EC‡ and ORGN

Visualizing Heavy Element Contamination in the Environment at the Nanoscale Sponsored by GEOC, Cosponsored by ENVR and NUCL

AGRO-SETAC Joint Symposium: Role of Monitoring Data in Advancing Regulatory Risk Assessment

SECTION G

Sponsored by AGRO, Cosponsored by ENVR

Boston Convention & Exhibition Center Room 259A

Atmospheric Fate & Transport of Volatilized Agricultural Emissions

Advanced Materials for Energy & the Environment: Design, Fabrication & Application Cosponsored by CEI and ENFL L. Arava, Organizer X. Ling, E. Ryan, Organizers, Presiding 9:00 ENVR 461. Electrospun silica nanofiber mats functionalized with ceria nanoparticles for water decontamination. I. Zucker, N. Dizge, C. Fausey, E. Shaulsky, M. Sun, M. Elimelech 9:20 ENVR 462. Mining from waste: Chemomechanicallymodulated automated and selective separation of metal ions. M. Hua, Y. Du, M. Sun, X. He 9:40 ENVR 463. Sequestering PFOA at environmentally relevant concentrations by a β-cyclodextrin polymer network. L. Xiao, Y. Ling, A. Alsbaiee, C. Li, D.E. Helbling, W.R. Dichtel 10:00 ENVR 464. Novel magnetic MnOx loaded rice husk biochar for Pb(II) and Cd(II) adsorption in aqueous solution. C. Sun, Q. Huang, T. Chen, J. Yan 10:20 Intermission. 10:35 ENVR 465. Potential for treatment of a chromium waste stream with zerovalent iron. A.A. Maria, J. Williams, H.P. Palmer Emerson, Y. Katsenovich, D. Boglaienko 10:55 ENVR 466. Core-shell porphyrin-based magnetic nanocomposites for efficient adsorption and removal of lead(II) in aqueous solution. J. Yu, S. Zhu 11:15 ENVR 467. Selective separation and preconcentration of Th(IV) using functionalized, hierarchically-ordered porous silica monoliths. Y. Hu, F.G. Fontaine, F. Kleitz, D. Larivière 11:35 ENVR 468. Investigating the relationship between adsorbed nzvi and reactivity: A study in nitrate reduction. J. Fulton, H. Fraser

SECTION H Boston Convention & Exhibition Center Room 258B

Chemical Reactions at Solid-Water Interfaces of the Natural & Built Environment Catalysis/Photocatalysis Cosponsored by GEOC R. Doong, C. Huang, H. Kim, B. Pan, V. K. Sharma, Organizers C. Hou, B. Pan, S. Yen, Presiding 8:15 Introductory Remarks. 8:20 ENVR 469. Outdoor photolysis and dissolution of insensitive munition formulation IMX-101 and IMX-104: Transformation pathway and mechanism study. C. Qin, L.A. Hyatt, K. Dontsova, L. Abrell, D. Troya, E. Hunt, S. Taylor 8:45 ENVR 470. Photodegradation of tris (1,3-dichloropropyl) phosphate with TiO2 nanoparticles under UV irradiation and the effect of electrolytes. M. Chang, Y. Shih 9:10 ENVR 471. Photocatalytic degradation of sulfamethoxazole by TiO2 in the presence of halide salts. Y. Lin, Y. Shih 9:35 ENVR 472. Kinetic investigation of laccase catalysed transformation of phenolic contaminants: The influence of humic acid-metal binding process. J. Lu 10:00 Intermission. 10:20 ENVR 473. Influence of vacancy sites and Mn(III) atoms on MnOx photoreduction. S. Benkaddour, J. Pena

Sponsored by AGRO, Cosponsored by ANYL and ENVR

WEDNESDAY AFTERNOON SECTION A Boston Convention & Exhibition Center Room 160C

Advanced Oxidation for Water Treatment: Applications & Implications Materials for AOPs: Transition Metals & Minerals K. Doudrick, G. Li Puma, D. Minakata, K. E. O’Shea, W. Song, Organizers E. Asenath Smith, D. D. Dionysiou, Organizers, Presiding 1:30 Introductory Remarks. 1:35 ENVR 476. Physical and oxidative antimicrobial properties of chitosan-graphene oxide composites for water treatment. B. Petery, C. Thomas, E. Alberts, V.F. Medina, C.S. Griggs 2:00 ENVR 477. Earth-abundant nanomaterials for photocatalytic hydrogen evolution and bacterial inactivation under visible light irradiation. W. Wang, G. Li, T. An 2:25 ENVR 478. Heterogeneous Fenton oxidation of Orange II using iron nanoparticles supported on functionalized fique fiber. C.A. Sierra, K. Bastidas, H. Zea 2:50 ENVR 479. Algae decorated TiO2/Ag hybrid nanofiber membrane with enhanced photocatalytic activity for pollutants removal. L. Wang, C. Zhang, G. Pan 3:15 Intermission. 3:30 ENVR 480. Nitrogen- and boron- codoped TiO2 vatalyst with improved photocatalytic activity for wastewater treatment/reuse applications. W. Abdelraheem, M. Nadagouda, D.D. Dionysiou 3:55 ENVR 481. Removal of 1,4-dioxane from landfill leachate by a rotating advanced oxidation contactor equipped with activated carbon/TiO2 composite sheets. Y. Nomura, S. f*ckahori, T. Fujiwara 4:20 ENVR 482. Selective photo-degradation of small molecule contaminants with surface-modified TiO2 nanoparticles. E. Ambrogi, E. Asenath-Smith, J. Roman, E. Kim, D.M. Cropek 4:45 ENVR 483. Development of immobilized TiO2-SiO2 photocatalyst films to enhance UV-assisted degradation of taste and odor compounds in water. S.B. Yaparatne, C.P. Tripp, A. Amirbahman 5:10 ENVR 484. Robust magnetic photocatalyst for removal of organic pollutants from drinking water. S. Sultana, A. Amirbahman, C.P. Tripp

SECTION B Boston Convention & Exhibition Center Room 161

From Lab to Tap: Implications of Scaling Up NanoEnabled Environmental Technologies Cosponsored by ANYL K. D. Hristovski, M. S. Wong, Organizers A. C. Barrios, M. Lanzarini-Lopes, S. Pedersen, Organizers, Presiding 1:30 ENVR 485. Leveraging chemical actinometry and optical radiometry to reduce uncertainty in photochemical research. E. Asenath Smith, E. Ambrogi, L. Moores, S. Newman, J. Brame

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8:30 Introductory Remarks. 8:35 ENVR 434. Preparation of acidified g-C3N4 via thermal polymerization of hydrochloric acid-treated urea for photodegradation of microcystin-LR under visible light. L. Shi, L. Shen, S. Xiang, X. Zheng, R. Cheng 8:55 ENVR 435. Single-atom photocatalysts for oxyanion reduction in water treatment. B.C. Hodges, D. Huang, C. Chu, E. Stavitski, J. Kim 9:15 ENVR 436. Structured bimetallic catalysts for oxyanion reduction. Y. Wang, X. Min 9:35 ENVR 437. Oxidation reaction mechanism and kinetics of elemental mercury vapor over CuCl2. J. Lee, V. Sriram, Z. Liu 9:55 Intermission. 10:15 ENVR 438. Synthesis of Zn-ferrite recyclable magnetic nanomaterials for the degradation of pharmaceutical diclofenac in water. A. Al Anazi 10:35 ENVR 439. Broadband solar harvesting via plasmonic photocatalysts for environmental applications. Q. Zhang, M. Chaker, D. Ma 10:55 ENVR 440. Electrochemical anthraquinone process mediated by phase transfer catalysis. S. Voskian, A.T. Murray, Y. Surendranath, T. Hatton 11:15 ENVR 441. F-TiO2/g-C3N4 photoactalysts: Effect of F-doping and hybridized with graphite-like C3N4 on the catalytic performance under visible light. P. Chen, J. Yu, X. Jiang, S. Zhu 11:35 ENVR 442. Ultralight, monolithic graphene and ceria aerogels for VOCs removal and disinfection. W. Chen, K. Yeung 11:55 Concluding Remarks.

TECHNICAL PROGRAM

ENVR 1:55 ENVR 486. Nano enabling optical fibers increases light scattering in photo-assisted water treatment. M. Lanzarini-Lopes, S. Garcia-Segura, K.D. Hristovski, P.K. Westerhoff 2:20 ENVR 487. Improving capabilities of atmospheric water capture systems: Photothermal nanomaterials enhance kinetics of water vapor desorption from desiccants. A. Mulchandani, P.K. Westerhoff 2:45 ENVR 488. Nanoenabling activated carbon based point-of-use water filtration devices for added functionality. A.J. Atkinson, H. Lee, J. Markovski, F.C. Brown, D. Nys, H. Ashani, S. Sinha, P.K. Westerhoff 3:10 Intermission. 3:20 ENVR 489. Nanoparticle spray coating with aerosol impact-driven assembly is a versatile and scalable technique for increasing water treatment membrane functionality. O. Alrehaili, A.J. Atkinson, Y. Bi, P. Firth, Z. Holman, P.K. Westerhoff 3:45 ENVR 490. Rapid processing of bottlebrush coatings through UV-induced crosslinking. H. Mei, A. Mah, G. Stein, R. Verduzco 4:10 ENVR 491. Nano-augmented microwave irradiation of soils containing heavy and long-chain petroleumhydrocarbons. E. Pruitt, O. Apul, R. Kamath, K. Kong, P. Dahlen, P.K. Westerhoff 4:35 ENVR 492. Nano-enabled superomniphobic membranes for membrane distillation: Recent advances and current challenges. S. Pedersen, Q. Li 5:00 ENVR 493. Magnetic nanoparticle recovery device (MagNRD) enables large scale application of iron oxide nanoparticles for water treatment. A.J. Atkinson, C. Powell, Y. Ma, M.S. Wong, P.K. Westerhoff 5:25 Concluding Remarks.

SECTION C Boston Convention & Exhibition Center Room 162A

Physicochemical & Biological Phenomena on Sorbent Surfaces in Environmental Applications Cosponsored by BIOL S. Bae, J. Choe, Y. Choi, D. Werner, Organizers, Presiding 1:30 Introductory Remarks. 1:35 ENVR 494. Adsorption of cationic dye on novel magnetized polypeptidylated protein. M. Essandoh, R.A. Garcia 1:55 ENVR 495. Preparation of novel shewanella-graphene core-shell composite material for nitrobenzene degradation. P. Tingting, B. Chen 2:15 ENVR 496. Influences of isolated fractions of natural organic matter on adsorption behaviors of Cu(II) onto titanate nanotubes. T. Wang, T. Zheng, Y. Xi 2:35 ENVR 497. Adsorptive removal of aqueous tetracycline by Zr-based metal-organic frameworks. J. Xia, G. Yu 2:55 ENVR 498. Enhancement of heavy metal sorption to Chlorella vulgaris by modification of growth medium and chemical pretreatment. G. Joo, K. Kim, Y. Choi 3:15 Intermission. 3:30 ENVR 499. Engineered biochar for contaminant adsorption and reduction. D. Tsang, D. Cho 4:10 ENVR 500. Removal and enrichment of ammonium ion from aqueous solution using activated carbon modified with anionic surfactant. W. Lee, S. Yoon, J. Choe, Y. Choi 4:30 ENVR 501. Mechanisms of Ra2+ removal on celestite impregnated silica. H. Hamid, A. Gusa, J. Flora, R.D. Vidic 4:50 ENVR 502. “Iron Man” become “Dustman” – artificial and natural silicified nanoshells for heavy metal adsorption. J. Ma, K. Pan 5:10 Concluding Remarks.

SECTION D Boston Convention & Exhibition Center Room 162B

Environmental Obesogens: Exposure Pathways, Mechanism of Action & Trends Cosponsored by AGRO J. Legler, G. Malarvannan, Organizers B. G. Loganathan, K. Sajwan, Organizers, Presiding M. Govindan, J. Legler, Presiding 1:30 Introductory Remarks. 1:40 ENVR 503. Environmental obesogens: Background, challenges and research needs. J. Legler 2:20 ENVR 504. Persistent organohalogenated contaminants in obese adolescents: Levels before and after weight loss. M. Govindan, V. Kim, D. Ann, V. Stijn, J. Philippe, E. Dirinck, V. Luc, A. Covaci

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2:40 ENVR 505. Bisphenol-A in the environment: Contamination levels in water, indoor dust and implications for human exposure. B. Cassidy, S. Loganathan, K. Kannan, B.G. Loganathan 3:00 ENVR 506. Arsenic impairs endocrine and lipolytic adipose tissue metabolism and it is modulated by high-fat saturated diet. A. Diaz-Villaseñor, D. Calderon-Du pont, Z.A. Ceja-Galicia, A. Lopez-Daniel, J.K. Tello-Casillas, L.M. Chiu, A.V. Contreras, S. Moran-Ramos 3:20 Intermission. 3:35 ENVR 507. Prenatal obesogen exposure leads to a transgenerational thrifty phenotype in mice. B. Blumberg 4:15 ENVR 508. Global trends of POPs and obesity: An introspective inquiry. B.G. Loganathan 4:35 ENVR 509. Environmental obesogens: Contamination levels in environmental and biological samples from Savannah, Georgia, USA. K. Sajwan, R. Choi, J. Richardson 4:55 ENVR 510. Obesogens: Looking back to look forward. J. Heindel 5:15 Concluding Remarks.

SECTION E Boston Convention & Exhibition Center Room 260

Wastewater-Based Epidemiology: Opportunities & Challenges Cosponsored by ANYL D. A. Burgard, B. G. Loganathan, B. Subedi, Organizers, Presiding 1:30 Introductory Remarks. 1:40 ENVR 511. Opportunities and challenges assoicated with sewage epidemiology. B. Subedi 2:10 ENVR 512. Sewage analysis CORe groupe Europe (SCORE) – Overview of a pan-European network coordinating illicit drug measurements in wastewater. F. Been, F.Y. Lai, A. Covaci, A.L. van Nuijs 2:35 ENVR 513. Waterwater-based epidemiology: Trends, differences and challenges based on studies in three countries. V. Yargeau 3:00 ENVR 514. Wastewater-based epidemiology of tobacco, prescription opioids and drugs of abuse in New York City. N. Centazzo, B. Frederick, A. Jacox, S. Cheng, M. Concheiro-Guisan 3:25 Intermission. 3:45 ENVR 515. Wastewater as a tool to understand legalized retail sales effects on cannabis consumption in WA. D.A. Burgard, J. Williams, D. Westerman, R. Carpenter, A. LaRock, R. Rushing, J.F. Sadetsky, J. Clarke, H. Fryhle, M.C. Pellman, C. Banta-Green 4:10 ENVR 516. Wastewater-based epidemiological tracking of narcotic use at a southwestern U.S. university. A. Gushgari, E.M. Driver, J.C. Steele, R. Halden 4:35 ENVR 517. Drug co*cktails: What’s in your wastewater mix? S. Pagsuyoin, J. Luo, D. Bello 5:00 ENVR 518. Are illicit drugs consumed more during celebrations? K. Foppe, A.J. Skees, D.R. HammondWeinberger, B. Subedi

SECTION F Boston Convention & Exhibition Center Room 259B

Electrical/Electrochemical Technologies for Environmental Applications Cosponsored by ENFL B. P. Chaplin, X. Xie, Organizers D. Wang, Y. Yang, Organizers, Presiding 1:30 Introductory Remarks. 1:35 ENVR 519. Electrochemistry at the membrane/water interface. D. Jassby 2:15 ENVR 520. Nitrogen and phosphorus recovery and separation from agricultural wastewater effluents: The role of electrically conductive membranes. A. Ronen, K.M. Kekre 2:40 ENVR 521. Biofouling effects on boron-doped diamond anodes in water treatment. S. Segura, D. Rice, F. Perreault 3:05 ENVR 522. Degradation of perfluorooctanesulfonate by Ti4O7 reactive electrochemical membrane. H. Shi, R.D. Pierce, J. Lu, Q. Huang 3:30 Intermission. 3:45 ENVR 523. Capacitive membrane stripping for ammonia recovery (CapAmm) from dilute wastewaters. C. Zhang, J. Ma, D. Waite 4:10 ENVR 524. Inactivation of E. coli by direct-in-liquid electrical discharge plasma: Effects of reactor electrode design and high voltage electrode material. X. Su, S.M. Thagard, S. Rogers, T. Holsen

4:35 ENVR 525. Air cathode iron-electrocoagulation for removing wastewater-derived contaminants of concern. S. Bandaru, J.M. Barazesh, C. Prasse, A.J. Gadgil 5:00 ENVR 526. Mechanism investigation of the enhanced photocatalytic oxidation of nonyl phenol on hydrophobic TiO2 nanotubes. H. Shi, X. Huang, G. Zhao 5:25 Concluding Remarks.

SECTION G Boston Convention & Exhibition Center Room 259A

Advanced Materials for Energy & the Environment: Design, Fabrication & Application Cosponsored by CEI and ENFL L. Arava, E. Ryan, Organizers X. Ling, Organizer, Presiding H. V. Kumar, Presiding 1:30 ENVR 527. Interfacial liquid ordering dictates the behavior of energy and momentum transport at solid-liquid interfaces. B. Ramos-Alvarado 1:55 ENVR 528. Functionalized carbon nanotubes for chemical sensor applications. M. He, T.M. Swager 2:20 ENVR 529. Synthesis and STM single molecule conductivity measurements of heterobimetallic lantern complexes. S.A. Beach, L.A. Zuckerman, I.J. Planje, R.J. Nichols, A.L. Rheingold, L.H. Doerrer 2:40 ENVR 530. Multicolor photochromic color switching of redox dyes by semiconductor nanocrystals for use as rewritable media. A. Smith, A. Gorski, M. Zhang, P. Gitman, Z. Hao, H. Jin, C. Park, S. Zeng, L. Sun 3:00 ENVR 531. Emulsion systems to environment friendly applications. H.V. Kumar, E. Brown, D.H. Adamson 3:20 Intermission. 3:35 ENVR 532. Molecularly engineered multifunctional carbon nanotube fibers using highly controlled electrical fusion process. J. Hao, H. Jung, S. Liu, C. Livermore, Y. Jung 4:00 ENVR 533. Scalable preparation of nanoscale, bimetallic materials with precisely controlled surface composition and tunable surface morphology. P.J. Cappillino, S. Gurung, D.B. Robinson 4:20 ENVR 534. Bottom-up synthesis of transition metal dichalcogenides and nanostructures. X. Ling, T. Li, Y. Guo, Y. Lin, J. Kong 4:40 ENVR 535. Controlled TiO2 growth on thin film composite membranes by atomic layer deposition: Mechanisms and potential applications. X. Zhou, Y. Zhao, S. Kim, M. Elimelech, S. Hu, J. Kim 5:00 ENVR 536. Fluorescent techniques for nanoscale temperature determination in solar photothermal materials. S. Loeb, H. Wei, J. Kim

SECTION H Boston Convention & Exhibition Center Room 258B

Chemical Reactions at Solid-Water Interfaces of the Natural & Built Environment General Cosponsored by GEOC R. Doong, C. Huang, H. Kim, B. Pan, V. K. Sharma, Organizers W. Hou, H. L. Lien, D. Ruey-An, Presiding 1:30 Introductory Remarks. 1:35 ENVR 537. Spherical aberration corrected analytical transmission electron microscopy (Cs-AEM) for mapping pollutant reactions at the solid-water interface. L. Ling, W. Zhang 2:05 ENVR 538. Reaction of carbon black by catalyst zinc oxide doped copper under low temperature. C. Sun, M. Hsieh, T. Li, C. Hsieh 2:30 ENVR 539. Formation and aggregation of lead phosphate nanoparticles: Implication for lead immobilization in water distribution systems. J. Zhao, D. Giammar, J.D. Pasteris, C. Dai, Y. Hu 2:55 ENVR 540. Reduced zinc leaching from scrap tire during pavement application. J. Wang, X. Liu, A. Gheni, M. ElGawady 3:20 Intermission. 3:40 ENVR 541. Chemical degradation of polyacrylamide during hydraulic fracturing. B. Xiong, M. Kumar, A.L. Zydney 4:05 ENVR 542. Probe the reactivity of pyrogenic carbonaceous matter in mediating environmental redox reactions using a polymer synthesis approach. Z. Li, W. Xu 4:30 ENVR 543. Influence of copper phosphate and copper oxide nanoparticles on growth and disease resistance of watermelon. J. Borgatta, C. Ma, N. Hudson Smith, C.L. Haynes, J.C. White, R.J. Hamers

Functional Materials from Biopolymer Self-Assembly & Self-Organization Sponsored by CELL, Cosponsored by CARB, COLL, ENVR and POLY

Microbial Chemical Processes & Advanced Nanotechnology for Contaminated Site Remediation Sponsored by GEOC, Cosponsored by ENVR

Surfactant & Colloid Science as Applied to Agrochemical Formulations Sponsored by AGRO, Cosponsored by AGFD, ENVR‡ and ORGN

New Analytical Technologies for Pesticide Analysis Sponsored by AGRO, Cosponsored by AGFD, ANYL and ENVR

Pesticides & Chemophobia in the News: What You Need to Know as a Scientist & Consumer Sponsored by AGRO, Cosponsored by AGFD, CHAL, CHAS and ENVR

Atmospheric Fate & Transport of Volatilized Agricultural Emissions Sponsored by AGRO, Cosponsored by ANYL and ENVR

Environmental Study Design: Current & Emerging Guidelines Sponsored by AGRO, Cosponsored by ENVR

Non-Extractable Residue (NER) Bio-Accessibility & Potential Risks Sponsored by AGRO, Cosponsored by ANYL and ENVR

Pesticide Spray Drift: Application, Evaluation & Mitigation Sponsored by AGRO, Cosponsored by ANYL and ENVR

Role of Monitoring Data in Advancing Regulatory Risk Assessment Sponsored by AGRO, Cosponsored by ENVR

Surfactant & Colloid Science as Applied to Agrochemical Formulations Sponsored by AGRO, Cosponsored by AGFD, ENVR‡ and ORGN

Synthesis & Chemistry of Agrochemicals: ACS Industrial Chemistry Award Symposium in honor of George P. Lahm Sponsored by AGRO, Cosponsored by AGFD, ENVR, I&EC‡ and ORGN

Uses of Mass Spectrometry in Agricultural Research & Development: New Trends & Best Practices Sponsored by AGRO, Cosponsored by AGFD, ANYL and ENVR

WEDNESDAY EVENING SECTION A Boston Convention & Exhibition Center Exhibit Hall B2/C

Advanced Materials for Energy & the Environment: Design, Fabrication & Application L. Arava, X. Ling, E. Ryan, Organizers 6:00 – 8:00 ENVR 545. Hydrothermal carbon superstructures enriched with carboxyl groups for highly efficient uranium removal. B. Han ENVR 546. Rational controlling shape and phase formation:synthesis of phase separated Bi2WO6-Fe2WO6 heterojuctions and BiFeWOx nanooctahedra and visible light photocatalytic performances. Y. Wang, S. Zhang, Q. Zhong ENVR 547. Highly efficient all organic supramolecular nanotemplates for visible light driven hydrogen evolution from water. H. Lee, J. Kim, S.Y. Park ENVR 548. Heavy metal ions adsorption by nitrogen-doped mesoporous carbons synthesized using a copolymertemplating method. G. Ye, Y. Song ENVR 549. Fluorofluorescent solar concentrator: A solutionbased approach towards building-integrated photovoltaics. K. Yoshinaga, O.B. Achorn, G.D. Gutierrez, T.M. Swager

ENVR 550. In situ combined dual-layer PyCC/PES membrane for electrically-enhanced fouling resistance in high concentration microalgae harvesting process. Z. Yu, X. Zhou, Y. Zhang, H. Chu ENVR 551. Multifunctional bimetallic nanomaterials prepared by atomic layer electroless deposition. S. Gurung, P.J. Cappillino, D.B. Robinson ENVR 552. Improving the photocatalytic functionality and the stability of CdS/MOF hybrid composites: Immobilization of CdS nanoparticles by MOF structures. T.W. Kim, M. Sohail, H. Kim ENVR 553. Novel three-dimensional printing system for flexible silica aerogel synthesis. J. Lopez Navas, J. Luo, K. Yeung ENVR 554. Dioctyl sulfosuccinate modified superhydrophobic/superoleophilic chitosan sponge for the selective removal of oily pollutants from water. C. Ma, C. Shen, Y. Liu, F. Li ENVR 555. Synthesis, characterization and application of a new silica composite nano-adsorbent with NiFe magnetic nanoparticles embedded structure. Y. Liu, J. Li, C. Zhong ENVR 556. Composition-activity relationship of PtCuCo nanocatalysts for application in direct ethanol fuel cells. Z. Wu, T. Wong, K. Park, H. Cronk, J. Luo, C. Zhong ENVR 557. Study on the delivery of reactive nanoparticles by surfactant-stabilized foam for sites remediation. Q. Li, A. Patel, V. Prigiobbe ENVR 558. Multi-scale computational frameworks for hierachical porous material design. Q. Ha, A. Roshandelpoor, P. Vakili, J.L. Goldfarb, E. Ryan ENVR 559. Characterization of fixed bed adsorption using computational modeling. K. Dupre, A. Vyas, J.L. Goldfarb, E. Ryan ENVR 560. Manufacture of PVDF film membrane using soft lithography: Effect of spin coating. A. Rojjanapinun, S. Pagsuyoin, H. Sun, E. Ada ENVR 561. Fabrication of MOFs/PVDF composite spheres for pharmaceutical waste treatment. C. Ratanatawanate, C. Imhan, W. Sajomsang ENVR 562. Facile synthesis of flexible and superhydrophobic silica aerogels by TEMS, DMDMS and PDMS. J. Luo, Z. Liu, K. Yeung

SECTION A Boston Convention & Exhibition Center Exhibit Hall B2/C

Advanced Oxidation for Water Treatment: Applications & Implications E. Asenath Smith, D. D. Dionysiou, K. Doudrick, G. Li Puma, D. Minakata, K. E. O’Shea, W. Song, Organizers 6:00 – 8:00 ENVR 563. Heterogeneous degradation of atrazine with ozone catalyzed by ordered mesoporous Fe3O4. S. Zhu, B. Dong ENVR 564. Application of calcium peroxide for efficient removal of triamcinolone acetonide from aqueous solutions. A. Zhang, Y. Liu ENVR 565. Treatment of effluents containing organic pollutants using Ce or Nd doped TiO2 photocatalysts. R.F. Moreira, G.B. Vieira ENVR 566. Low pressure UV/H2O2 treatment for the degradation of pharmaceutical compounds acetaminophen, atenolol, bezafibrate, diclofenac and ibuprofen. M.P. Parizi, C.P. Katsumata, A.S. Teixeira, A.L. Acosta ENVR 567. Visible light-induced activation of peroxymonosulfate on TiO2. C. Kim, Y. Jo, J. Lee, W. Choi ENVR 568. Photodegradation of estrogenic steroids in the presence of humic acid and carbonate ions in aqueous solutions. F. Albalawi, Y. Zuo ENVR 569. Epitaxial branched WO3/TiO2 nanostructures for highly-stable and efficient photoelectrocatalytic wastewater treatment. Q. Zeng, C. Hu ENVR 570. Accelerated photocatalytic degradation of organic pollutant over metal-organic framework MIL-53(Fe) under visible LED light mediated by persulfate. Y. Gao ENVR 571. Efficient degradation of organic pollutants by heterogeneous dual-reaction-center Fenton-like process. L. Lyu, C. Hu ENVR 572. Treatment of the emerging pollutant 17α-ethinylestradiol using sodium persulfate activated by an innovative method. C. Rackov, S.O. Silva, D. Silva, L. Aguiar, M.G. Vianna, O. Chiavone-Filho, C.A. Oller do Nascimento ENVR 573. Mechanistic study of photochemical and advanced oxidation processes for degradation of pharmaceuticals in water. M.J. Chisholm, B.W. Cole, R. Fort

ENVR 574. Removal of atrazine and its by-products from agricultural surface water using advanced oxidation processes. S. Komtchou Kamdem, A. Dirany, P. Drogui, D. Robert ENVR 575. Heterogeneous activation of peroxymonosulfate using mesoporous Fe/NC for the degradation of organic pollutants. T. Zeng, H. Zhang, S. Song ENVR 576. Synthesis of a photoactive cellulose-based nanocomposite for enhanced water filtration applications. K.P. Lanasky, S.J. Baker, R.K. McDonough, J.J. Keleher ENVR 577. Dual frequency ultrasonic reactor configuration for OH radical production. Z. Eren, K.E. O’Shea ENVR 578. Synergistic effect of common oxidants on solar light driven activity of B-N-codoped TiO2 for the degradation and mineralization of aspartame. J. Duarte, W. Abdelraheem, C.L. Zanta, D.D. Dionysiou ENVR 579. Degradation of glyphosate by ferrate, chlorine and monochloramine: Effects of hardness, bromide, and natural organic matter. J. Liu, V.K. Sharma ENVR 580. Impact of dual-wavelength synergy on iopamidol degradation by UV-LED irradiation and UV-LED/chlorine treatment. Z. Gao, Y. Lin, B. Xu ENVR 581. An efficient catalytic degradation of methylene blue in a percarbonate system catalyzed by graphene supported iron. M. Ali, A. Ahmad, N. Feroz ENVR 582. Photocatalytic degradation kinetics and mechanism of perfluorooctanoic acid over Pb-BiFeO3/rGO catalyst. Y. Li, E. Shang, X. Wang, G. Zhang ENVR 583. Oxidation of microcystins by permanganate: pH and temperature-dependent kinetics, effect of DOM characteristics, and oxidation mechanism revisited. M. Kim, H. Lee, K. Lee, J. Seo, C. Lee ENVR 584. Photo-assisted electrochemical oxidation of imidacloprid in the presence of chloride ions. I. Chu, Y. Shih, Y. Huang ENVR 585. Critical role of oxygen for the rapid degradation of organic contaminants in permanganate/bisulfite process. B. Sun, X. Guan ENVR 586. Microbial and enzymatic degradation of emerging environmental contaminants in water. T. Chang, Y. Peng, C. Hsu, S. Wu, T. Chou, Y. Shih ENVR 587. Photochemical transformation of methamphetamine in dissolved organic matter solution under simulated sunlight. J. Lv, P. Hu, C. Guo, Y. Zhang, J. Xu ENVR 588. Piezoelectric effect of BaTiO3@graphene and application in breaking complex of Cu-EDTA and recycle of Cu2+. G. Gao ENVR 589. Effectively enhanced degradation of chloroaromatic compounds in water by electro/carbon nanotubes/peroxydisulfate process. W. Ren, H. Zhang ENVR 590. Microcystis aeruginosa-laden water treatment using enhanced coagulation by calcium peroxide/Fe(II): Simultaneously enhanced algae removal, controlled AOM release and improved water quality. H. Xin, Y. Tang ENVR 591. Facile synthesis of novel photocatalyst derived from titanium dioxide and egg-based biomass with superior photocatalytic oxidation of methylene blue dye in aqueous solutions. A.A. Alhwaige, K.M. Emithg, A.B. Almahjob ENVR 592. Synthesis and evaluation of the carboxymethyl cellulose mediated CaO2 nanoparticles for stabilized oxygen release in bioremediation of diesel. C. Yeh, T. Chou, Y. Shih ENVR 593. Performance of an integrated electro-oxidation and electrocoagulation process in removing ammonia from high-strength organic wastewater. M.R. Choudhury, N. Anwar, R. Rajagopal, S. Rahaman

SECTION A Boston Convention & Exhibition Center Exhibit Hall B2/C

Advances in Carbon Nanomaterial Design & Applications for Environmental Sustainability L. M. Gilbertson, F. Perreault, Organizers 6:00 – 8:00 ENVR 594. Antibacterial effect of multi walled-carbon nanotubes-based nanohybrids. S. Baek, S. Joo, C. Su

SECTION A Boston Convention & Exhibition Center Exhibit Hall B2/C

Advances in Sensors & Biosensors for Environmental Monitoring J. Berberich, T. Li, E. Sahle-Demessie, Organizers 6:00 – 8:00 ENVR 595. Detection of organochlorine pesticides in contaminated marine environments via cyclodextrinpromoted fluorescence modulation. D.J. DiScenza, M. Levine

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4:55 ENVR 544. Synchrotron evidence for elucidating mechanisms of CO2 mineralization and utilization at mineralwater interfaces. S. Pan, B. Lai, Y. Ren, K. Shah, T. Chen, P. Chiang

TECHNICAL PROGRAM

ENVR ENVR 596. Functionalized pillar arenes for removal of small molecule toxicants and the development of a novel array based detection system. P.I. Fernando, T. Mako, B.L. DeBoef, M. Levine, A. Levenson, P. Cesana, K. DaRosa, A. Mendieta ENVR 597. Highly sensitive and selective sensing of estrogens in real sample using surface enhanced Raman spectroscopy. S. Liu, G. Zhao ENVR 598. Printed carbon nanotube sensor technology for detection, collection and reporting of water contaminants. L. Mimun, D.L. Henderson, C. Thomas, C.T. Hubley, J.S. Furey, A. Netchev, A.J. Bednar, J.A. Brame ENVR 599. Eugenol derived azo dyes synthesis, characterization, and investigation of their photophysical properties as chemical sensors. A. Karim, Y.M. Hijji, H.D. Tabba, M. Mustafa ENVR 600. Gold nanoparticle chemiresistor sensor arrays: Towards a sensor system for in-field quantitative BTEX detection in groundwater. L.J. Hubble, J.S. Cooper, E. Chow, A. Sosa-Pintos ENVR 601. Nanoscale chemical sensors for fast and reversible detection of organic vapors. T. Gao, Y. Wang, Y. Luo, Z. Pittman, A. Oliveira, H. Craig, J. Zhao, B. Willis ENVR 602. Portable and rapid immunoassay sensors for antibiotic residues: With nanofibrous membranes. C. Zhao, Y. Si, A. Taha, T. Pan, G. Sun

SECTION A Boston Convention & Exhibition Center Exhibit Hall B2/C

Catalysis for Environmental & Energy Applications Cosponsored by CATL A. Orlov, A. Savara, Organizers 6:00 – 8:00 ENVR 603. Enhanced removal of bromate by NZVI supported bimetallic catalyst in a continuous flow system. D. Abudanash, S. Hamid, S. Han, J. Kim, W. Lee ENVR 604. Preparing and testing photocatalytic activities of TiO2-PVDF composite porous thin-film photocatalysts. C. Yuan, C. Hung ENVR 605. Promotional effects of P doping on CeO2/TiO2 catalysts for the selective catalytic reduction of NO by NH3. Y. Zeng, S. Zhang, Q. Zhong ENVR 606. Nanocomposite materials with 3D porous structure and activated graphene supported pd-nanoalloy bifunctional catalysts for application in lithium-air battery. N. Bao, J. Tian, Z. Wu, S. Shan, J. Luo, C. Zhong ENVR 607. Nano-engineering Pt- and Pd-based catalysts for applications in emission control systems. S. Wang, S. Shan, H. Kareem, D. Caracciolo, J. Luo, C. Zhong

SECTION A Boston Convention & Exhibition Center Exhibit Hall B2/C

Chemical Reactions at Solid-Water Interfaces of the Natural & Built Environment R. Doong, C. Huang, H. Kim, B. Pan, V. K. Sharma, Organizers 6:00 – 8:00 ENVR 608. Developing and optimizing one laccasemediator system to remove heavy hydrocarbon model compounds from contaminated soil. Y. Yang, J. Mathieu, Y. Xu, L. Armanado, M. Rostro, R. Kamath, R. Parra, P.J. Alvarez ENVR 609. Improvement of heavy metal adsorption ability of thermo-crosslinked PVA/PAA nanofibers containing welldispersed thiol-modified silica nanoparticles. J. Kim, T. Kang, S. Oh ENVR 610. Preparation of a hierarchical porous hydroxyapatite-carbon composite with the bio-template of stem internodes of sugarcane tops and its removal of cadmium from aqueous solution. H. Deng, Z. Zhu, Y. Zhu, H. Ding, Y. Li, J. Lin, L. ZHANG ENVR 611. Preparation of hydroxylapatite/bagasse biochar composite adsorbent and its adsorption mechanism on As(V) from aqueous solution. M. Liang, D. Wang, Y. Zhu, Y. Xiao, Z. Zhu, S. Tang ENVR 612. Atrazine sorption by biochar: A thermodynamics and kinetics approach. J.M. Gonzalez, P. Chad ENVR 613. Effects of pH in operating solution on the electrochemical performance of LiFePO4 cathode material coated with carbon. Y. Tsai, H. Chang, C. Hsieh ENVR 614. Characteristics and photocatalytic disinfection performance of chitosan-C-doped TiO2 composite. L. Yen, J. Tzeng, K. Tu, Y. Lin ENVR 615. Synergetic effect of zero-valent iron and pyrite for reductive removal of nitrobenzene in water. Y. Li, J. Li, H. Dong

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ENVR 616. Reactivity of graphene oxide and reduced graphene oxide toward Tetrabromobisphenol A, Bisphenol A, and phenol from water: Reaction mechanism and thermodynamic effects. H.n. Catherine, Y. Lin, Y. Shih, R. Doong ENVR 617. Silver-loaded mesoporous silica with strong antibacterial properties. C. Chen, H. Wu, H. Huang, C. Liu, Y. Chen ENVR 618. Structural and component evolution of nanoscale zero-valent iron (nZVI) in Water. A. Liu ENVR 619. Oxygen atom release during selenium oxyanion sorption on goethite and hematite. P. Yue, N. Chen, D. Peak, A. Onnis-Hayden, P. Larese-Casanova

SECTION A Boston Convention & Exhibition Center Exhibit Hall B2/C

Chemistry of Struvite & Slow Release Fertilizers: From Fundamentals of Crystal Growth to Engineered Nutrient Recovery & Their Release Cosponsored by AGRO J. Baltrusaitis, Organizer 6:00 – 8:00 ENVR 620. Ammonia gas sorption by struvite recovered from swine and dairy effluent using STA-PTA-FTIR. M. Ramlogan, A. Rabinovich, A. Rouff

SECTION A Boston Convention & Exhibition Center Exhibit Hall B2/C

Division of Environmental Chemistry General Poster Session J. L. Goldfarb, Organizer 6:00 – 8:00 ENVR 621. Crown ether-enhanced electrodialysis for selective removal of problematic ions in feed water and waste fluid of unconventional energy production. D. Bedi, M. Findlater, W. Yan, Y. Li, J. Vue, L. Somasundaram ENVR 622. Poly(vinyl pyrrolidone) modified poly(vinylidene fluoride) ultrafiltration membrane via a two-step surface grafting for radioactive wastewater treatment. S. Yu, X. Zhao, X. Zhang, F. Li ENVR 623. Carrier element free coprecipitation method for determination of Ni2+ and Zn2+ by WDXRF. M. Furukawa, I. Tateishi, Y. Iba, H. Katsumata, S. Kaneco ENVR 624. Water quality measurements and training in general chemistry and quantitative analysis: An undergraduate experience in water monitoring. D.J. Lecaptain, J.H. Tomasik, S.A. Majorski ENVR 625. Co-evolution of physical and social sciences in synthetic biology. I. Linkov, B. Trump, J. Cegan ENVR 626. Protoplasting and transformation platform of the medincinal mushroom Ganoderma multipileum: Establishment and proof of concept by mating type gene transformation. T. Chou, S. Tzean, Y. Shih ENVR 627. Evaluation of anthropogenic impacts on reservoir water quality by monitoring the occurrence of emerging contaminants. C. Chung, W. Chen ENVR 628. Simultaneous absorbance and fluorescence measurements for monitoring organic pollutants in source water. L. Chen, A. Gilmore, R. Kojima, C. Kow, N.A. Afira, E. Mok, S. Teng ENVR 629. Presence of endocrine disrupting chemicals in tidal embayments of the Potomac River. M.A. Cagle ENVR 630. Some factors controlling the formation of hexachlorobenzene in the process of electric arc furnace steelmaking. N. Tsubouchi, Y. Ohtsuka ENVR 631. Coagulation mechanism studies of humic acid with metal ions and radionuclides by molecular dynamic simulations. Y. Ai, C. Zhao, J. Xing, Y. Liu, J. Jin, L. Sun ENVR 632. Isolation and characterization of biochar-derived organic matter fractions and their phenanthrene sorption. J. Jin, Z. Du ENVR 633. Effect of pH Change on the efficacy of Acacia senegal as a coagulant for rubber processing effluent treatment. O.C. Ize-Iyamu, O.K. Ize-Iyamu, J.U. Ukpebor, F.U. Mohammed, E.R. Owhoudue, E.E. Ukpebor ENVR 634. Screening of methyl paraben and propyl paraben specific binding peptide from phage display library. J. Lee, S. Bang, Y. Kim, J. Min ENVR 635. Comparison between activities of N,N-dimethylp-nitrosoaniline and tungsten carbide nanoparticles as spin traps in process of hydroxyl radicals formation during chloride-free electrolysis of water contaminated with E.coli. N. Barashkov, T. Sakhno, I. Irgibaeva, A. Aldongarov, A. Mantel

ENVR 636. Targeted and non-targeted analysis of organic pollutants in PM2.5 by comprehensive two-dimensional gas chromatography coupled with time-of-flight mass spectrometry. L. Qiao, M. Zheng, L. Gao ENVR 637. Sequential extraction of iron components with high purity from mixed metal chlorides by calcium carbonate. H. Yang, S. Yoon, K. Kim, N.H. Hur ENVR 638. Fluorescence method for determination of photochemically generated peroxynitrite in seawater. A.O. Adesina, K. Takeda, H. Sakugawa ENVR 639. Impacts of the Gold King Mine Spill have measurable effects on Navajo agricultural lands. J. Froyum, J.C. Ingram ENVR 640. Pesticide profiles in marsh sediment cores obtained from the tidal Potomac River. E. Lang, G.D. Foster, T.B. Huff, R. McBride, D. Velinsky ENVR 641. Synthesis of AFm and AFt phases to sequester halides from flue gas desulfurization (FGD) wastewater. A. Manikonda, V. Ogunro ENVR 642. How not to violate the first law of thermodynamics when modeling the oxidation of atmospheric Hg(0) by OH radical. T.S. Dibble, H.L. Tetu, Y. Jiao ENVR 643. Sorption of ciprofloxacin to aquatic colloids determined through fluorescence quenching. C. Ajjan ENVR 644. Placenta barrier to polycyclic aromatic hydrocarbon transfer from mother to fetus in Kunming, China: The impact of pregnancy complications. J. Peng, F. Xu, L. Liu, X. Dong ENVR 645. Testing the bioavailability of heavy metals in soils polluted by a tungsten mine. S. Chen, G. Qiu, L. Hesheng ENVR 646. Treatment of chromium-containing industrial effluents with a hybrid process comprising of nanofiltration solvent extraction. A. Zakmout, F. Hassaine-Sadi ENVR 647. Relationship between molecular components and reducing capacities of humic substances. J. Lv, S. Zhang ENVR 648. Coated air filters for removal of molecular and airborne particulate pollutants. Y. Luo, W. Chen, V.C. Ramos, S. Song, K. Kwan, W. Han, K. Yeung ENVR 649. Photolysis of ofloxacin and sulfamethoxazole. S. Chen, L. Hesheng, G. Qiu ENVR 650. Making water permeable ceramic tiles from wasted ceramics. S. Chen, G. Qiu, L. Hesheng ENVR 651. Synthesis and characterization of Vanillin derived azo dyes and investigation of their photophysical properties as chemical sensors. M. Zaqout, M. Mustafa, H.D. Tabba, Y.M. Hijji ENVR 652. Structural characterization and surface probing of composition-tunable gold-palladium nanoalloys for CO oxidation. L. Velasco, H. Kareem, S. Shan, Z. Wu, J. Luo, V. Petkov, C. Zhong ENVR 653. Study of processes of reduction-oxidation of chromium ions in aqueous solution under action of the direct current discharge of atmopheric pressure in argon. A. Izvekova ENVR 654. Distribution, sources and carcinogenic potential of polycyclic aromatic hydrocarbons in farmlands around the vicinity of tobacco processing industry, Oke-Aran, Igboho, Oyo- State Nigeria. J.O. Ajibade, T.A. Adedosu, H.O. Adedosu, O.I. Mufutau ENVR 655. Benzotriazole removal mechanisms in biofilters planted with Carex praegracilis. C.C. Pritchard, Y. Cho, N. Ashoori ENVR 656. Disinfection by-products as green pesticides? G. Wu, W.W. Wu ENVR 657. Synthesis and characterization of acetaminophen derived azo dyes and investigation of their photo physical and biological properties. A. Khattabi, M. Mustafa, H.D. Tabba, Y.M. Hijji ENVR 658. Differences in resistance mechanisms between the root and leaf tissues of hyperaccumulator Microsorum pteropus in response to Cd. X. Lan, Y. Yan, F. Xu ENVR 659. Simultaneous arsenic and fluoride removal using high-index TiO2: From macroscopic level to molecular scale. Z. Zhou, C. Jing ENVR 660. Kinetics study of heterogeneous reactions of n-butylamine with succinic acid using an ATR-IR flow reactor. Y. Liu ENVR 661. Electrostatic potential mapping within aluminosilicate clays: principles that govern organic cation sorption. A.M. Richard, W. Jolin, A. MacKay, J. Gascon ENVR 662. Gas separation by mixed matrix membranes containing inorganic nano-particles ZIF-8 and polymeric membrane PEBAX for CO2 capture. J. Kim, T. Park, E. Chung ENVR 663. Modeling agricultural pesticide concentration and load trends in U.S. streams and rivers. K. Ryberg, B. York

SECTION A Boston Convention & Exhibition Center Exhibit Hall B2/C

Electrical/Electrochemical Technologies for Environmental Applications B. P. Chaplin, D. Wang, X. Xie, Y. Yang, Organizers 6:00 – 8:00 ENVR 672. Polyaniline-coated carbon nanotube ultrafiltration membranes: enhanced anodic stability for In situ cleaning and electro-oxidation processes. A. Ronen, W. Duan, S.L. Walker, D. Jassby ENVR 673. Novel strategy for recycling of electrons: Simultaneous reduction of CO2 and electrochemical oxidation of aqueous phenol. C. Guo, G. Zhao ENVR 674. Electrocoagulation removal of perfluorocarboxylic acids (PFCAs) (C4-C10) from aqueous solution. L. Xu, H. Lin, J. Niu, J. Wu ENVR 675. Simultaneous electrochemical production of hydrogen peroxide and degradation of organic pollutants. J. Lim, M.R. Hoffmann ENVR 676. Study on stability of TiO2 nanotube arrays electrode prepared by anodic oxidation. C. Mo, H. Wei ENVR 677. High efficient organic pollutants degradation and simultaneous electricity production based on solar photocatalytic initiation. J. Bai ENVR 678. Electrochemical cell lysis of Gram-positive and -negative bacteria for DNA extraction. S. Wang, M.R. Hoffmann ENVR 679. Formation of chlorinated byproducts during electrochemical oxidation of perfluoroalkyl acids in the presence of chloride. L. Wang, J. Lu, Q. Huang

SECTION A Boston Convention & Exhibition Center Exhibit Hall B2/C

Emerging Challenges in the Era of Drinking Water Insecurity & Inequality & the Search for Low-Cost Solutions P. M. Gordon, A. Katner, J. L. Sarquis, Organizers 6:00 – 8:00 ENVR 680. Use of sulfide-based tailings from mining processes for effective copper removal from contaminated water. S.P. Chero Osorio, D. Chavez, J.C. Rodriguez-Reyes ENVR 681. Investigating the elevated risk of source water contamination imposed by an unprecedented natural disaster. H. Luo, H. Gai, R. Zhao, H. Lou, X. Lei ENVR 682. Legionella propagation in Flint, Michigan drinking water: Detection methods and water quality implications. H. Adejumo, A. Zarb, S.P. McElmurry, N. Love ENVR 683. What’s in your water? A look at water quality in Ecuador employing inexpensive labor and techniques. A.H. Coffman

SECTION A Boston Convention & Exhibition Center Exhibit Hall B2/C

Environmental Behaviors & Health Effects of Pollutants: A Symposium in honor of Professor Guibin Jiang W. Chen, D. D. Dionysiou, J. Liu, V. K. Sharma, B. Yan, Organizers

6:00 – 8:00 ENVR 684. Mercury isotopic compositions in aerosols and wet precipitations around a coal-fired power plant in Xiamen, China. D. Yuan, S. Huang ENVR 685. The influences of migration and reproduction on persistent organic pollutant levels in Kentish Plovers (Charadrius alexandrines) from western Bohai Bay, China. Q. Zhang, S. Zheng, P. Wang ENVR 686. Absorption characteristics of diazinon in radish. H. Shimazu ENVR 687. Fine particles regulate hematological effects through the crosstalk of KKS, complement and coagulation systems. J. Xiaoting, Q. Liu, Q. Zhou, G. Jiang ENVR 688. Pesticide transformation by nitrogen oxides on environmentally relevant surfaces. L. Su, N. Dai ENVR 689. Computational study on atmospheric transformation of monoethanolamine. H. Xie, J. Chen ENVR 690. Antimony exposure and speciation in human biomarkers near an active mining area in Hunan, China. L. Ye, C. Jing ENVR 691. HNO3 modified biochars for uranium (VI) removal from aqueous solution. Z. Du, J. Jin ENVR 692. Biodegradation of methamphetamine and ketamine in river under different conditions and the shift of bacterial community. W. Zhenglu, X. Zeqiong, L. Xiqing ENVR 693. Predicting trace metal bioavailability to chironomids in sediments by diffusive gradients in thin films. J. Xu, Y. He, C. Guo, J. Lv, Y. Zhang ENVR 694. Determination of particulate AgNPs in rat brain and liver. N. Liu, G. Qu, Q. Zhou, L. Hu, G. Jiang ENVR 695. Toxicity of rare earth element containing nanomaterials. G. Qu, G. Jiang ENVR 696. Adipogenic effects of tetrabromobisphenol A analogs in 3T3-L1 adipocytes. Q. Liu, Z. Sun, Q. Zhou, G. Jiang ENVR 697. Mapping interaction mechanism of PFOS adsorption by a nanoparticle library approach. H. Sun, H. Zhou, B. Yan ENVR 698. Ultrathin Cu-doped 2D ZnIn2S4 nanosheets for enhancing charge carrier separation to improve hydrogen evolution. S. Zhan, P. Wang

SECTION A Boston Convention & Exhibition Center Exhibit Hall B2/C

Environmental Biofilm Engineering: Harnessing the Power of Biofilms for Contaminant Removal & Resource Recovery H. Beyenal, B. Cao, R. Nerenberg, Organizers 6:00 – 8:00 ENVR 699. Cd2+ ions increased biomass and biovolume of Halanaerobium praevalens biofilm. Y. Yang, O. Monzon, P.J. Alvarez ENVR 700. Performance of nitrogen-fixing anodic biofilms for potential ammonia production in microbial electrochemical technologies. J. Ortiz Medina, M. Hyman, A. Grunden, D.F. Call ENVR 701. Analysis for cell surface characteristics of two different microorganisms and their adsorption behavior to organic compounds. Z. Cheng, C. Kennes, J. Chen, D.D. Dionysiou ENVR 702. Mathematical modeling of an integrated system using psychrophilic anaerobic digestion to optimize COD/N ratio for mainstream granular nitritation-anammox processes. Y. Sun, X. Li, Z. Wang, Z. He ENVR 703. Mathematical modeling of deep-bed biofiltration to describe contaminant control and headloss development. Y. Sun, W. Khunjar, E. RoseRosenfeldt, M. Selbes, Z. Wang ENVR 704. Simultaneous electricity generation and biotreatment of potato processing wastewater using microbial fuel cell technology. A.Y. Radeef, Z.Z. Ismail

SECTION A Boston Convention & Exhibition Center Exhibit Hall B2/C

Environmental Health & Safety of Emerging Chemicals & Technologies Cosponsored by AGRO‡ S. Huo, Y. Li, X. Pan, B. Zhang, Organizers 6:00 – 8:00 ENVR 705. Identification of Cd-responsive ATP binding cassette (ABC) transporter genes in rapeseed (Brassica napus). Z. Yang, X. Zhang ENVR 706. Current advancement in biopesticide development and the investigation of RNA-mediated technology for pest control. X. Pan, R.L. Nichols, B. Zhang

ENVR 707. Testing two synthesized indenopyridine hydrochlorides effects on spermatogenesis using the Caenorhabditis elegans model. X. Pan, J. Henry, L. Qiu ENVR 708. Sources and presence of opiates and amphetamines in water, sediment and biota in the tidal freshwater Potomac River and its tributary embayments. A. Leahigh, G.D. Foster, T.B. Huff, R.C. Jones, K. De Mutsert ENVR 709. Selective adsorption of tobacco specific nitrosamines by tailored activated carbon and graphene. J. Zhu, C. Shi, X. Sun, Y. Wang ENVR 710. Molecular dynamics study on calcium induced conformation pathway for annexin A1 and S100A11. K. Lewis ENVR 711. Environmental safety and human health risk of Triclosan substitutes used in pharmaceuticals and personal care products. S. Buddha, A. Tilahun

SECTION A Boston Convention & Exhibition Center Exhibit Hall B2/C

Environmental Obesogens: Exposure Pathways, Mechanism of Action & Trends Cosponsored by AGRO J. Legler, B. G. Loganathan, G. Malarvannan, Organizers 6:00 – 8:00 ENVR 712. Zebrafish as a model for obesity: Altered adipogenesis in zebrafish larvae following high fat diet and developmental chemical exposure. J. Legler, M. den Broeder, M. Moester, J. Kamstra, L. Kamminga, F. Ariese ENVR 713. Potential environmental obesogens in environmental and biological samples from western Kentucky. B.G. Loganathan ENVR 714. Persistent organic pollutants: Relation with visceral adiposity and glucose metabolism. M. Govindan, A. Dirtu, E. Dirinck, P. Jorens, V. Luc, A. Covaci

SECTION A Boston Convention & Exhibition Center Exhibit Hall B2/C

Fate of Nanomaterials in Consumer Products: Transformation & Transportation in the Environment S. R. Al-Abed, P. Potter, Organizers 6:00 – 8:00 ENVR 715. Metal nanomaterials in consumer products; lack of identification and characterization. B. Lee, H. Kim, M. Song, K. Yu, D. Park ENVR 716. Displacement reactions on coated TiO2 NPs with humic acid and the implications on their fate in the environment. H. Wu, N.I. Gonzalez Pech, V.H. Grassian

SECTION A Boston Convention & Exhibition Center Exhibit Hall B2/C

Green Chemistry & the Environment A. Balu, R. Luque, S. O. Obare, N. Vaidya, Organizers 6:00 – 8:00 ENVR 717. Derivatization and characterization of cellulose derivatives for synthetic polymer production. M.K. Lauer, T. Thiounn, A.G. Tennyson, R.C. Smith ENVR 718. Finding the sustainable reagents for your reaction-specific needs. N. Vaidya ENVR 719. The selectie catalytic reduction of NO over Ce0.3TiOx-supported metal oxide catalysts. Z. Duan, J. Liu ENVR 720. Green, efficient and recyclable platinum-nickel alloy nanocatalysts for the synthesis of oxime derivatives. S.S. Albalawi, S.O. Obare ENVR 721. Recovery of iron as goethite in the presence of carbonate and dissolved oxygen by fluidized-bed hom*ogeneous granulation(FBHG). T. Wu, Y. Shih, Y. Huang ENVR 722. Reclamation of nickel in wastewater as basic nickel carbonate crystal by fluidized-bed hom*ogeneous crystallization (FBHC). S. Wang, Y. Shih, Y. Huang ENVR 723. Formation of iodinated disinfection byproducts during oxidation of amino acid chlorination in waters. Q. Lin, F. Dong, C. Li, Y. Li, F. Luo ENVR 724. Biogas reforming to produce syngas: System optimization on components for low carbon emissions. X. Chen, R. Liu, J. Jiang, S. Zhang ENVR 725. Effects of hydrogen sulfide on the PEBAX 2533 polymeric membrane for carbon dioxide/hydrogen separation. T. Park, J. Kim, E. Chung

SECTION A Boston Convention & Exhibition Center Exhibit Hall B2/C

175

TECHNICAL PROGRAM

ENVR 664. Degradation of polymers using natural products. N. Alkhurayef, N. Alfaifi, A.A. Alothman, A. ElFaham, Z. Almarhoon ENVR 665. Comparison of chlorinated solvent dechlorination rates across batch-, laboratory-, and pilotscales. J. Hnatko, L. Yang, J. Elsey, T. Tang, M. Arshadi, J. Christ, K. Pennell, N. Capiro, L. Abriola ENVR 666. Investigating the cause of death fish washed ashore on an artificial lake in South Texas. D. Marquez, V.M. Morales, E. Vazquez, E. Padilla, A.K. Addo-Mensah ENVR 667. Molecular detection of acylhom*oserine lactones (AHLs) in complex matrices. S. Putnam, A. Lourie, A. Decho, J.L. Ferry ENVR 668. Occurrence of hexachlorobutadiene in roadside soils surrounding a waste incineration plant in Eastern China. H. Zhang, L. Jiang ENVR 669. The relation between algae and natural antioxidants. A.M. Arcement, F. Louka, L. Konur ENVR 670. Cyclic alkanes transfer dehydrogenation using hom*ogeneous iridium pincer catalysts. Z. Al Saihati, M.C. Haibach, N. Swisher, B.M. Stoltz, R.H. Grubbs ENVR 671. Monitoring eelgrass productivity in response to environmental stressors. H.J. Lea, K.E. Buenau, C. Thurman, R.M. Thom, J. Vavrinec

TECHNICAL PROGRAM

ENVR

R. Lohmann, Y. Ma, Organizers 6:00 – 8:00 ENVR 726. Analysis of legacy and emerging flame retardants in two avian species from the Niagara Migration Flyway using gas chromatography tandem mass spectrometry. S. Travis, A. Pérez-Fuentetaja, D.S. Aga ENVR 727. Evaluation of legacy and dioxin contaminant levels in salmonid tissues from a Lake Ontario tributary. A.J. Garner, J.J. Pagano

ENVR 740. Evaluation of adsorption and biodegradation for effective sulfamethoxazole removal: Kinetic and mechanism studies. D. Pham, S. Meyer, M. Li ENVR 741. Development of hollow carbon spheressupported Pd-based catalysts for efficient sorption and reduction of nitrate and nitrite. K. Hong, J. Choe, Y. Choi ENVR 742. Enhanced dechlorination of carbon tetrachloride in nontronite suspension with Shewanella putrefaciens. S. Bae, W. Lee ENVR 743. Stabilization of heavy metals by char formation via pyrolysis treatment of TPH and heavy metal contaminated dredged sediment. K. Kim, G. Joo, Y. Choi

SECTION A

SECTION A

Legacy & Emerging Organic Contaminants in the Great Lakes, Seas & Oceans

Boston Convention & Exhibition Center Exhibit Hall B2/C

Legacy & Emerging Per- & Polyfluoroalkyl Substances: Identification, Fate, Transport, Exposure & Removal K. Chu, J. Liu, M. F. Simcik, F. Xiao, Organizers 6:00 – 8:00 ENVR 728. Degradation of per- and polyfluoroalkyl substances (PFASs) by sulfate radicals generated from activation of peroxymonosulfate. Y. Zhang, J. Liu, S. Ghoshal ENVR 729. Mass budget for subsurface and riverine PFAs transport and retention in a coastal groundwater and surface water system. B. Ruyle, A. Tokranov, H. Pickard, E. Sunderland ENVR 730. Thermodynamic calculations for the transformation of PFOA and PFOS by sulfate radicals: Feasibility, pathways, and reaction mechanisms. Y. Zhang, A.H. Moores, J. Liu, S. Ghoshal ENVR 731. Refining quantification strategies of per and polyfluoroalkyl substances in aquatic species: Toward a robust multi-analyte method. G. Auger-Casavant, G. Munoz, S. Vo Duy, J. Liu, S. Sauvé ENVR 732. PFAS exposure assessment, fate and transport, and chemometrics: A superfund research project. H.M. Pickard, A.K. Tokranov, L.B. Barber, C. Dassuncao, X.C. Hu, B. Ruyle, A.M. Vajda, D.R. LeBlanc, C.D. Vecitis, E. Sunderland

SECTION A Boston Convention & Exhibition Center Exhibit Hall B2/C

Nanobubbles: A Sustainable Solution for Water Treatment & Agricultural Applications J. Meegoda, V. Prigiobbe, W. Zhang, Organizers 6:00 – 8:00 ENVR 733. Effects of bubble characteristics and solution chemistry on nano bubbles transport in saturated porous media. S. Hamamoto, A. Ejiri, T.Q. DANG, N. Nihei, T. Takemura, K. Suzuki, S. Bradford, T. Nishimura

SECTION A Boston Convention & Exhibition Center Exhibit Hall B2/C

Novel Treatment Approaches for Emerging Contaminants in Groundwater Systems Cosponsored by AGRO N. Capiro, D. E. Helbling, M. Li, Organizers 6:00 – 8:00 ENVR 734. Adsorption of Cd(II) to graphene oxide. I. Lopez, J.G. Parsons ENVR 735. Reactive ion exchange-assisted high removal capability for trace Cr(VI) removal. R. Verma, S. Sarkar ENVR 736. Improving the efficiency of a permeable reactive barrier in TCE and VC remediation of contaminated groundwater. S. Saffari Ghandehari, G. Niño de Guzmán, B. Hensel, C. Bodenreider, C.J. Hapeman, D. Jackson, A. Torrents, B. Kjellerup, P. Millner ENVR 737. Uncovering a novel bacterial monooxygenase that breaks down 1,4-dioxane. M. Li, D. Deng, F. Li ENVR 738. Kinetics and inhibition of cometabolic oxidation of 1,4-dioxane and Co-contaminants by a novel Gram-negative propanotrophic bacterial isolate. D. Deng, J.M. Antunes, M. Li ENVR 739. Fast separation of heat stable salts. M. Aggrawal, J. Rohrer

SECTION A Boston Convention & Exhibition Center Exhibit Hall B2/C

Physicochemical & Biological Phenomena on Sorbent Surfaces in Environmental Applications S. Bae, J. Choe, Y. Choi, D. Werner, Organizers 6:00 – 8:00

176

Boston Convention & Exhibition Center Exhibit Hall B2/C

Thermochemical & Biochemical Conversions of Biomass to Biofuels & Biomaterials for Energy & Environmental Applications G. Chen, L. Fiori, J. L. Goldfarb, P. He, F. Li, M. T. Timko, M. Volpe, R. Volpe, M. Zhao, Organizers 6:00 – 8:00 ENVR 744. Torrefaction severity influences combustion and emission characteristics of agricultural waste briquettes as cookstove fuel. M. Barr, K. Kung, D. Sweeney, A. Ghoniem ENVR 745. Bioremoval of dibenzothiophene from synthetic fuels by modified clays. A. Soliev, S. Shahrear, A.E. Navarro, T. Demeke, B. Moreno

SECTION A Boston Convention & Exhibition Center Exhibit Hall B2/C

Waste to Product: Biological & Physicochemical Resource Recovery & Efficiency Cosponsored by AGRO K. Chandran, N. Love, K. Nelson, W. Tarpeh, K. Wigginton, Organizers 6:00 – 8:00 ENVR 746. The impact of disinfection Ct values on cytotoxicity of recycled waters in hydroponics systems: Ozonation vs. chlorination. S. Dong, N. Massalha, M.J. Plewa, T.H. Nguyen ENVR 747. Pharmaceutical interactions with biochar in fresh and hydrolyzed urine. A. Solanki, T.H. Boyer ENVR 748. Urine, a sustainable fertilizer for the future? M. Pandorf, G. Hochmuth, T.H. Boyer ENVR 749. Emission reduction utilizing locational emissions estimation methodology by the Lake Huron Water Treatment Plant. S.C. Lingenfelter, A. Saiyad, B. Elias, C. Steary ENVR 750. Novel synthesis method for nanoscale zerovalent iron from coal fly ash and its application as an environmental catalyst. S. Yun, H.S. Kim, S. Bae

SECTION A Boston Convention & Exhibition Center Exhibit Hall B2/C

Wastewater-Based Epidemiology: Opportunities & Challenges D. A. Burgard, B. G. Loganathan, B. Subedi, Organizers 6:00 – 8:00 ENVR 751. Estimation of the consumption of illicit drugs during special events in two communities in Western Kentucky, USA using sewage epidemiology. K. Foppe, T.L. Croft, D.R. Hammond-Weinberger, B. Subedi ENVR 752. Application of sewage epidemiology to determine community use rate of drugs: Neuropsychiatric and illicit drugs in wastewater and river waters from a community in the Midwestern United States. A.J. Skees, K. Foppe, B.G. Loganathan, B. Subedi ENVR 753. Detection of synthetic stimulant drugs in sewage using liquid chromatography tandem mass spectrometry. J. Luo, S. Pagsuyoin, D. Bello

SECTION A Boston Convention & Exhibition Center Exhibit Hall B2/C

Water Reuse & Recycling: Innovative Solutions for Treatment & Implementation Cosponsored by AGRO Y. Deng, D. Kriner, T. Wu, Organizers 6:00 – 8:00 ENVR 754. Production of a series of multi-dentate ligands with potential to act as water remediators. M. Ruprecht, B. Sliwinski, B. Sosnowski, P. Fitzgerald, J. Pothoof, M.A. Benvenuto, S.P. Kosmas

ENVR 755. Emergency water treatment(EWT) with ferrate(VI) in responses to natural disaster. J. Cui, L. Zheng, Y. Deng ENVR 756. Combined treatment of municipal wastewater and acid mine drainage utilizing sulfidogenic bioreactors: kinetic and microbial community analysis. D. Deng ENVR 757. Equilibrium studies on the adsorption and desorption of malachite green dye by spent tea leaves. Y. Zerhouni, Z. Elzoeiry ENVR 758. Advanced treatment of recalcitrant industrial biological effluent by an upgraded fluid-bed Fenton technology. T. Zhou, X. Wu, J. Mao

THURSDAY MORNING SECTION A Boston Convention & Exhibition Center Room 103

Advanced Oxidation for Water Treatment: Applications & Implications Various AOPs & Materials for AOPs E. Asenath Smith, D. D. Dionysiou, G. Li Puma, D. Minakata, K. E. O’Shea, Organizers K. Doudrick, W. Song, Organizers, Presiding 8:00 Introductory Remarks. 8:05 ENVR 759. Comparative study of the common persulfate activation techniques for the complete degradation of an NSAID: The case of Ketoprofen. A. Ghauch, M. Amasha, A. Baalbaki, Z. Abou Khalil 8:30 ENVR 760. Transformation pathway of lipid regulator by ClO* and the toxicity changes. X. Kong, Z. Wu, S. Hou, K. Guo, J. Fang 8:55 ENVR 761. Oxidation of organic contaminants by unactivated peroxymonosulfate: Roles of reactive species and direct oxidation. Y. Yang, G. Banerjee, G.W. Brudvig, J. Kim, J.J. Pignatello 9:20 ENVR 762. Efficient removal of ketamine by Ag3PO4/gC3N4 nanocomposites: Reaction mechanism, impacts of coexisting substances and risk assessment of its degradation products. C. Guo, M. Chen, J. Lv, J. Xu, Y. Zhang 9:45 Intermission. 10:00 ENVR 763. Optimization of a titanium dioxide nanotube anode for the photoelectrochemical degradation of emerging organic contaminants in drinking water and wastewater. S.L. Gora, Y. Gao, Y. Park, B.F. Trueman, G.A. Gagnon 10:25 ENVR 764. Ti/TiO2 nanotubes electrodes for photoelectrochemical degradation of methylene blue dye for water treatment. J.R. Gonzalez Moya, I. Santos, G. Machado, C. Dares 10:50 ENVR 765. Removal of reactive black 5 by zinc oxide nanoscale photocatalyst through adsorption and photodegradation from water and their recycle. M. Ou, Y. Shih 11:15 ENVR 766. Efficient electro-Fenton oxidation process with functional “metal-carbon” aerogel. Z. Hongying, L. Qian, G. Zhao 11:40 Concluding Remarks.

SECTION B Boston Convention & Exhibition Center Room 161

Nanobubbles: A Sustainable Solution for Water Treatment & Agricultural Applications J. Meegoda, V. Prigiobbe, W. Zhang, Organizers, Presiding 8:45 Introductory Remarks. 8:50 ENVR 767. Molecular dynamics computer simulations study of nanobubble creation and stability. S. Min, M.L. Berkowitz 9:15 ENVR 768. Electrochemistry of individual nanobubbles. H. Ren, M. Edwards, S. German, H.S. White 9:40 ENVR 769. Thermodynamics of nanobubbles at solid– liquid interfaces. L. Zargarzadeh, J.A. Elliott 10:10 Intermission. 10:20 ENVR 770. Dependence of bubble size and zeta potential on membrane surface coating, pore size, injected gas pressure and other water chemistry factors. W. Zhang, A. Ahmed, T. Marhaba 10:45 ENVR 771. Behaviours of nanobubbles (NBs) in the solutions of surfactants and metal ions. B. Thi Thuy, M. Han 11:10 ENVR 772. Verifying sub-micron (nano) bubbles generation and their fundamental characteristics. T. Kim, M. Han, J. Kim 11:35 ENVR 773. Effect of degassing on the aggregation of carbon nanotubes dispersed in water. C. Chen, J. Huang, I. Hwang, H. Choi, P. Lai, C. Chan

Boston Convention & Exhibition Center Room 104A

Physicochemical & Biological Phenomena on Sorbent Surfaces in Environmental Applications Cosponsored by BIOL S. Bae, J. Choe, Y. Choi, D. Werner, Organizers, Presiding 8:00 Introductory Remarks. 8:05 ENVR 774. Rapid adsorption-microbial reduction of dissolved perchlorate by novel amine-crosslinked magnetic biopolymer resin. W. Song, B. Gao 8:25 ENVR 775. Sorption of perfluoroalkyl acids to fresh and aged nanoscale zerovalent iron particles. Y. Zhang, Y. Zhi, J. Liu, S. Ghoshal 8:45 ENVR 776. Degradation of PFOS sorbed on surfactantmodified zeolite by hydrated electrons generated from UV-phenol system. J. Song, Y. Choi, J. Choe 9:05 ENVR 777. Impact of manganese oxide-coated granular filter media on disinfection byproduct formation. A. Bazilio, C. Nguyen, X. Mai, J.E. Tobiason 9:25 ENVR 778. Elucidation of surface properties of montmorillonite after acid-base reaction and its effect on Cd adsorption. I. Jeon, J. Jung, K. Nam 9:45 Intermission. 10:00 ENVR 779. Tailored carbons as non-conventional adsorbents and adsorbent-catalysts. J.J. Pignatello 10:40 ENVR 780. Role of structural water and hydroxide vacancies in defluoridation mechanisms of calcium hydroxyapatite. D.S. Mosiman, A. Sutrisno, R. Fu, B.J. Marinas 11:00 ENVR 781. Comparison of the performance of confined deep eutectic solvents and ionic liquids for the separation of carbon dioxide from methane using molecular dynamics approach. Y. Shen, F.R. Hung 11:20 ENVR 782. Adsorption phenomena and related mechanisms of airborne nanoparticles on porous materials. Z. Li, Y. Liu, C. Tsai, Y. Xing, P. Lu, L. Yin, R.T. Yang 11:40 Concluding Remarks.

SECTION E Boston Convention & Exhibition Center Room 260

Wastewater-Based Epidemiology: Opportunities & Challenges Cosponsored by ANYL D. A. Burgard, B. G. Loganathan, B. Subedi, Organizers, Presiding 8:00 ENVR 783. Urban metabolism metrology: Policy changes and lessons learned from a U.S. case study. R.U. Halden 8:45 ENVR 784. Tracking population stress via analysis of wastewater-borne glucocorticoid hormones. E.M. Driver, A. Gushgari, J.C. Steele, R. Halden 9:10 ENVR 785. Immunoassay methods to detect isoprostane: A biomarker of oxidative stress in waste water. T. Drum, C.G. Daughton, J.M. Van Emon 9:35 ENVR 786. Modelling illicit drug fate in sewers for wastewater-based epidemiology. B. Plosz 10:00 Intermission. 10:15 ENVR 787. Analytical challenges and alternatives for monitoring opioid consumption in communities using wastewater-based epidemiology. A. Venkatesan, J. Chen, R. Halden 10:40 ENVR 788. Determination of drugs of abuse in wastewater via SPE-GC-MS/MS. K.J. Bisceglia, J. Aquino, G. Kroening 11:05 ENVR 789. Distribution of antibiotic resistant bacteria in sewage treatment plants in India. J. Kurasam, S. Sarkar, P. Mandal 11:30 ENVR 790. Mining the chemical information of urban wastewater: Monitoring human exposure to phosphorous flame retardants and plasticizers. F. Been, M. Bastiaensen, F.Y. Lai, A.L. van Nuijs, A. Covaci 11:55 Concluding Remarks.

SECTION F Boston Convention & Exhibition Center Room 162B

Electrical/Electrochemical Technologies for Environmental Applications Cosponsored by ENFL B. P. Chaplin, D. Wang, X. Xie, Y. Yang, Organizers, Presiding 8:00 Introductory Remarks. 8:05 ENVR 791. Nanomachines-based environmental remediation. J. Wang

8:45 ENVR 792. Power production from salinity gradient using Prussian blue analogue based hybrid supercapacitor system. J. Lee, S. Hong, K. Jo, J. Yoon 9:10 ENVR 793. Polyaniline nanofiber electrodes for reversible capture and release of mercury(II). Y. Kim, T.M. Swager 9:35 ENVR 794. Alkaline intercalated Ti3C2 MXene for simultaneous electrochemical detection of multiple heavy metal ions in aqueous environment. J. Hu, X. Zhu, B. Liu, H. Hou, J. Yang 10:00 Intermission. 10:15 ENVR 795. Chemical vapor deposited metal-organic covalent networks for electrocatalytic CO2 reduction. J. Zhao, M. Zhu, J. Zeng, K. Manthiram, K. Gleason 10:40 ENVR 796. Environmental applications of electrocoagulation technologies in water/wastewater treatment and site remediation: A decade of progress. T.C. Timmes 11:05 ENVR 797. Electro-Fenton degradation of pesticides by metal-organic framework-derived iron nanoparticles. M. Yu, K. Liu 11:30 ENVR 798. Electroanalytical and spectroscopic investigation of urine electrooxidation: The effect of major urine compounds on the activity of a nanostructured nickel cobaltite electrode. K. Doudrick, A. Schranck 11:55 Concluding Remarks.

SECTION G Boston Convention & Exhibition Center Room 152

Advanced Materials for Energy & the Environment: Design, Fabrication & Application Cosponsored by CEI and ENFL L. Arava, Organizer X. Ling, E. Ryan, Organizers, Presiding 9:00 ENVR 799. Ligand-functionalized polymer beads for efficient rare earth element separations. J.C. Callura, K.M. Perkins, N. Washburn, D.A. Dzombak, A. Karamalidis 9:20 ENVR 800. Computational design and optimization of porous heterogeneous hierarchical materials. Q. Ha, A. Roshandelpoor, P. Vakili, J.L. Goldfarb, E. Ryan 9:40 ENVR 801. Theoretical study of the adsorption of diatomic air pollutant on boron-rich boron nitride nanotube (BN-BNNT). H. Bae, H. Choi, H. Lee 10:20 Intermission. 10:35 ENVR 802. Engineering crystal facet of α-Mno2 nanowire for efficient catalytic oxidation of airborne formaldehyde. P. Zhang, S. Rong 10:55 ENVR 803. Development of a multi-adsorbent-based thermal desorption (TD)-GC-MS method using metal-organic frameworks and Tenax-TA for concurrent analysis of C1 to C5 aldehydes. T. Dutta, K. Kim, R. Brown, Y. Kim, D. Boukhvalov 11:15 ENVR 804. Fabrication of {001} facet-exposed TiO2 nanotubes photocatalyst filter for indoor air cleaner. S. Weon, W. Choi 11:35 ENVR 805. Hierarchical polymer foams for photocatalyzed water treatment of emerging contaminants: Science, technology and policy implications. A. Perlin, D. Glick, W. Heiger-Bernays, D. Kriner, J.L. Goldfarb

SECTION H Boston Convention & Exhibition Center Room 258B

Chemical Reactions at Solid-Water Interfaces of the Natural & Built Environment Catalysis/Photocatalysis Cosponsored by GEOC R. Doong, C. Huang, H. Kim, B. Pan, V. K. Sharma, Organizers J. Chang, W. Chen, S. Virender K, Presiding 8:00 Introductory Remarks. 8:05 ENVR 806. Bimetallic catalysis of nitrate on the Surface of Sn-Pd supported by kaolinite. S. Golagana, S. Hamid, S. Han, M. Babaa, W. Lee 8:35 ENVR 807. Enhanced catalytic reduction of nitrophenols by sodium borohydride over highly recyclable Au@graphitic carbon nitride nanocomposites. B. Nguyen, R. Doong, C. Huang 9:00 ENVR 808. Mechanism of hydroxyl radical production and azo dye degradation during Fe-doped TiO2 photocatalysis. C. Hung-Yi, J. Shen, J. Horng 9:25 ENVR 809. Role of surface structural property in graphene oxide’s environmental phototransformation, antibacterial effect, and photocatalysis. W. Hou, Y. Wang, P. Lee, S. Wu 9:50 Intermission.

10:10 ENVR 810. Stoichiometry of hydroxyl radicals for photodegradation mechanism of azo dye AO7. J. Shen, C. Hung-Yi, J. Horng 10:35 ENVR 811. PAHs degradation by persulfate-based oxidation process with iron–cerium bimetallic particles: Performances and mechanisms. C. Dong, C. Chen, C. Hsiung, C. Hung 11:00 ENVR 812. Carbon-silicon composites prepared from recycled kerf-loss silicon particles in diamond-wire saw slicing process and lignocellulose for negative electrodes of Li-ion batteries. C. Chou, W. Chen, S. Yen 11:25 ENVR 813. Applications of UV/H2O2 process in water treatments: Impacts of particulate organic matter. T. Ou, G. Wang 11:50 Concluding Remarks.

AGRO-SETAC Joint Symposium: Challenges of Utilizing Higher-Tier Ecotoxicity Data in Risk Assessment & Risk Management of Pesticides Sponsored by AGRO, Cosponsored by AGFD and ENVR

Functional Materials from Biopolymer Self-Assembly & Self-Organization Sponsored by CELL, Cosponsored by CARB, COLL, ENVR and POLY

THURSDAY AFTERNOON SECTION B Boston Convention & Exhibition Center Room 161

Nanobubbles: A Sustainable Solution for Water Treatment & Agricultural Applications J. Meegoda, V. Prigiobbe, W. Zhang, Organizers, Presiding 1:00 ENVR 814. Controlling arsenic mobilization at eutrophication-induced hypoxia/anoxia zones by oxygennanobubble. Y. Tang, M. Zhang, G. Pan 1:30 ENVR 815. Water treatment with nanobubbles. W. Russell 1:50 ENVR 816. Implementation of nanobubble based technologies in water treatment. A.J. Atkinson, O. Apul, S. Garcia-Segura, P.K. Westerhoff 2:10 ENVR 817. Ozone nano-bubbles: Improve water treatment and reduce energy consumption. J. Hewa Batagoda, J. Meegoda, S.D. Aluthgun Hewage 2:30 Intermission. 2:40 ENVR 818. Effect of nanobubble water on seed germination and its mechanism. S. Osh*ta, S. Liu, T.Q. Dang, S. Maeda 3:00 ENVR 819. Influences of air, oxygen, nitrogen, and carbon dioxide nanobubbles on seeds germination and plants growth. X. Shi, A.K. Ahmed, W. Zhang, T. Marhaba 3:20 ENVR 820. Critical surface hydrophobicity is required for stabilization of nanobubbles on functionalized silica surfaces. A.P. Goodwin 3:40 ENVR 821. Standardizing size measurement and concentration techniques for ultrafine bubbles. D.A. Griffiths, B. Coyne, J. Mehtala, S. Ward-Smith 4:00 Panel Discussion. 4:20 Concluding Remarks.

SECTION F Boston Convention & Exhibition Center Room 162B

Electrical/Electrochemical Technologies for Environmental Applications Cosponsored by ENFL B. P. Chaplin, D. Wang, X. Xie, Y. Yang, Organizers, Presiding 1:00 Introductory Remarks. 1:05 ENVR 822. Sunlight-assisted electrochemical desalination and simultaneous water treatment. K. Seonghun, G. Piao, B. Kim, D. Han, H. Park 1:30 ENVR 823. Promotional roles of ion-exchange membrane in electrochemical latrine wastewater treatment. Y. Yang, M.R. Hoffmann 1:50 ENVR 824. Rational design of electrochemical cells for high-efficiency and low-risk water disinfection. J. Zhou 2:10 ENVR 825. Polydopamine-protected copper-oxidenanowire enabling stable low-voltage electroporation for water disinfection. Z. Huo, X. Xie, H. Hu 2:30 Intermission. 2:40 ENVR 826. Design, implementation, and improvements on an integrated electrochemical wastewater treatment and recycling system for onsite sanitation in the developing world. C. Cid, M.R. Hoffmann

177

TECHNICAL PROGRAM

SECTION C

TECHNICAL PROGRAM

ENVR/GEOC 3:00 ENVR 827. Electrochemical coagulation and advanced oxidation processes for removing trace organic compounds. D.R. Ryan, B. Mayer, P. McNamara 3:20 ENVR 828. Iron oxide nanowires based filter for inactivation of airborne bacteria. D. Wang 3:40 ENVR 829. Electrochemical reduction of nitrate by Ti/ Co cathode. L. Tan, G. Zhang, C. Shuang 4:00 Concluding Remarks.

SECTION G Boston Convention & Exhibition Center Room 152

Advanced Materials for Energy & the Environment: Design, Fabrication & Application Cosponsored by CEI and ENFL E. Ryan, Organizers L. Arava, X. Ling, Organizer, Presiding 1:00 ENVR 830. Enhanced phosphate removal by hydrated lanthanum oxides confined in polystyrene networks: Application and mechanism. Y. Zhang, B. Pan 1:20 ENVR 831. Degradation of 1-chloronaphthalene and 2-monochlorobiphenly over the synthesized metal oxide nanomaterials and their hypothesized mechanisms. G. Su, H. Lu, L. Huang, M. Zheng 1:40 ENVR 832. Switchable hydrophilicity of heterogeneous polymer photocatalyst for the enhanced catalytic activity in water. J. Byun, K. Zhang 2:00 ENVR 833. The effect of MnO2 phase structure on the oxidative reactivity toward bisphenol a degradation. J.J. Huang, H. Zhang, S. Zhong 2:20 Intermission. 2:35 ENVR 834. Definition and classification system for advanced materials. T. Rycroft, A. Kennedy, C. Weiss, J. Brame, V. Zemba, M. Wood 2:55 ENVR 835. Nanobionic light-emitting plant. S. Kwak, J. Giraldo, M. Wong, V. Koman, T. Lew, J. Ell, M. Weidman, R. Sinclair, M. Landry, W.A. Tisdale, M. Strano 3:15 ENVR 836. Glucose amine Schiff bases as selective sensitive probe for detection of cyanide in aqueous media. Y.M. Hijji, H. Khalil, A. Elsafi, R. Rajan 3:35 ENVR 837. Development of nanofibrous membranes from rice flour for high efficiency filtration: Structure-property study. V. Intasanta, S. Woranuch, N. Subjalearndee, A. Pangon, K. Puagsantia 3:55 Concluding Remarks.

GEOC

Division of Geochemistry N. Kabengi, Program Chair OTHER SYMPOSIA OF INTEREST: Ion Transport at the Nanoscale: Research & Capabilities at the DOE’s Nano Centers (see PRES, Mon) Frontiers & Challenges in NanoparticleMediated Chemical Transformations (see COLL, Sun, Mon, Tue, Wed, Thur) Chemical Reactions at Solid-Water Interfaces of the Natural & Built Environment (see ENVR, Mon, Tue, Wed, Thu) Environmental & Energy-Related Inorganic Chemistry (see INOR, Tue, Wed) Environmental Radiochemistry (see NUCL, Mon, Tue, Wed) SOCIAL EVENTS: GEOC Social Hour, 6:00 PM: Tue BUSINESS MEETINGS: GEOC Board Meeting, 6:00 PM: Sun

SUNDAY MORNING SECTION A Boston Convention & Exhibition Center Room 257A

Interfacial Chemistry under Nano-scale Confinement Cosponsored by COLL L. J. Criscenti, Organizer A. Ilgen, Y. Jun, Organizers, Presiding

178

8:30 Introductory Remarks. 8:35 GEOC 1. Sweet confinement: Interactions of sugars confined at molecular interfaces. N.E. Levinger, B.P. Wiebenga-Sanford 9:05 GEOC 2. Nucleation of calcium phosphate in nanoscale confinement. D. Kim, B. Lee, S. Thom*opoulos, Y. Jun 9:25 GEOC 3. Partitioning of Cu between size fractions in ferrihydrite and humic acid organominerals. R. Mendes, T. Vadas 9:45 Intermission. 10:05 GEOC 4. Water under ultra-confinement: Implications for mineral stability. L. Anovitz, A.I. Kolesnikov, C. Hoffmann, G. Reiter, T. Prisk, P. Kent, E. Mamontov, D. Wesolowski 10:35 GEOC 5. Probing nano-scale confinement effects with rare earth elements. A. Ilgen, A. Knight 10:55 GEOC 6. Coupled chemo-mechanical fracture of silica in aqueous solutions. L.J. Criscenti 11:15 Concluding Remarks.

SUNDAY EVENING

Environmental Behaviors & Health Effects of Pollutants: A Symposium in honor of Professor Guibin Jiang

Microbial Chemical Processes & Advanced Nanotechnology for Contaminated Site Remediation

Sponsored by ENVR, Cosponsored by ANYL and GEOC

Environmental Nanometrology Sponsored by ENVR, Cosponsored by ANYL and GEOC

SUNDAY AFTERNOON SECTION A Boston Convention & Exhibition Center Room 257A

SECTION A Boston Convention & Exhibition Center Exhibit Hall B2/C

General Geochemistry N. Kabengi, A. Rouff, Organizers, Presiding 6:00 – 8:00 GEOC 16. Investigating partition coefficients of trace elements in amorphous calcium carbonate and the behavior of the incorporated ions during crystallization. B. Demmert, S. Wolf, D. Jacob GEOC 17. Chemicals derived from debris Polystyrene in waters and sands worlwide. K. Koizumi, K. Amamiya, M. Okada, T. Hiaki, K. Yamada, S. Chung, K. Saido

SECTION A Boston Convention & Exhibition Center Exhibit Hall B2/C

Cosponsored by ENVR E. Chung, B. H. Jeon, M. Kurade, Y. Ok, D. Tsang, Organizers 6:00 – 8:00 GEOC 18. Characterizing effective diffusion of protons, trichloroethylenes and breakdown products in cationic hydrogels. S.R. Wolfe, K. Hillyer, K.V. Waynant, J. Moberly GEOC 19. Microbial reductive dechlorination of tetrachloroethene under iron- and sulfate-reducing conditions. T.R. Duhl, S. Gaeth, N. Capiro

Interfacial Chemistry under Nano-scale Confinement

MONDAY MORNING

Cosponsored by COLL Y. Jun, Organizer L. J. Criscenti, A. Ilgen, Organizers, Presiding 1:00 Introductory Remarks. 1:05 GEOC 7. Hydrocarbons extraction potential of carbon dioxide in source rocks. I. Akkutlu 1:50 GEOC 8. Molecular simulations of nanostructure, gas adsorption, swelling, and wettability of kerogen. T.A. Ho, Y. Wang, L.J. Criscenti, A. Ilgen 2:20 Intermission. 2:40 GEOC 9. Confinement-induced solvent effects on electron transfer reactions at water-mineral interfaces. R. Remsing 3:00 GEOC 10. Electrokinetic transport of small molecules and ions through single-walled carbon nanotubes. M.D. Ellison, L.M. Nebel, L.D. Bricker, S. Menges, M. Strano 3:20 GEOC 11. Strict ion-exchange modeling for cation selective adsorption on Na-montmorillonite. Y. Li, C. Schulthess 3:40 GEOC 12. Properties of nano-scale confined water: How confinement disrupts hydrogen bonding networks. A. Knight, N. Kalugin, E.N. co*ker, A. Ilgen

SECTION A

SECTION A Boston Convention & Exhibition Center Room 257A

General Geochemistry N. Kabengi, A. Rouff, Organizers, Presiding 4:15 Introductory Remarks. 4:20 GEOC 13. Accumulation of arsenic, mercury and heavy metals in lacustrine sediment in relation to eutrophication: Impacts of sources and climate change. H. Shouliang 4:40 GEOC 14. Vanadium contaminated soil remediation: Stabilization using iron-based agents and batch extraction using volatile fatty acids. Q. Zou, J. Jiang, A. Aihemaiti, D. Li, Y. Gao, M. Yang 5:00 GEOC 15. Transport of heavy metals and radionuclides in produced water through porous media. Z. Ye, V. Srinivasan, V. Prigiobbe 5:20 Concluding Remarks.

Environmental Behaviors & Health Effects of Pollutants: A Symposium in honor of Professor Guibin Jiang Sponsored by ENVR, Cosponsored by ANYL and GEOC

Environmental Nanometrology Sponsored by ENVR, Cosponsored by ANYL and GEOC

SETAC-ENVR Joint Symposium: Legacy & Emerging Organic Contaminants in the Great Lakes, Seas & Oceans Sponsored by ENVR, Cosponsored by ANYL and GEOC

Boston Convention & Exhibition Center Room 257A

Molecular Understanding of the Structure & Reactivity of Mineral-Water Interfaces Cosponsored by COLL and ENVR L. J. Criscenti, Y. Hu, S. Lee, Organizers, Presiding 8:30 Introductory Remarks. 8:35 GEOC 20. An in situ look at water structure, molecular binding and self-assembly, and nucleation at mica surfaces. J.J. De Yoreo 9:05 GEOC 21. CH4, CO2 and H2O at clay mineral surface: Computational studies of adsorption. R. Bennick, M.D. Kilmer, L. Tribe 9:25 GEOC 22. Molecular dynamics simulation of interaction of aqueous solution with minerals nanoparticle, and nanoparticle aggregate. T.A. Ho, L.J. Criscenti, J.A. Greathouse, Y. Wang 9:55 GEOC 23. Adsorption of radionuclide cations on clay minerals - atomistic computational modeling of the basal and edge surfaces. A.G. Kalinichev, B.F. Ngouana-Wakou, I. Androniuk 10:15 Intermission. 10:35 GEOC 24. Adventures in vibrational spectroscopy at clay edges: Can experiments and molecular modeling agree? J. Harvey, C.T. Johnston, J.A. Greathouse 10:55 GEOC 25. The structural and compositional complexity of surfaces on minerals and organic matter in soils. M. Schindler 11:25 GEOC 26. Aluminum hydroxide nanocluster reactivity studied through computational chemistry. S.E. Mason 11:45 GEOC 27. Effect of anions on uptake of Zr nanoparticles on the muscovite (001) surface. S. Lee, K. Yuan, J. Bracco, M. Schmidt, P. Fenter, L. Soderholm

Environmental Behaviors & Health Effects of Pollutants: A Symposium in honor of Professor Guibin Jiang Sponsored by ENVR, Cosponsored by ANYL and GEOC

Ion Transport at the Nanoscale: Research & Capabilities at the DOE’s Nano Centers Sponsored by PRES, Cosponsored by ANYL, COLL, COMSCI, ENFL, ENVR, GEOC and SCHB

MONDAY AFTERNOON SECTION A Boston Convention & Exhibition Center Room 257A

Cosponsored by COLL and ENVR L. J. Criscenti, Y. Hu, S. Lee, Organizers, Presiding 1:15 GEOC 28. Determining the reactivity of steps at the calcite-water interface from computer simulation. M. De La Pierre, A. Schuitemaker, K. Koziara, R. Demichelis, P. Raiteri, J. Gale, A.G. Stack 1:45 GEOC 29. Adsorption of molecular and atomic ions on rutile surfaces from simulations using scaled charges. D. Biriukov, M. Predota, O. Kroutil, M. Kabelac, M.K. Ridley, M.L. Machesky 2:05 GEOC 30. Modeling competitive adsorption of phosphate and salicylate on the goethite (210) surface. J.D. Kubicki, J. Guo, L. Ma, T. Ohno, P.G. Hatcher 2:35 GEOC 31. Aggregation of ferrihydrite nanoparticles: Effects of pH, inorganic ions, and organic matters. J. Liu, C. Dai, C. Pham, D. Liang, Y. Hu 2:55 Intermission. 3:15 GEOC 32. Adsorption study of Al3+, Cr3+, and Mn2+ onto quartz and corundum using flow microcalorimetry, quartz crystal microbalance and density functional theory. N. Allen, C. Dai, Y. Hu, J.D. Kubicki, N. Kabengi 3:35 GEOC 33. Nanopore, surface disorder, and sorption controls on reactivity of the silica-water interface. J. Nelson, L. Zalles, K. Maher 3:55 GEOC 34. First principles study of metal ion desorption from deprotonated silica surfaces. K. Leung, L.J. Criscenti 4:15 GEOC 35. Optical label- and model-free probing of the surface potential of nanoscale silica particles in aqueous solution. A. Marchioro, C. Luetgebaucks, S. Roke 4:35 GEOC 36. Combining vibrational sum frequency generation and molecular dynamics simulations to probe the effect of ions on solvent structure at mineral- aqueous interfaces. E. Borguet

Environmental Behaviors & Health Effects of Pollutants: A Symposium in honor of Professor Guibin Jiang Sponsored by ENVR, Cosponsored by ANYL and GEOC

Environmental Radiochemistry Sponsored by NUCL, Cosponsored by GEOC

Ion Transport at the Nanoscale: Research & Capabilities at the DOE’s Nano Centers Sponsored by PRES, Cosponsored by ANYL, COLL, COMSCI, ENFL, ENVR, GEOC and SCHB

Chemical Reactions at Solid-Water Interfaces of the Natural & Built Environment Absorption Sponsored by ENVR, Cosponsored by GEOC

TUESDAY MORNING SECTION A Boston Convention & Exhibition Center Room 257A

Mechanistic Understanding of Mineral Growth & Dissolution S. Taylor, K. Yuan, Organizers, Presiding 8:30 Introductory Remarks. 8:35 GEOC 37. Using high-resolution chemical imaging techniques to understand the fate of impurities at the mineral-water interface over multiple scales: The example of (Ba,Sr)SO4, (Ca,Mg)CO3 and Ca(CO3,F). J. Weber, L. Anovitz, K. Littrell, J. Bracco, S.R. Higgins, A. Bertagni, S. Jindra, A. Ievlev, M. Lorenz, J. Poplawsky, V. Starchenko, K. More, A.G. Stack 9:05 GEOC 38. Geochemical modeling of arsenic coprecipitation and compositional zonation in barite. F.T. Ling, H. Hunter, J.P. Fitts, A. Lanzirotti, A.S. Acerbo, C.A. Peters 9:25 GEOC 39. Validity and limitations of the classical crystallization model. H. Teng 9:55 Intermission. 10:05 GEOC 40. Effects of irradiation on albite’s chemical durability. Y. Hsiao, E. La Plante, N. Krishnan, Y. Le Pape, N. Neithalath, M. Bauchy, G. Sant 10:25 GEOC 41. Iron oxides in reactive systems: Growth, dissolution, and beyond. J. Voelz, J.H. Strehlau, J.A. Soltis, N.D. Burrows, V. Yuwono, A.M. Vindedahl, W. Arnold, R. Penn 10:55 GEOC 42. Understanding face-specific interaction of Fe(II) and oxalate with hematite using AFM coupled to NanoSIMS Fe-tracer imaging. S. Taylor, J.B. Cliff, K.M. Rosso

11:15 Intermission. 11:25 GEOC 43. Microbial metabolite promoted mineral transformation and implications. Y. Tang, E. Saad, X. Wang, C. Reinhard, N. Planavsky 11:55 GEOC 44. Influence of trace metals on iron atom exchange during Fe(II)aq-promoted iron oxide recrystallization. P. Yue, C. Gorski, P. Larese-Casanova 12:15 Concluding Remarks.

Environmental Radiochemistry Sponsored by NUCL, Cosponsored by GEOC

Novel Treatment Approaches for Emerging Contaminants in Groundwater Systems Sponsored by ENVR, Cosponsored by AGRO‡, ANYL and GEOC

Chemical Reactions at Solid-Water Interfaces of the Natural & Built Environment Absorption Sponsored by ENVR, Cosponsored by GEOC

TUESDAY AFTERNOON SECTION A Boston Convention & Exhibition Center Room 257A

Mechanistic Understanding of Mineral Growth & Dissolution S. Taylor, K. Yuan, Organizers, Presiding 1:45 Introductory Remarks. 1:50 GEOC 45. Observing nucleation dynamics at the mica-water interface with molecular-resolution atomic force microscopy. B. Legg, C.J. Mundy, M.D. Baer, J.J. De Yoreo 2:20 GEOC 46. In-Situ 27Al NMR spectroscopy of aluminate in sodium hydroxide solutions above and below saturation with respect to gibbsite. T. Graham, M. Dembowski, E. Martinez-Baez, X. Zhang, N. Jaegers, J.Z. Hu, M. Gruszkiewicz, H. Wang, A.G. Stack, M.E. Bowden, C. Delegard, G. Schenter, A.E. Clark, S.B. Clark, A.R. Felmy, K.M. Rosso, C. Pearce 2:40 GEOC 47. Nucleation and growth of crystalline carbonates from amorphous precursors. D. Joester 3:10 Intermission. 3:20 GEOC 48. Custom micro- and millifluidic devices for controlled nanoparticle synthesis and real-time In situ characterization. M.M. Michel, R. Serra Maia, M. Bellier, A. Hoeher, K. Kletetschka, M. Bauer, J. Rimstidt, O. Borkiewicz 3:50 GEOC 49. Construction of photonic structures with minerals: The 3D nanoscopic architecture and formation mechanisms of the blue-rayed limpet shells. L. Li 4:20 Intermission. 4:30 GEOC 50. Application of a novel forward flux sampling procedure to the kinetics of water exchange on Li+, Ca2+ and Mg2+. A.F. Wallace, Y. Ma 5:00 GEOC 51. Adsorption mechanism of Cr(III) on boehmite nanoparticles and the effect of Cr(III) on the dissolution of boehmite in caustic solution. W. Cui, X. Zhang, Z. Wang, P. Li, S. Zheng, C. Pearce, K.M. Rosso 5:20 GEOC 52. Imaging calcite dissolution in the presence of metal ions by transmission X-ray microscopy. K. Yuan, S. Lee, V. De Andrade, N.C. Sturchio, P. Fenter 5:40 Concluding Remarks.

Environmental Radiochemistry Sponsored by NUCL, Cosponsored by GEOC

Novel Treatment Approaches for Emerging Contaminants in Groundwater Systems Sponsored by ENVR, Cosponsored by AGRO‡, ANYL and GEOC

Chemical Reactions at Solid-Water Interfaces of the Natural & Built Environment Redox Sponsored by ENVR, Cosponsored by GEOC

WEDNESDAY MORNING SECTION A Boston Convention & Exhibition Center Room 257A

Visualizing Heavy Element Contamination in the Environment at the Nanoscale Cosponsored by ENVR and NUCL E. Buck, L. He, Organizers J. A. Soltis, Organizer, Presiding 8:30 Introductory Remarks. 8:35 GEOC 53. Soft X-ray spectromicroscopy for the determination of radionuclide behavior in the environment. D.K. Shuh 8:55 GEOC 54. Uranium dioxides and debris fragments released to the environment with cesium-rich microparticles from the f*ckushima Daiichi Nuclear Power Plant. S. Utsunomiya, A. Ochiai, M. Suetake, T. Komiya, S. Yamasaki, G.T. Law, B. Grambow, T. Ohnuki, R.C. Ewing 9:15 GEOC 55. Challenges and opportunities in analyzing nuclear material with atom probe tomography. M. Bachhav, J. Gan, B. Miller, L. He, D. Jadernas, D. Keiser 9:35 GEOC 56. Uranyl peroxide nanocluster behavior at the mineral-water interface. L.R. Sadergaski, A.E. Hixon 9:55 GEOC 57. Contribution of nano-colloids to actinide solubility in high-salinity brine systems. D.T. Reed, M.K. Richmann, J. Swanson, E. Yalcintas 10:15 GEOC 58. Lead and uranium distribution in particles from the Pena Blanca site using Cs-corrected STEM. E. Buck, E.S. Ilton, B.W. Arey 10:35 Intermission. 10:55 GEOC 59. Structure and chemistry of heavy elements at mineral-water and mineral-gas interfaces. J. Stubbs, P.J. Eng 11:15 GEOC 60. Heavy metal speciation and spatial distribution in phosphate minerals crystallized from wastes. A. Rouff, G. Lager 11:35 GEOC 61. Direct observation of plutonium interaction with mineral surfaces using a combination of transmission electron microscopy and x-ray absorption spectroscopy. E. Balboni 11:55 GEOC 62. Coupling of defects and incorporation of uranium in hematite. E.S. Ilton, S. Shaw, K. Morris, J.A. Soltis, M.E. McBriarty 12:15 GEOC 63. Uranium speciation and atomic-scale distribution during formation and growth of iron oxide minerals. J.A. Soltis, M. McBriarty, S. Spurgeon, J.J. De Yoreo, E.S. Ilton

Chemical Reactions at Solid-Water Interfaces of the Natural & Built Environment Catalysis/Photocatalysis Sponsored by ENVR, Cosponsored by GEOC

WEDNESDAY AFTERNOON SECTION A Boston Convention & Exhibition Center Room 257A

Microbial Chemical Processes & Advanced Nanotechnology for Contaminated Site Remediation Cosponsored by ENVR Y. Ok, Organizer E. Chung, B. H. Jeon, M. Kurade, D. Tsang, Organizers, Presiding 2:00 Introductory Remarks. 2:05 GEOC 64. Utilization of zero-valent Mg as a powerful green reductant. G. Lee 2:40 GEOC 65. Potential identification of unregulated discharges from microbial population in river sediments. H. Tung, C. Yu, H.D. Kuo 3:15 GEOC 66. Formation of mixed-valent nano-precipitates due to electron transfer: Impact on chlorinated solvent degradation. J. Entwistle, D. Werner, D. Latta, M. Scherer, A. Neumann 3:40 GEOC 67. Physical and chemical mechanisms of uranium (U) and arsenic (As) sorption onto limestone. J. Gonzalez Estrella, I. Meza, A. Ali, J.S. Lezama-Pacheco, S.E. Fendorf, J.M. Cerrato 4:05 Intermission. 4:25 GEOC 68. In situ phytoremediation of organic contaminants from textile wastewater using garden ornamental plants in a constructed wetland. V. Chandanshive, S. Kadam, R. Khandare, M. Kurade, B. Jeon, J. Jadhav, S.P. Govindwar 5:00 GEOC 69. Microbially driven calcium carbonate precipitation: Kinetics and remediation applications. E. Lauchnor, E. Stoick, N. Zambare, A. Phillips, R. Gerlach 5:25 GEOC 70. Bioenhanced diffusion and dynamics of Dehalococcoides mccartyi strains in heterogeneous porous media. J. Hnatko, L. Yang, L. Abriola, N. Capiro

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TECHNICAL PROGRAM

Molecular Understanding of the Structure & Reactivity of Mineral-Water Interfaces

TECHNICAL PROGRAM

GEOC/HIST/I&EC 5:50 Concluding Remarks.

Chemical Reactions at Solid-Water Interfaces of the Natural & Built Environment General Sponsored by ENVR, Cosponsored by GEOC

THURSDAY MORNING Chemical Reactions at Solid-Water Interfaces of the Natural & Built Environment Catalysis/Photocatalysis Sponsored by ENVR, Cosponsored by GEOC

HIST

Division of the History of Chemistry N. Tsarevsky, Program Chair BUSINESS MEETINGS: Business Meeting, 1:30 PM: Sun

SUNDAY MORNING SECTION A Seaport Boston Hotel Constitution

Tutorial & General Papers N. V. Tsarevsky, Organizer, Presiding 8:15 HIST 1. African American women chemists, hiding in plain sight. J.E. Brown 8:45 HIST 2. Chemistry in South Korea before and after the Korean War. C.H. Do 9:15 HIST 3. Daguerreotypes, mirrors with a memory: The nanotechnology behind the first photographs. A. Schlather, P. Gieri, A. Manjavacas, S. Centeno 9:45 HIST 4. William G. Houskeeper and the centenary of the glass-to-metal seal. R.L. Hudson 10:15 Intermission. 10:30 HIST 5. Structures from the Werner-Jørgensen controversy: New crystallographic data in the context of the compounds’ first syntheses. D.R. Manke 11:00 HIST 6. Baeyer-Villiger oxidation: Discovery, discoverers and development. I. Henrich, D.E. Lewis 11:30 HIST 7. Rufus Phillips Williams (1851-1911): An exceptional nineteenth century American teacher of chemistry. W.P. Palmer

SUNDAY AFTERNOON SECTION A Seaport Boston Hotel Constitution

Past ACS Presidents: The Life & Career of Arthur Cope R. A. Egolf, J. Hayes, Organizers, Presiding 2:00 HIST 8. Service legacy of Arthur C. Cope - ACS and beyond. J. Hayes 2:30 HIST 9. Arthur C. Cope: His career and life. R.A. Egolf 3:00 HIST 10. Continuing the Cope legacy: The Arthur C. Cope Scholar Awards. J. Hayes

MONDAY MORNING SECTION A Seaport Boston Hotel Constitution

Louis Pasteur’s Discovery of Molecular Chirality: Review & Analysis on the 170th Anniversary J. Gal, Organizer G. S. Girolami, Organizer, Presiding 8:25 Introductory Remarks. 8:30 HIST 11. Pasteur: Biographical narrative. V.V. Mainz 9:00 HIST 12. Foundations of Pasteur’s discovery of molecular chirality. G.S. Girolami

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9:30 HIST 13. Why did Pasteur dissolve his crystals? B.E. Kahr 10:00 Intermission. 10:15 HIST 14. Louis Pasteur: A philatelic homage. D. Rabinovich 10:45 HIST 15. More stereochemical discoveries by Pasteur ahead of organic structural formulas. A. Greenberg 11:15 HIST 16. Biological aspects of molecular chirality: Some 19th-century highlights. C.J. Giunta

2:30 HIST 31. Aleksandr Butlerov and “chemical structure”. A.J. Rocke 3:00 Intermission. 3:15 HIST 32. Kazan School of Chemistry: A reinterpretation. N. Brooks 3:45 Award Presentation. 4:00 HIST 33. 1859-1860: Magic years in the development of the structural theory of organic chemistry. D.E. Lewis

Growing with Project SEED: 50 years and 10,000+ Students

WEDNESDAY AFTERNOON

Sponsored by PRES, Cosponsored by AGFD, AGRO, ANYL, BIOL, BMGT, CARB, CINF, COLL, ENFL, ENVR, HIST, I&EC, ORGN, PROF and SCHB

Sponsored by POLY, Cosponsored by HIST, PMSE and SCC‡

MONDAY AFTERNOON SECTION A Seaport Boston Hotel Constitution

Louis Pasteur’s Discovery of Molecular Chirality: Review & Analysis on the 170th Anniversary J. Gal, Organizer G. S. Girolami, Organizer, Presiding 1:30 HIST 17. Symmetry-breaking in organic fluids. D.M. Walba 2:00 HIST 18. Pasteur and the fine arts. B. Hansen 2:30 HIST 19. Pasteur and serendipity in science. J. Crassous 3:00 Intermission. 3:15 HIST 20. Path to Pasteur’s paratartrate discovery: New insights drawn from his wayward first two laboratory notebooks. G.S. Girolami, J. Gal 3:45 HIST 21. Nanoscience and chirality. T. Bürgi 4:15 HIST 22. Molecular chirality in chemistry and biomedicine Toda. C.J. Welch

MONDAY EVENING SECTION A Boston Convention & Exhibition Center Exhibit Hall B2/C

Polymer History

I&EC

Division of Industrial and Engineering Chemistry C. Abney and R. Mayes, Program Chairs OTHER SYMPOSIA OF INTEREST: Joint Symposium of the Separation Science Subdivisions (see ANYL, Wed) Colloidal & Interfacial Science in Separation Processes (see COLL, Sun, Mon) Pathways for Industrial Chemists Symposium (see INOR, Mon) Industrial Innovations in Polymer Science (see POLY, Mon) How to Get Your 1st Industrial Job (see PROF, Mon) BUSINESS MEETINGS: SS&T Subdivision Meeting, 12:00 PM: Sat I&EC Programming Committee Meeting, 1:00 PM: Sat I&EC Steering Committee Meeting, 2:00 PM: Sat I&EC Executive Committee Meeting, 3:00 PM: Sat I&EC Division Open Meeting, 4:00 PM: Sat

Sci-Mix N. V. Tsarevsky, Organizer 8:00 – 10:00 1-3, 6. See previous listings. 30. See subsequent listings.

TUESDAY MORNING SECTION A Seaport Boston Hotel Constitution

HIST Award Symposium Honoring David Lewis Cosponsored by PROF S. C. Rasmussen, Organizer, Presiding 8:30 Introductory Remarks. 8:45 HIST 23. Early history of polyaniline - revisited: Russian contributions of Fritzsche and Zinin. S.C. Rasmussen 9:15 HIST 24. Dehydration, dienes, high octane, and high pressures: Contributions from Vladimir Nikolaevich Ipatieff, a father of catalysis. C.P. Nicholas 9:45 HIST 25. Laboratory practices and disciplinary boundaries: The early history of deuterium. S.J. Weininger 10:15 Intermission. 10:30 HIST 26. Atomic volumes and Mendeleev’s development of the periodic table. V.V. Mainz, G.S. Girolami 11:00 HIST 27. Russia in the periodic table. M. Orna 11:30 HIST 28. Mikhail Vasilyevich Lomonosov (1711-1765): A Russian polymath and chemist. N.V. Tsarevsky

TUESDAY AFTERNOON SECTION A Seaport Boston Hotel Constitution

HIST Award Symposium Honoring David Lewis Cosponsored by PROF S. C. Rasmussen, Organizer, Presiding 1:30 HIST 29. Christian Hoffmann: Wandering chemist. I. Rae, S. Maroske 2:00 HIST 30. Twenty years of classic chemistry on the internet. C.J. Giunta

SUNDAY MORNING Moving the Safety Values of the ACS Forward Sponsored by PRES, Cosponsored by AGFD, ANYL, BIOL, BMGT, CA, CARB, CCS, CHAS‡, CINF, COLL, CPT, ENFL, ENVR, I&EC, ORGN, PROF and SCHB

Water Reuse & Recycling: Innovative Solutions for Treatment & Implementation Sponsored by ENVR, Cosponsored by AGRO and I&EC

Catalysis for Environmental & Energy Applications Sponsored by ENVR, Cosponsored by CATL, CELL, ENFL and I&EC

Waste to Product: Biological & Physicochemical Resource Recovery & Efficiency Sponsored by ENVR, Cosponsored by AGRO, ENFL and I&EC

SUNDAY AFTERNOON SECTION A Seaport Boston Hotel Seaport Ballroom C

Industrial Research of Chemists Local to the New England Region Cosponsored by CTA J. Saviano, Organizer K. D. Charette, Presiding 1:00 Introductory Remarks. 1:05 I&EC 1. Chemistry jobs: More than just the lab at Silberline. J.J. Kuhla 1:30 I&EC 2. BS/MS degrees in chemistry can provide many possible career paths. What about a path in sales and marketing? Let me tell you my story. T. Tani 1:55 I&EC 3. Journey from undergrad student to spearheading industrial research in metalworking fluid formulations. J. Christy-Saviano 2:20 Intermission. 2:35 I&EC 4. Glimpse into the life of an environmental chemist. K.R. Christy-Saviano

MONDAY EVENING

Moving the Safety Values of the ACS Forward

C. W. Abney, R. T. Mayes, Organizers 8:00 – 10:00 2, 7, 8, 15. See previous listings. 16, 37, 39-41, 43-45, 48-52, 54, 56, 59. See subsequent listings.

Sponsored by PRES, Cosponsored by AGFD, ANYL, BIOL, BMGT, CA, CARB, CCS, CHAS‡, CINF, COLL, CPT, ENFL, ENVR, I&EC, ORGN, PROF and SCHB

Water Reuse & Recycling: Innovative Solutions for Treatment & Implementation Sponsored by ENVR, Cosponsored by AGRO and I&EC

SECTION A Boston Convention & Exhibition Center Exhibit Hall B2/C

Sci-Mix

TUESDAY MORNING

Waste to Product: Biological & Physicochemical Resource Recovery & Efficiency

SECTION A

Sponsored by ENVR, Cosponsored by AGRO, ENFL and I&EC

I&EC Graduate Student Awards Symposium

MONDAY MORNING SECTION A Seaport Boston Hotel Seaport Ballroom C

Chemistry of Molten Salts Cosponsored by NUCL R. T. Mayes, Organizer, Presiding 8:00 Introductory Remarks. 8:05 I&EC 7. A study of LiAlO2 crystal growth in molten salt. S. Heo, C. Yuh, P. Singh 8:35 I&EC 8. Fluoride molten salt purification and test loops at Oak Ridge National Laboratory. J. McFarlane, E.E. Dominguez-Ontiveros, D.K. Felde, J.R. Keiser, J.R. Massengale, K.R. Robb, A.W. Willoughby, G.L. Yoder 9:05 I&EC 9. Compatibility studies of Ni-base alloys with commercial molten chloride salt. B.A. Pint, S.S. Raiman 9:35 Intermission. 10:05 I&EC 10. Development and application of thermochemical models in molten salt reactors. T.M. Besmann, J.C. Ard, J.W. McMurray 10:55 I&EC 11. Corrosion of Ni-Cr alloys in molten chloride salts. S.S. Raiman, J.W. McMurray

Growing with Project SEED: 50 years and 10,000+ Students Sponsored by PRES, Cosponsored by AGFD, AGRO, ANYL, BIOL, BMGT, CARB, CINF, COLL, ENFL, ENVR, HIST, I&EC, ORGN, PROF and SCHB

Waste to Product: Biological & Physicochemical Resource Recovery & Efficiency Sponsored by ENVR, Cosponsored by AGRO, ENFL and I&EC

MONDAY AFTERNOON SECTION A Seaport Boston Hotel Seaport Ballroom C

Chemistry of Molten Salts Cosponsored by NUCL R. T. Mayes, Organizer, Presiding 1:00 I&EC 12. Radiation chemistry and redox reactions in molten salts. J.F. Wishart, B.H. Layne 1:30 I&EC 13. Reactions of water vapor with molten salts used for reducing uranium oxides. M. Gonzalez, E. Faulkner, S. Adams, M. Simpson 2:20 Intermission. 2:50 I&EC 14. Thermodynamics and corrosion behavior in molten chloride salts. J.W. McMurray, S.S. Raiman 3:20 I&EC 15. DFT and HRTEM studies of LiAlO2 surface structure and shape in molten carbonate. S. Heo, P. Singh 3:50 Concluding Remarks.

Nanomaterials: Applications, Safety Considerations, & Implications for Human Health & the Environment Sponsored by CHAS, Cosponsored by CCS‡ and I&EC

Thermochemical & Biochemical Conversions of Biomass to Biofuels & Biomaterials for Energy & Environmental Applications Thermochemical & Biochemical Processes Sponsored by ENVR, Cosponsored by CATL, CELL, ENFL and I&EC

Seaport Boston Hotel Seaport Ballroom C Cosponsored by PROF M. A. Matthews, P. E. Savage, G. G. Stanley, Organizers, Presiding 8:00 Introductory Remarks. 8:05 I&EC 16. Integrative CO2 capture and hydrogenation to methanol with reusable catalyst and amine: Toward a carbon neutral methanol economy. S. Kar, R. Sen, A. Goeppert, S.G. Prakash 8:25 I&EC 17. Transfer hydrogenation of CO2 from glycerol in flow to generate lactic and formic acid. D. Ainembabazi, J. Heltzel, A. Voutchkova 8:45 I&EC 18. Fast and isothermal hydrothermal liquefaction of model food waste biomolecules and their ternary mixtures. A. Gollakota 9:05 I&EC 19. Towards a generalized techno-economic framework for assessing the viability of electrocatalytic hydrogenation for upgrading biomass-derived intermediates. M. Orella, S.M. Brown, Y. Roman-Leshkov, F. Brushett 9:25 I&EC 20. Atomic layer deposited Pt-Co bimetallic catalysts for selective hydrogenation of α, β-unsaturated aldehydes to unsaturated alcohols. X. Wang, X. Liang 9:45 Intermission. 10:00 I&EC 21. Liquid phase ethylene production by hydrogenation of acetylene using a selective solvent. Part I: Kinetic studies and modeling. H. Shariff, M. Al-Dahhan 10:20 I&EC 22. Oxidative coupling of methane over SrTiO3 perovskite catalysts: Influence of surface composition and catalyst bed packing modes. L. Bai, F. Polo Garzon, H. Tian, Z. Wu 10:40 I&EC 23. Advances in unsupported and supported NiO catalysts for ethane oxidative dehydrogenation. J. Park, K.J. Stowers 11:00 I&EC 24. In silico prediction of racemic imine-based porous organic cage crystal. Y. Liu, G. Zhu, D. Sholl 11:20 I&EC 25. hom*ogeneous solution-processable mixed matrix membranes for molecular separation processes. G. Zhu, C.W. Jones, R.P. Lively 11:40 I&EC 26. Hydrothermal Conversion of Peptides: Reaction Pathways, Kinetics, and Mechanistic Insights. J.D. Sheehan, P.E. Savage

Synthesis & Chemistry of Agrochemicals ACS Industrial Chemistry Award Symposium in honor of George P. Lahm Sponsored by AGRO, Cosponsored by AGFD, ENVR, I&EC‡ and ORGN

Thermochemical & Biochemical Conversions of Biomass to Biofuels & Biomaterials for Energy & Environmental Applications Hydrogen, Biofuels & Biomass Upgrading Sponsored by ENVR, Cosponsored by CATL, CELL, ENFL and I&EC

TUESDAY AFTERNOON SECTION A Seaport Boston Hotel Seaport Ballroom C

I&EC Graduate Student Awards Symposium M. A. Matthews, P. E. Savage, G. G. Stanley, Organizers, Presiding 1:00 I&EC 27. Design principles for non-equilibrium selfassembly. M. Nguyen, S. Vaikuntanathan 1:20 I&EC 28. Ion-sieving carbon nanoshell for rechargeable Zn-based aqueous batteries. Y. Wu

1:40 I&EC 29. Printable nanoparticles and nanowires on flexible and fibrous substrates for scalable manufacturing of wearable electronics and sensors. S. Yan, J. Lombardi, M.D. Poliks, C. Zhong 2:00 I&EC 30. Integrating cell-free systems into industrial metabolic engineering design-build-test cycles. A. Karim, A. Juminaga, Y. Yuan, M. Koepke, M.C. Jewett 2:20 I&EC 31. Aggregation of insulin A-chain fragments from different species. P. Nakka, D. Forciniti 2:40 Intermission. 2:55 I&EC 32. Creating a database to facilitate safer solvent selection. A. Giarrosso, G. Morose 3:15 I&EC 33. Efficient mercury capture using functionalized porous organic polymer. B. Aguila, Q. Sun, J.A. Perman, L. Earl, C.W. Abney, R. Elzein, R. Schlaf, S. Ma 3:35 I&EC 34. Potential impacts to local mineralogy from remediation with ammonia gas. S.A. Di Pietro, H.P. Palmer Emerson, Y. Katsenovich 3:55 I&EC 35. Computation-assisted nanopore detection of thorium ions in aqueous media. G. M Roozbahani, X. Guan, X. Chen, Y. Zhang 4:15 I&EC 36. Phosphonated Poly(ethylene terephthalate) ionomers as compatibilizers in polyester/polyamide blends for packaging applications. L. Ju, T.E. Long, R.B. Moore 4:35 Concluding Remarks.

Synthesis & Chemistry of Agrochemicals Kenneth A. Spencer Award: Symposium in Honor of Thomas M. Stevenson Sponsored by AGRO, Cosponsored by AGFD, ENVR, I&EC‡ and ORGN

Thermochemical & Biochemical Conversions of Biomass to Biofuels & Biomaterials for Energy & Environmental Applications Biochars & Renewable Carbons Sponsored by ENVR, Cosponsored by CATL, CELL, ENFL and I&EC

WEDNESDAY MORNING SECTION A Seaport Boston Hotel Seaport Ballroom C

General Papers Cosponsored by CTA C. W. Abney, R. T. Mayes, Organizers N. J. Williams, Presiding 8:00 Introductory Remarks. 8:05 I&EC 37. Facile manufacturing on energy-efficient devices with excellent flexibility and surface antireflection. F. Ko 8:25 I&EC 38. Evidence of entropic selectivity of xylene isomers in carbon membrane. Y. Ma, R.P. Lively 8:45 I&EC 39. Mechanistic understanding of polymeric excipients for inhibiting active pharmaceutical ingredient (API) nucleation in amorphous solid dispersions. Y. Li, L. Liu, M. Lamm, T.A. Rhodes 9:05 I&EC 40. Mathematical principle of exponential functional rigorous method for calculating the number of theoretical plates in distillation column. H. Xu, Y. Liu 9:25 Intermission. 9:40 I&EC 41. Experimental study on treating and recycling of steel rolling wastewater by constructed wetland enhanced with sulfur autotrophic denitrification. X. Lin, J. Xu, J. Ren 10:00 I&EC 42. Prediction of cellulase activity in ionic liquids using COSMO-RS. J.N. Pedersen, B. Pérez, Z. Guo 10:20 I&EC 43. An optimal design for a full process of dimethyl carbonate synthesis from urea and methanol. F. Wang 10:40 I&EC 44. A robust and rugged FTIR spectrometer designed for industrial chemistry. J. Speed 11:00 I&EC 45. Insight into catalysis of Co-SBA-15 for magnesium sulfite oxidation in magnesia desulfurization process. L. Wang, T. Qi 11:20 I&EC 46. Preparation and laboratory evaluation of novel scale inhibitor nanofluids as delivery vehicles for oilfield mineral scale control. P. Zhang, S. Huang, Z. Li, A.T. Kan, M.B. Tomson 11:40 I&EC 47. CO2 capture by amino acids and regeneration by simple bisiminoguanidine (BIG) crystallization agents. N.J. Williams, F.M. Brethomé, C.A. Seipp, E. Holguin, M. Kidder, R. Custelcean

Synthesis & Chemistry of Agrochemicals Sponsored by AGRO, Cosponsored by AGFD, ENVR, I&EC‡ and ORGN

181

TECHNICAL PROGRAM

3:00 I&EC 5. Digging up data: A journey into operational excellence and continuous improvement in the pharmaceutical industry. D. Birdsall 3:25 I&EC 6. The long road: Navigating industrial diversity and adversity to achieve a dream job. D.P. Uccello 3:50 Concluding Remarks.

TECHNICAL PROGRAM

I&EC/INOR Catalysis for Environmental & Energy Applications Sponsored by ENVR, Cosponsored by CATL, CELL, ENFL and I&EC

WEDNESDAY AFTERNOON Synthesis & Chemistry of Agrochemicals: ACS Industrial Chemistry Award Symposium in honor of George P. Lahm Sponsored by AGRO, Cosponsored by AGFD, ENVR, I&EC‡ and ORGN

WEDNESDAY EVENING SECTION A Boston Convention & Exhibition Center Exhibit Hall B2/C

General Posters C. W. Abney, R. T. Mayes, Organizers 6:00 – 8:00 I&EC 48. A comprehensive study of hydrosilylation reaction inhibitors in silicone based solventless release coatings. Z. Niu, Z. Li, D. Rich, A. Dash, E.A. McQuiston, D. Greg, D. Dingman I&EC 49. Biodiesel production from wet Chlorella sp. and Rhodotorula sp. by direct saponification-esterification conversion. H. Liu I&EC 50. Printed paper sensors for detecting chemical/ biological species. S. Yan, S.E. Ruiz, C.S. Soni, B.L. Perris, C.L. Ghazvini, J. Lombardi, J. Luo, M.D. Poliks, B.S. Hsiao, C. Zhong I&EC 51. Use of dual catalysts synergistically for one-pot synthesis of activated magnetic graphitic carbon spheres. A.C. Dassanayake, M. Jaroniec, A.A. Goncalves I&EC 52. Study on the separation of methane and hydrogen by ZIF-8/glycol-water systems. C. Jia, Z. Qiao, B. Liu, G. Chen I&EC 53. Developing of End-of-Life Treatment Scenarios using Material Flow Analysis and Life-Cycle Assessment Approaches for Petroleum Refinery Waste Management. N. Urairat, N. Arp*rnpong, S. Khaodhiar, A. Charoensaeng I&EC 54. Separation of the gas mixture using the porous slurry. L. Hai, M. Yang, B. Liu, G. Chen I&EC 55. Porous liquids: Application in gas separation and storage. J.A. Schott, S.M. Mahurin, S. Dai I&EC 56. Removal of CO2 using amino acids and bisiminoguanidine (BIG) ligands. E. Holguin, F.M. Brethomé, N.J. Williams, C.A. Seipp, M. Kidder, R. Custelcean I&EC 57. The absorption rate improvement of carbon dioxide through a gas-liquid membrane contactor with spiral wire channel. C. Ho, G. Lin, Y. Chen I&EC 58. The study of cerium/graphene oxide composite modified prussian blue sensor for hydroxyl radical detection. S. Duanghathaip*rnsuk I&EC 59. Rhodium-catalyzed hydroformylation of vinyl acetate: Effect of phosphine ligands on regioselectivity. X. Xu, H. Feng, S. Zhao, M. Zhang, D. Liu, J. Jiang I&EC 60. Optimization of LNG cascade process. N. Saetang, U. Suriyapraphadilok, M.J. Bagajewicz

SUNDAY MORNING SECTION A Boston Convention & Exhibition Center Room 252A

Undergraduate Chemistry Majors Inorganic Symposium A. J. Morris, Organizer, Presiding 8:30 Introductory Remarks. 8:35 INOR 1. Women in nanotechnology. A. De Bettencourt Dias 8:50 INOR 2. Water splitting & solar fuels: Progress & challenges to widespread utilization. K. Bren 9:05 INOR 3. The Halpern legacy: Mechanism, catalysis & organotransition metal chemistry. A.S. Goldman 9:20 INOR 4. Recent advances in the photochemistry & photophysics of the P-block elements. T. Hudnall 9:35 INOR 5. Pathways for industrial chemists symposium. L.M. Berreau 9:50 INOR 6. Organometallics distinguished author symposium. P.J. Chirik 10:05 INOR 7. Inorganic Young Investigator Awards. B.T. Donovan-Merkert 10:20 INOR 8. Inorganic Nanoscience Award Symposium. B. Cossairt 10:35 INOR 9. Inorganic Chemistry Lectureship: Symposium in Honor of Leroy Cronin. W.B. Tolman 10:50 Intermission. 11:05 INOR 10. Graduate School Information Session. A.J. Morris

SECTION B Boston Convention & Exhibition Center Room 251

Recent Advances in Red & Black Phosphorus Chemistry Financially supported by HORIBA Scientific H. Ji, Organizer, Presiding M. Shatruk, Presiding 8:30 Introductory Remarks. 8:35 INOR 11. Unusual allotropes of low-dimensional semiconductors beyond graphene. D. Tomanek 9:05 INOR 12. Rational surface modification of twodimensional black phosphorus: Insights from first-principles calculations. T. Mou, B. Wang 9:35 INOR 13. Suspended black phosphorous nanostructures: From fundamentals to device technologies. P. Feng 10:05 Intermission. 10:20 INOR 14. Red phosphorous as an educt in near-roomtemperature synthesis reactions in ionic liquids: Reaction monitoring by NMR spectroscopy. E.W. Brunner, J. Pallmann, A. Weiz, A. Wolff, M. Groh, S. Paasch, T. Doert, M. Ruck 10:50 INOR 15. Size-dependent properties of polyphosphide nanowires. C. Pak, S. Mañas, E. Coronado, M. Shatruk 11:20 INOR 16. Efficient and fast synthesis of few-layer black phosphorus via microwave-assisted liquid-phase exfoliation. J. Shapter

SECTION C

INOR

Division of Inorganic Chemistry N. Radu and S. Koch, Program Chairs OTHER SYMPOSIA OF INTEREST: Organometallics Distinguished Author Award (see ORGN, Mon) Chemistry of Materials Lectureship & Best Paper Award (see PMSE, Mon) Innovation & Commercialization in the Chemical Sector (see SCHB, Mon) 2018 ACS Catalysis Lectureship for the Advancement of Catalytic Science: Symposium in honor of Nicholas Turner (see CATL, Mon)

182

Boston Convention & Exhibition Center Room 213

Organometallic Chemistry: Catalysis N. S. Radu, Organizer L. Geary, M. D. Wodrich, Presiding 8:30 INOR 17. One-pot production of methanol from CO2 via tandem catalysis employing an encapsulated catalyst@ MOF species. T. Rayder, Z. Li, E. Adillon, J.A. Byers, C. Tsung 8:50 INOR 18. Identifying highly active and regioselective hom*ogeneous catalysts from molecular volcano plots. M.D. Wodrich, C. Corminboeuf 9:10 INOR 19. Mechanistic studies of single-step styrene production catalyzed by Rh complexes with diimine ligands: A reevaluation of the role of ligands. W. Zhu, J. Chen, Z. Luo, X. Jia, T. Gunnoe 9:30 INOR 20. Oxidative arene alkenylation catalyzed by palladium(II) catalyst: Studies on selectivity and air recyclability. X. Jia, A. Foley, B.A. Vaughan, B.A. McKeown, T.B. Gunnoe 9:50 INOR 21. Studies into the mechanism of alkene insertion and isomerization in cobalt-catalyzed hydroboration: Applications toward diastereoselective synthesis of 1,3-disubstituted indanes. N.G. Leonard, P.J. Chirik

10:10 INOR 22. Applications and mechanisms of external Lewis and Bronsted acid additives in organotransition metal chemistry. J. Becica, G. Dobereiner 10:30 INOR 23. Catalysis enabled by arsine and amine N-oxides and oxygen atom transfer. L. Geary 10:50 INOR 24. Preference of redox neutral over redox mechanism for titanium (IV) catalysis: The how, why, and implications. Z. Wang 11:10 INOR 25. Transition metal complexes supported by pyrrolide and imidazoline ligands with pyridine donors. J. Sampson, G. Choi, M. Akhtar, E. Jaseer, R. Theravalappil, H.A. Al-Muallem, T. Agapie 11:30 INOR 26. Pyridine(diimine) molybdenum complexes and their applications to ethylene upconversion and catalytic arene and olefin hydrogenation. M.V. Joannou, M.J. Bezdek, P.J. Chirik 11:50 INOR 27. Catalytic asymmetric P-C bond formation via chiral Cu(I)- and Ni(II)-phosphido complexes. S.K. Gibbons, D.S. Glueck, A.L. Rheingold 12:10 INOR 28. Olefin and alkyne hydrosilation catalyzed by cationic iron complexes. P. Smith, T. Tilley

SECTION D Boston Convention & Exhibition Center Room 212

Inorganic Catalysts S. A. Koch, Organizer S. M. Kilyanek, Presiding 8:30 INOR 29. Computational study of a self-activate PSbPPt catalyzed 1,6-enyne cycloisomerization: The role of a novel pincer ligand. L. Dang 8:50 INOR 30. Catalytic activation of sp3 C-H bonds by high-spin and spin-crossover Co(II) complexes. A. Bell-Taylor, C.R. Goldsmith 9:10 INOR 31. Continuous flow synthesis of carbide nanoparticle catalysts for renewable fuels. E.J. Roberts, L. Wang, F. Baddour, D. Ruddy, S. Habas, N. Malmstadt, R.L. Brutchey 9:30 INOR 32. Non-oxo complexes as oxygen transfer agents for oxidation of olefins: A computational study. R. Parveen, T.R. Cundari 9:50 INOR 33. Total oxidation of 2-propanol by mesoporous cobalt oxide catalysts. S.L. Dissanayake, N.D. Wasalathanthri, A.S. Amin, J. He, S. Poges, S.L. Suib 10:10 Intermission. 10:25 INOR 34. Activation of C-H and C-O bonds by the TaCl5-PPh3 cooperative Lewis pair. M.M. Rahman, D.V. Peryshkov, M.D. Smith 10:45 INOR 35. Electrochemical hydrogen evolution catalyzed by molecular molybdenum dioxo complexes. S.M. Kilyanek 11:05 INOR 36. DFT study of hydroaminoalkylation of alkenes with amidate tantalum complexes. A. Nazemi, T.R. Cundari 11:25 INOR 37. Direct anti-Markovnikov addition of water to olefin to synthesize primary alcohol: A DFT study. Y.S. Ceylan, T.R. Cundari

SECTION E Boston Convention & Exhibition Center Room 211

Coordination Chemistry: Synthesis & Characterization A. Larsen, Organizer L. H. Doerrer, D. M. Pinero Cruz, Presiding 8:30 INOR 38. Terminal oxo, hydroxo, and water ligands in 3d perfluoropinacolate complexes. J.K. Elinburg, S.L. Carter, J.E. Henebry, L.H. Doerrer 8:50 INOR 39. CO2 activation with a binuclear nickel (0) bis(N-heterocyclic silylene) complex. A. Bartrom, H. Harman 9:10 INOR 40. Bimetallic Mabiq complexes for photocatalysis using earth abundant metals. S. Stark 9:30 INOR 41. Synthesis of cyclic polyoxovanadate-alkoxide clusters containing halide templates. R. Meyer, E. Maston 9:50 INOR 42. Heterometallic complexes with the polyfunctional ligand orotate: Products with different nuclearities and dimensionalities from the Ln/Co/orotate system. L.R. Falvello, S. Royo, M. Tomas 10:10 Intermission. 10:20 INOR 43. Mono and di-nuclear complexes from salen based-ligands as building blocks for new polynuclear complexes. D.M. Pinero Cruz, K. Gutierrez, S. Lin, Z. Chen 10:40 INOR 44. Accessibility of 2-pyridinecarboxaldehyde n-oxide via oxidation of 2-pyridinecarboxaldehyde diacetal. K.A. Goerl, P. Baran

SECTION F Boston Convention & Exhibition Center Room 209

Chemistry of Materials: Materials for Energy & Catalytic Applications C. G. Lugmair, Organizer E. M. Matson, G. Sauve, Presiding 8:50 INOR 48. Polyoxovanadate-alkoxide clusters as hom*ogenous models for the investigation of oxygen-atom vacancies in reducible metal oxides. B. Petel, E.M. Matson 9:10 INOR 49. Synthesis and characterization of a layered Fe(III)/Mn(III) sulfate material: Applications for lithiumion battery cathodes and OER catalysis. K. Fridberg, M.P. Marshak 9:30 INOR 50. Tailoring chemical composition to achieve enhanced methanol oxidation reaction and ethanol oxidation reaction performance in ultrathin PtxSn1-x alloy systems. L. Li, H. Liu, C. Qin, Z. Liang, A. Scida, S. Yue, X. Tong, R.R. Adzic, S.S. Wong 9:50 INOR 51. Engineering the position of transition metal dopant in solid hosts for enhanced photocatalytic properties. P. Darapaneni, N. Moura, J.A. Dorman 10:10 INOR 52. Self-assembled, metal-oxide clusters as charge carriers for non-aqueous redox flow batteries. E.M. Matson, L.E. VanGelder, B. Petel 10:30 INOR 53. Mechanism of laser-induced bulk and surface defect generation in ZnO and TiO2 nanoparticles: Effect on photoelectrochemical performance. A.M. Mueller 11:10 INOR 54. Fluorination increases the electron mobility of zinc azadipyrromethene-based electron acceptors and enhances performance of organic solar cells. S. Peji, A.M. Thomsen, F.S. Etheridge, R. Fernando, C. Wang, G. Sauve 11:30 INOR 55. Water splitting electrocatalysis within zirconium phosphate layered inorganic nanomaterials. J.L. Colon, M. Ramos-Garces, J. Sanchez, I. Barraza, Y. Wu, D.E. Del Toro, D. Villagran, T.F. Jaramillo 11:50 INOR 56. Metalloconjugated polymer-carbon nanotube hybrids and their photophysical properties. W. Chan, W. Xiong, L. Du, H. Shi, K. Lo, D. Phillips

SECTION G Boston Convention & Exhibition Center Room 208

Bioinorganic Chemistry: DNA, RNA & Inorganic Drugs S. A. Koch, Organizer J. P. Caradonna, Presiding 8:30 INOR 57. Disulfide-masked iron prochelators: Antiproliferative activity in breast cancer cells. R.D. Utterback, E.A. Akam, E. Tomat 8:50 INOR 58. Platinum complexes as potential anticancer agents. R. Khan, A.M. Alsalme 9:10 INOR 59. Design and synthesis of potent catalytic inorganic therapeutic agents for cancer. J. Song, J. Mi, B. Liang, D.P. Jones, S. Nie, C.L. Hill 9:30 INOR 60. Rhenium as an alternative to platinum for the treatment of cancer. J.J. Wilson, S.C. Marker, C.C. Konkankit, K.M. Knopf 9:50 INOR 61. Ferrocene based thioureas as non-covalent DNA binders, synthesis, crystal structure, spectral and electrochemical characterization. B. Lal, K.H. Mirani, A. Altaf, A. Badshah 10:10 Intermission. 10:20 INOR 62. Spectroscopic and electrochemical studies of interaction between deoxyribonucleic acid and copper complex of triazolediamin Schiff’s base. A. Altaf, A. Badshah, N. Sahar 10:40 INOR 63. Modeling the binding interaction of inorganic drugs with DNA and G-quadruplexes. H. Gattuso, A. Spinello, G. Barone, M. Fumanal, C. Daniel, A. Monari 11:00 INOR 64. Highly photoreactive Ir(III) complexes for theranostic applications. R. Bevernaegie, L. Marcelis, B. Laramee-Milette, J. De Winter, A. Diman, A. Decottignies, P. Gerbaux, G. Hanan, B. Elias 11:20 INOR 65. Leveraging the galactose recognition machinery for targeted hepatic copper delivery. T.A. Su, C.J. Chang

11:40 INOR 66. Targeted live-cell nuclear delivery of the DNA ‘light-switching’ Ru(ii) complex via ion-pairing with chlorophenolate counter-anions: the critical role of binding stability and lipophilicity of the ion-paring complexes. B. Zhu

Synthesis & Characterization of Nanomaterials for Sustainable Energy Sponsored by MPPG, Cosponsored by INOR

Chemical Applications of Ultrafast X-ray/XUV Spectroscopy & Scattering Small-Molecule Photophysics Sponsored by PHYS, Cosponsored by INOR

SUNDAY AFTERNOON SECTION A Boston Convention & Exhibition Center Room 252A

Inorganic Young Investigator Awards B. T. Donovan-Merkert, Organizer, Presiding 1:30 Introductory Remarks. 1:35 INOR 67. Trapping an iron(VI) water-splitting intermediate in nonaqueous media. B.M. Hunter, N.B. Thompson, A.M. Mueller, G.R. Rossman, M.G. Hill, J.R. Winkler, H.B. Gray 2:00 INOR 68. Electron- and ion-conducting metal-organic frameworks. S. Park, M. Dinca 2:25 INOR 69. Micro/nanorobotics: From locomotion to biomedical applications. J. Li, J. Wang 2:50 INOR 70. High-spin iron complexes for C–H amination: from electronic structure to catalysis. D. Iovan, T. Betley 3:15 Intermission. 3:25 INOR 71. Rational design of silicon structures for multiscale biointerfaces. Y. Jiang, B. Tian 3:50 INOR 72. Tuning the properties of transition metal complexes for applications involving redox-flow battery technologies and bioconjugation strategies. J. Stauber 4:15 INOR 73. Structural and electronic correlations in halide perovskites under pressure. A. Jaffe, Y. Lin, W.L. Mao, H. Karunadasa 4:40 INOR 74. Combinatorial synthesis of multimetallic heterostructured nanoparticles in polymer nanoreactors. P. Chen, C.A. Mirkin

SECTION B Boston Convention & Exhibition Center Room 251

Recent Advances in Red & Black Phosphorus Chemistry Financially supported by HORIBA Scientific H. Ji, Organizer, Presiding M. Shatruk, Presiding 1:30 INOR 75. Chiral 3D structures of black phosphorus. A. Tlahuice-Flores 2:00 INOR 76. Oxidative environment derived surface study on black phosphorus. D. Zemlyanov, W. Luo, C. Milligan, Y. Du, L. Yang, Y. Wu, P. Ye 2:30 INOR 77. Recent progress on stability and passivation of black phosphorus. Y. Abate 3:00 INOR 78. Degradation mechanism and protection strategies of few-layer black phosphorus. J. Wang 3:30 Intermission. 3:45 INOR 79. Integer and fractional quantum Hall effect in various few-layer black phosphorus transistors. R. Chen, S. Tran, J. Yang, T. Taniguchi, K. Watanabe, H. Baek, D. Smirnov, C. Lau 4:15 INOR 80. Towards strain tunable optoelectronic devices. P. Gant, R. Frisenda, A. Castellanos-Gomez 4:45 INOR 81. Horiba’s new Raman on nanomaterials. J. Lowry 5:15 INOR 82. 2D red phosphorus film. H. Ji

SECTION C Boston Convention & Exhibition Center Room 213

Organometallics Distinguished Author Symposium P. J. Chirik, Organizer, Presiding 1:30 Introductory Remarks. 1:35 INOR 83. Mechanisms of nickel-catalyzed crosselectrophile coupling reactions. D.J. Weix 2:10 INOR 84. New radical-mediated anti-Markovnikov selective alkene functionalizations. V.A. Schmidt 2:45 Intermission.

3:00 INOR 85. Exploiting the coordination non-innocence of antimony ligands to control the reactivity of transition metals. F.P. Gabbai 3:35 INOR 86. Catalysis at metal-metal bonds. C. Uyeda

SECTION D Boston Convention & Exhibition Center Room 212

Organometallic Chemistry: Applications to Materials & Polymer Science N. S. Radu, Organizer J. R. Robinson, Presiding 1:30 INOR 87. Flexible site-differentiated beta-diketiminate frameworks and their catalytic activity in ring-opening polymerization (ROP). J.R. Robinson, X. Dong, E.M. Tsotsos 1:50 INOR 88. Advances in carbene migratory insertion directed toward transition-metal catalyzed polymer synthesis. A.V. Zhukhovitskiy 2:10 INOR 89. Metathesis of conjugated polyunsaturated materials. G. Turczel, E. Csizmadia, E. Kovács, I. Tóth, P.T. Anastas, R. Tuba 2:30 INOR 90. Mechanistic studies into iron-catalyzed epoxide polymerization reactions. K.R. Delle Chiaie, M. Qi, J.A. Byers 2:50 INOR 91. Subensemble characterization of molecular polymerization catalyst activity through fluorescence microscopy. Q. Easter, S. Blum 3:10 INOR 92. New catalyst for alkene hydrosilylation reactions and crosslinking of silicones. M. Puillet, V. Monteil, J. Raynaud, M. Bousquie 3:30 INOR 93. Group VI metal alkylidene N-heterocyclic carbene complexes: Access to highly tactic and regioregular functional polymers. M. Benedikter, C. Lienert, G. Frater, M. Buchmeiser 3:50 INOR 94. Titanium amino-phenolate complexes in controlled methacrylate polymerization. D. Coward, B. Lake, R. Poli, M.P. Shaver 4:10 INOR 95. Deactivation of Z-selective olefin metathesis catalyst via 1,2-sulfide shift. J. Lin, T.P. Montgomery, T. Ahmed, R.H. Grubbs, K.N. Houk 4:30 INOR 96. Approaches to polymers derived from bispincer complexes. C. Yu, O. Ozerov

SECTION E Boston Convention & Exhibition Center Room 211

Electrochemistry N. S. Radu, Organizer C. J. Ziegler, Presiding 1:30 INOR 97. E-switchable ring-opening polymerization of lactide and an epoxide. M. Qi, Q. Dong, D. Wang, J.A. Byers 1:50 INOR 98. Electrodeposition of neodymium using room temperature ionic liquids. P. Bagri, H. Luo, J. Dehaudt, S. Dai 2:10 INOR 99. Directed electrochemical nanowire assembly (DENA): A facile individual nanowire growth method for sensor applications. B. Ozturk, S. Alotaibi, I. Unlu, G. Basnet, B. Flanders, S. Pokharel, A. Lisfi, A. Guver, J. Samba 2:30 INOR 100. Development of potential pulse deposition (PPD) of CdTe and its application on Au nanorods. X. Zhang 2:50 INOR 101. Electrochemical reduction of phosphorus(V) with triaryl borate Lewis acids. J.S. Elias, C. Cyrille, D.G. Nocera 3:10 INOR 102. Enhancing the utilization of fluorinated cross-linked polymers for corrosion protection. W. Yaseen 3:30 INOR 103. New ferrocene reagents for redox flow battery applications. B.R. Schrage, Z. Zhao, J.A. Bonezzi, A. Boika, C.J. Ziegler 3:50 INOR 104. Achieving selective CO electroreduction to fuels by understanding the role of proton transfer. M. Schreier, Y. Surendranath

SECTION F Boston Convention & Exhibition Center Room 209

Coordination Chemistry: Synthesis & Characterization A. Larsen, Organizer G. Mezei, C. Milsmann, Presiding 1:30 INOR 105. Developing design principles for early transition metal photosensitizers. C. Milsmann, Y. Zhang, A. Gowda, D. Leary 1:50 INOR 106. Mn-Ce clusters from reductive aggregation: Unusual long-range Mn---Mn exchange-coupling through CeIV. S. Das Gupta, K.A. Abboud, G. Christou 2:10 INOR 107. Covalent modification of molybdenum-blue polyoxomolybdates with amino acids. W. Xuan, D. Long, L. Cronin

183

TECHNICAL PROGRAM

10:40 INOR 45. Structural resolutions of magic-size (CdSe)13 twin clusters. T. Hsieh, T. Yang, C. Hsieh, S. Huang, Y. Yeh, C. Chen, E. Li, Y. Liu 11:00 INOR 46. Adventures in the coordination chemistry of heteroaromatic ketone hydrazonic compounds. M.A. Bakir 11:20 INOR 47. Non-coupled bimetallic complexes supported by unsymmetric redox-active ligands. C. Hess

TECHNICAL PROGRAM

INOR 2:30 INOR 108. Spin polarization of spin-triplet transition metal complexes. M. Fataftah, B.T. Phelan, M.D. Krzyaniak, M.R. Wasielewski, D.E. Freedman 2:50 INOR 109. Synthesis, x-ray crystallography, spectroscopic and cytotoxicity studies of higher coordinate Gold(I) phosphine complexes. Z. Assefa, K. Brown, M. Kanipes-Spinks, C. Roroe 3:10 Intermission. 3:20 INOR 110. Postsynthetic nanojar functionalization by pyrazolate/carboxylate and pyrazolate/pyrazolate ligand exchange. G. Mezei, C.K. Hartman 3:40 INOR 111. Reactivity of 2-electron reduced formazanate boron compounds with electrophiles: Facile N-H/N-C bond hom*olysis due to formation of stable ligand radicals. R. Mondol, E. Otten 4:00 INOR 112. Excited state delocalization in polynuclear Ru(II) multiterpyridine complexes. S. Cerfontaine, L. Marcélis, B. Laramee-Milette, G. Hanan, F. Loiseau, J. De Winter, P. Gerbaux, B. Elias 4:20 INOR 113. Towards organometallic nanoclusters: Ketimide-stabilized low-valent transition metal clusters. A.W. Cook, P. Damon, R.A. Lewis, T.W. Hayton 4:40 INOR 114. Using mono- and bimetallic pyridine diimine scaffolds to study transient reactive intermediates. D. Gygi, S. Hwang, K. Xia, D.G. Nocera

SECTION G Boston Convention & Exhibition Center Room 208

Chemistry of Materials: Metal Organic Frameworks C. G. Lugmair, Organizer T. Gadzikwa, L. Wang, Presiding 1:30 INOR 115. Utilizing MOFs to improve the efficiency and capabilities of catalytic converters. R. Tovar, P. Farias, Y. Liu 1:50 INOR 116. Growth of UiO-66-NH2 and Cu-TCPP metal– organic frameworks on metal oxide-coated polymer fibers for catalytic hydrolysis of chemical warfare agent simulants and toxic gas adsorption. D. Lee, J. Zhao, H. Barton, J. Jamir, C.J. Oldham, G. Peterson, G. Parsons 2:10 INOR 117. Heterogeneous scorpionate site in MOF: Small molecule binding and activation. L. Wang 2:30 INOR 118. Aperture-opening encapsulation of a transition metal catalyst in a metal-organic framework for CO2 hydrogenation. Z. Li, T.M. Rayder, E. Adillon, J.A. Byers, C. Tsung 2:50 INOR 119. Supramolecular photocatalysis within confined environment of metal-organic framework. C. Duan, T. Zhang 3:10 INOR 120. One-pot nanoparticle encapsulation by use of crystalline capping agent UiO-66-NH2 and their application in selective catalysis. A.P. Young, J. Yang, L. Chou, M. Golden, C. Tsung 3:30 Intermission. 3:45 INOR 121. Tackling unusual selectivity of photocatalytic trifluoromethylation for protection of metabolic sites of drugs by enzyme-mimicking dye-based metal-organic frameworks. T. Zhang, C. Duan 4:05 INOR 122. Developing commercial products that utilize metal-organic frameworks: Challenges, lessons learned, and future opportunities. W. Morris, O.K. Farha, M. Weston, P. Siu, J. Arno 4:45 INOR 123. Uniformly bifunctional metal-organic framework materials. T. Gadzikwa, C.S. Satterfield, K.P. Samarakoon 5:05 INOR 124. Near IR excited fluorescent Nd-MOF conquering concentration quenching problem. J. Li, Y. Gu, H. Zhou

Synthesis & Characterization of Nanomaterials for Sustainable Energy Sponsored by MPPG, Cosponsored by INOR

Chemical Applications of Ultrafast X-ray/XUV Spectroscopy & Scattering Biological Applications

INOR 125. Exploring the photochemistry of diamido and related electrophilic carbenes. B. Gildner, T.A. Perera, T. Hudnall INOR 126. Doublet emitters derived from stable carbenes for potential OLED applications. G. Harmon, C. Barragan, R.N. Arias, T. Hudnall INOR 127. Solvent effects on the polarization transfer between a photo-excited spin-polarized radical pair and a TEMPO radical. C.E. Avalos, G. Stevenato, S. Richert, G. Karthikeyan, O. Ouari, C.R. Timmel, L. Emsley INOR 128. N,N-diaryl dihydrophenazine photoredox catalysts: Applications in efficient ring-opening atom transfer radical polymerization. D. Chen, G. Miyake INOR 129. Ladderization of π-conjugated molecules facilitated by boron-nitrogen coordinative bonds. A. Mu, L. Fang INOR 130. Environment-sensitive azepane-substituted β-diketones and difluoroboron complexes with restricted C-C bond rotation. F. Wang, D. Song, C.L. Fraser

SECTION B Boston Convention & Exhibition Center Exhibit Hall B2/C

Solid-State Inorganic Chemistry C. Lugmair, V. Poltavets, Organizers 5:30 – 7:30 INOR 131. Strong enhancement of emission efficiency in GaN light-emitting diodes by plasmon-coupled light amplification of graphene. S. Hwang INOR 132. Ultrafast logic computation using nanostructured Ge–Sb–Te phase-change memory materials. D. Loke, J. Skelton, W. Wang, T. Lee, R. Zhao, T. Chong, S. Elliott INOR 133. Visible absorbance variation in Dion-Jacobson perovskites upon acid exchange. R. Bittues, L. Smith INOR 134. Synthesis and thermoluminescence characterization of copper and silver co-doped lithium tetraborate phosphors. G.M. Celik, N. Yazici, A. Yilmaz INOR 135. Strong luminescence in lanthanide-free magnesium nitride chloride with the layered structure. E. Kim, H. Kang, H. Yang, S. Yoon, W. Chae, N.H. Hur INOR 136. Rapid synthetic strategy for Cu2O hexapod synthesis. Y. Zubarev, L. Smith INOR 137. Photodynamic therapy metal organic frameworks (PDT-MOFs). N. Azbill, R.W. Larsen INOR 138. Structure and band gap analysis for new DionJacobson perovskite RbBiKNb3O10. W. Nason, L. Smith INOR 139. Doping toward unconventional superconducting states in the layered Mott insulator Sr2F2Fe2OS2. K. Bayliff, C. Huang, E. Morosan INOR 140. Three-dimensional maps of helium nanobubbles in a palladium alloy. N.R. Catarineu, D.B. Robinson, N.C. Bartelt, W.L. York, S. Vitale, J.D. Sugar, E.L. Bouknight, K.L. Shanahan

SECTION C Boston Convention & Exhibition Center Exhibit Hall B2/C

Organometallic Chemistry: New Ligand Platforms N. S. Radu, Organizer 5:30 – 7:30 INOR 141. Investigation on proton coupled electron transfer of hetero-flavonol. X. Han INOR 142. Structural consequences of adding electrons to boron-doped nanographene. Z. Zhou, X. Wang, Z. Wei, K. Muellen, M.A. Petrukhina INOR 143. Selective sensing of citrate with a macrocyclebased dinuclear receptor. M.H. Hasan, M. Rhaman, A. Alamgir, R. Tandon, A. Hossain INOR 144. Mechanosynthesis of bis(imino)pyridine ligands and related compounds. T.E. Shaw, L. Garayeva, L. Shultz, T. Jurca

SECTION D Boston Convention & Exhibition Center Exhibit Hall B2/C

Sponsored by PHYS, Cosponsored by INOR

Main Group Chemistry

SUNDAY EVENING

T. Hudnall, Organizer 5:30 – 7:30 INOR 145. Around the periodic table at 600 RPM: Mechanochemical synthesis of organometallic species. R.F. Koby, T.P. Hanusa INOR 146. Synthesis and reactivity of amino-hydroborane frustrated Lewis pairs. E. Rochette, F.G. Fontaine INOR 147. Group 13 complexes of nitroxide ligands: Novel redox-active complexes of Al, Ga, and In. M. Smith, A.J. Woodside, A. Clark, C.R. Graves

SECTION A Boston Convention & Exhibition Center Exhibit Hall B2/C

Recent Advances in the Photochemistry & Photophysics of the P-Block Elements T. Hudnall, F. Jaekle, Organizers 5:30 – 7:30

184

INOR 148. First stable Cu(III) N-heterocyclic carbene accessible from simple copper(II) acetate. S. Holzl, M.R. Anneser, F.E. Kuehn INOR 149. A bench stable Cu(III) N-heterocyclic carbene accessible from simple copper(II) acetate. S. Holzl, S. Inoue, F.E. Kuehn INOR 150. Preparation and chemistry of 1,3,2-diazaborolederived carbene complexes of boron. K. Luedecke, H. Hickox, Y. Wang, G.H. Robinson INOR 151. Higher molecular weight cyclic chlorophosphazenes. C. Salmon, C. Tessier, S. Crabtree INOR 152. Synthesis and characterization of iodododecaborates with hydroxyl substituents. Z. Lincoln, J.A. Dopke, R.J. Staples INOR 153. Greener methods of P-N bond synthesis. S. Crabtree, M.L. Stromyer, C. Tessier INOR 154. Green, facile method for the synthesis of phosphine sulfides and selenides. D. Vang, A.B. Olichwier, J.K. West INOR 155. Primary phosphines: New synthetic methods and new targets. B.A. Palen, E. Landgreen, J.K. West INOR 156. Computational evaluation of substituent effects on the predicted air-sensitivity of aryl primary phosphines. E. Landgreen, B.A. Palen, J.K. West

SECTION E Boston Convention & Exhibition Center Exhibit Hall B2/C

Lanthanide & Actinide Chemistry A. De Bettencourt Dias, Organizer 5:30 – 7:30 INOR 157. Synthesis of mixed-ligand lanthanide-based organometallic magnets. J. Greenough, Z. Zhou, Z. Wei, R. Clerac, M.A. Petrukhina INOR 158. Photophysical characterization of a highly luminescent divalent-lanthanide-containing azacryptate. T.C. Jenks, M. Bailey, P.D. Martin, H.B. Schlegel, M.J. Allen, F.A. Rabuffetti, B.A. Corbin, A.N. Kuda-Wedagedara INOR 159. Green synthesis of ultrathin CeO2-doped FeOOHCo(CO3)OH/rGO nanohybrids for oxygen evolution reaction. X. Zhang INOR 160. Energy transfer mechanism in Y2O3 nanoparticles doped with europium and terbium ions. S. Sadyk, T.S. Atabaev INOR 161. Rare earth oxides and rare earth nitrides via vapor phase approaches using tailored metalorganic precursors. H. Parala, K. Xu, S. Cwik, A. Devi INOR 162. High-nulcearity Ni-Ln (Ln = lanthanide) heterometallic clusters – Synthesis and magnetic studies. M. Fairley, L. Qin, Y. Zheng, Z. Zheng INOR 163. Effects of pyridinium counter-ions on the structure and properties of novel UCl62- compounds. S. Han, J.N. Wacker, K.E. Knope INOR 164. Force field parameters for modeling the soft crystals of lanthanides (Nd, Eu, Gd, Tb, and Ho) complexes. N. Nakayama, S. Obata, H. Gotoh, M. Hasegawa

SECTION F Boston Convention & Exhibition Center Exhibit Hall B2/C

Inorganic Catalysts S. A. Koch, Organizer 5:30 – 7:30 INOR 165. Gel-like cooperated with freeze-drying strategy to construct hierarchically porous polyoxometalate-based metalorganic framework catalysts. S. Liu, X. Li INOR 166. Bioinspired manganese complexes with tetradentate pyridine-appended biperidine ligands catalyze olefin epoxidation. F. Zhu, G. Yang, A. Zoll, S. Thompson, J. Jackson, P. Milne, E.V. Rybak-Akimova INOR 167. Heterogeneous nanocrystalline metal oxide catalysts for aldol condensations derived from pyruvic acid oxime and oxalate precursors. A.A. Alayyaf INOR 168. Mixed-valence {V16} clusters based hybrid material as a nanocatalyst for highly efficient olefin epoxidation in the air. S. Liu, S. Wang, Z. Zhang INOR 169. A kinetic isotope effect study on a bifunctional nickel based catalyst for the CO2 reduction and hydrogen evolution reactions. J. Nganga INOR 170. Synthesis of mesoporous MgO for Knoevenagel and Claisen-Schmidt condensation reactions. D. Dissanayake, D. Rathnayake, S.L. Suib INOR 171. Highly efficient cobalt catalyzed hydroboration of alkenes and carbonyl compounds. D. Bedi, M. Findlater, S.R. Tamang, S. Haghighi

SECTION G Boston Convention & Exhibition Center Exhibit Hall B2/C

Bioinorganic Chemistry: DNA, RNA & Inorganic Drugs S. A. Koch, Organizer 5:30 – 7:30 INOR 183. Design of deferasirox peptide-conjugated ligands for a selective delivery of anticancer Ti(IV) compounds. L.V. Fernandez, A.D. Tinoco, M. Pandrala INOR 184. Transition metals coordination and biological investigations of alpha-pyridoin-benzylhydrazide derivatives. D.A. Alwaheeb INOR 185. Asymmetric cobaltocenium derivatives for mediated electrochemical biocatalysis. J. Najjar, C. McCully, A.K. Udit INOR 186. Fluconazole needs copper or iron to generate reactive oxygen species and damage DNA. A.A. Gaertner, L. Kozubowski, J.L. Brumaghim INOR 187. Development of prostate cancer targeted prodrugs based on the copper chelator disulfiram. A. Dharani, S. Bakthavatsalam, K.J. Franz INOR 188. Synthesis and reactivity of gold (I) tetrathiomolybdate complexes. D. Humaidy, G.S. Garusinghe, A.E. Bruce, M.R. Bruce INOR 189. Bifunctional ligands of Ac-225 for potential applications in antibody-targeted alpha radiotherapy of cancer. S. Ren, C. Kang, X. Sun, H. Song, Y. Liu, Y. Chen, H.S. Chong INOR 190. Nanomedicine for trans-epithelial oral delivery of Ivermectin for Zika. B. Surnar, S. Dhar INOR 191. Tuning the excited state properties of tridentate ruthenium(II) complexes for use in photodynamic therapy by employing N-heterocyclic carbenes. R. Ryan, K.C. Stevens, D.K. Heidary, E.C. Glazer, J.P. Selegue

MONDAY MORNING SECTION A Boston Convention & Exhibition Center Room 252A

Inorganic Chemistry Lectureship: Symposium in honor of Leroy Cronin W. B. Tolman, Organizer, Presiding

8:30 INOR 192. Nanoscaled inorganic clusters and inorganic-organic hybrid macromolecules - ideal models for solution physical chemistry. T. Liu 8:55 INOR 193. Polyoxometalates and beyond: Lessons learned from working with Lee Cronin. C. Streb 9:20 INOR 194. Phosphine, arsine and related metalorganic frameworks: Unique catalyst support materials. S.M. Humphrey, S.G. Dunning, R.E. Sikma, J.E. Reynolds, R. Riparetti, W. Chai, G. Henkelman 9:45 Intermission. 9:55 INOR 195. Polyoxometalates: From artificial enzymes to protein based supramolecular hybrid materials. T.N. Parac-Vogt, H.T. Ly, L. Vandebroek 10:20 INOR 196. Water oxidation with cobalt compounds: A quest for essentials. G.R. Patzke, F. Song, S. Luber, J. Li 10:45 INOR 197. Inorganic metal-oxo clusters: Breaking down the metal-ligand wall. M.D. Nyman 11:10 INOR 198. Exploring the self-assembly of molecular metal oxide nanoclusters. L. Cronin 11:40 Concluding Remarks.

SECTION B Boston Convention & Exhibition Center Room 251

Recent Advances in Red & Black Phosphorus Chemistry Financially supported by HORIBA Scientific H. Ji, Organizer, Presiding M. Shatruk, Presiding 8:30 INOR 199. A versatile and efficient red phosphorus photoelectrode. Z. Hu, J.C. Yu 9:00 INOR 200. Black phosphorus optoelectronics and electronics. F. Xia 9:30 INOR 201. Mid-infrared tunable black phosphorus phototransistor for on-chip sensing applications. K. Ang, L. Huang, B. Dong, C. Lee 10:00 Intermission. 10:15 INOR 202. 2D black phosphorus photodetector for near-infrared imaging applications. C. Wang, J. Miao 10:45 INOR 203. Black phosphorous for high-performance photodetectors. A.B. Kaul 11:15 INOR 204. Black phosphorous-based photocatalysts for efficient H2 and O2 evolution from water under visible and near infrared light irradiation. T. Majima

SECTION C Boston Convention & Exhibition Center Room 213

Women in Nanotechnology Cosponsored by WCC J. Hahm, Organizer A. De Bettencourt Dias, Organizer, Presiding J. Hahm, Presiding 8:30 Introductory Remarks. 8:35 INOR 205. Conversion reactions of atomically-precise semiconductor clusters. B.M. Cossairt, J. Stein, M. Friedfeld, A. Ritchhart 8:55 INOR 206. Surface assembly configurations and packing preferences of various proteins on block copolymer nanodomains. J. Hahm 9:15 INOR 207. Escaping flatland: Noncovalent monolayers on 2D materials as a foundation for nanoscale 3D design. S.A. Claridge 9:35 Intermission. 9:45 INOR 208. Nanoscale colors: The art and science of colloidal gold. C.J. Murphy 10:05 INOR 209. Soft surface engineering: The nanoliter aqueous droplet. S. Lee 10:25 INOR 210. Fracture healing is expedited via preferential upregulation of Wnt/β-catenin using targeted nanoparticle GSK3β inhibitor delivery. Y. Wang, M. Newman, M. Baranello, T. Sheu, J. Puzas, D. Benoit 10:45 Intermission. 10:55 INOR 211. DNA-boundaries enhance the binding affinity and proteolytic activity of thrombin. E. Schöneweiß, K. Bravo-Rodriguez, P. Sokkar, E. Sanchez-Garcia, B. Sacca 11:15 INOR 212. Engineered nanostructures as a new cue to regulate cellular signaling processes. G. Liu 11:35 INOR 213. How nanoscopic surface features on microparticles produce rotation-sensitive adhesion and particle rolling motion in flow. M.M. Santore

SECTION D Boston Convention & Exhibition Center Room 212

The Halpern Legacy: Mechanism, Catalysis & Organotransition Metal Chemistry A. S. Goldman, Organizer C. R. Landis, Organizer, Presiding 8:30 Introductory Remarks. 8:40 INOR 214. Mechanistic studies inspired by Jack. J.E. Bercaw 9:10 INOR 215. The Halpern Files: Publications from Jack Halpern that guide organometallic chemistry education and research. M.Y. Darensbourg 9:40 INOR 216. Selective stoichiometric and catalytic reactions in water-soluble host-guest supramolecular systems. R.G. Bergman 10:10 INOR 217. Design and development of a synthetic enzyme for use as a pharmaceutical agent to reduce the undesired side effects of radiation treatment in cancer therapy. D.P. Riley 10:40 INOR 218. Unusual coordination chemistry regulates vitamin B12 trafficking. R. Banerjee 11:10 INOR 219. The synthesis of CalixAzaCryptand molybdenum complexes for the catalytic reduction of dinitrogen to ammonia with protons and electrons. R.R. Schrock, L.A. Wickramasinghe 11:40 INOR 220. Resuscitation of neutrophillic hypochlorous acid-induced damage of mammalian cells by thiocyanate. M.T. Ashby

SECTION E Boston Convention & Exhibition Center Room 211

Coordination Chemistry: Synthesis & Characterization A. Larsen, Organizer S. Fox, R. J. Gilliard, Presiding 8:30 INOR 221. Dicopper(I,I)-naphthyridinediimine-bismercaptides as model complexes of reduced copper A. S. Fox, R. Conger 8:50 INOR 222. Tunable secondary sphere hydrogen bonding for small molecule reduction by first row transition metals. J. Wilson, N.K. Szymczak 9:10 INOR 223. Cellulose-Co(II)-bis-terpyridine hybrid colorimetric sensor for micromolar level aqueous cyanide. C.R. Collins, S. Love, D.J. Boston, I. Bhowmick 9:30 INOR 224. Slow magnetization of axial Dy(III) complexes and their relaxation in zero field. A. Upadhyay, M. Nippe 9:50 INOR 225. Probing steric and electronic effects in substituted trispyridylphosphine ligands using molybdenum carbonyl complexes. J. Leonard, M. Bezpalko, W.S. Kassel 10:10 Intermission. 10:20 INOR 226. Low-valent bismuth complexes enroute to bismuth hydride. G. Wang, L. Freeman, R.J. Gilliard 10:40 INOR 227. High-Pressure methane storage in carbazole-based porous cages. C.A. Rowland, B.A. Trump, C.M. Brown, E.D. Bloch 11:00 INOR 228. Molybdenum-based porous molecular cages for gas storage and solvatochromic sensing. G.R. Lorzing, E.D. Bloch 11:20 INOR 229. Design and synthesis of highly porous coordination cages. C.A. Rowland, E. Gosselin, O. Barreda, G.R. Lorzing, G.E. Decker, E.D. Bloch 11:40 INOR 230. Confinement effects on chemical equilibria: Pentacyano(pyrazine)ferrate(II) stability changes within nanosized droplets of water. D.C. Crans, T. Borunda, A. Myers, M.D. Johnson, M.J. Fisher

SECTION F Boston Convention & Exhibition Center Room 209

Inorganic Catalysts S. A. Koch, Organizer T. R. Cook, S. K. Hurst, Presiding 8:30 INOR 231. Synthesis of a series of palladium and platinum derivatives. S.K. Hurst 8:50 INOR 232. Impact of metal identity and supporting ligand on acetylene hydration by group six catalyst models. A. Najafian, T.R. Cundari 9:10 INOR 233. Electro- and photo- catalytic carbon dioxide reduction using the hom*ogeneous transition metal complexes. Y. Hameed, G. Rao, B. Gabidullin, D.S. Richeson 9:30 INOR 234. Formation, spectroscopy, and oxidase/ oxygenase reactivity of two fluorinated {Cu3O2} species. S.E. Neville, E. Norwine, V. Oswald, N. Orth, I. IvanovicBurmazovic, M. Domin, D. Rukser, F. Biebl, B. GrimmLebsanft, G. Praedel, M. Teubner, M. Rubhausen, P. Liebhauser, T. Rosener, J. Stanek, A. Hoffmann, S. HerresPawlis, L.H. Doerrer

185

TECHNICAL PROGRAM

INOR 172. Synthesis, characterization, and oxidation catalysis studies of cobalt-containing pyridine-aza macrocyclic (PyMac) bleomycin model complexes. S.G. McKenzie, H. Seidel, E.V. Rybak-Akimova INOR 173. Electrochemical investigation of the effect of mode of inclusion of guest metal ions Fe and Al on oxygen evolution catalysis at Ni(OH)2/NiOOH films in borate and KOH. R. Farhat, J. Dhainy, R. Fayad, H. Ghandour, L.I. Halaoui INOR 174. Mechanistic studies of hydrogen peroxide activation with non-heme iron aminopyridine complexes: Fe(III), Fe(IV), and beyond. M. Piquette, G. Yang, O.V. Makhlynets, E.V. Rybak-Akimova INOR 175. Amino acid as a chiral modifier in metal-organic framework for asymmetric hydrogenation reaction. C. Ward, J. Goh INOR 176. Syntheses of structurally rigid Mo-Calix[6] azacryptand complexes and studies of dinitrogen reduction. L.A. Wickramasinghe Weerakkodi, R.R. Schrock, C. Tsay, P. Mueller INOR 177. Application of a unique, multifrequency sonication system to improve nanomaterials synthesis through the heterodyne effect. A. Falco INOR 178. Novel rhenium(I) phosphazane complexes with applications towards electrocatalytic CO2 reduction. M.R. Crawley, T.R. Cook INOR 179. Application of cationic rhodium and ruthenium complexes to catalytic hydrogenation and allylic isomerization. K. Morris, P.T. Maragh, T.P. Dasgupta, K. Abdur-Rashid INOR 180. Air-stable dicopper(I,I)-naphthyridinediimines: Catalytic applications in reactions involving C-H activation of terminal alkynes. R. Conger, S. Fox INOR 181. Intercalation of rhenium bipyridine complexes with zirconium phosphate nanoparticles for energy-related reactions. D.E. Del Toro-Pedrosa, M. Ramos-Garces, J.L. Colon, T.F. Jaramillo, J.A. Perez, L. Riera, S. Fombona, R. Arevalo INOR 182. Adding molecular diodes into hom*ogeneous photocatalytic systems. T. Finley, D. Boston

TECHNICAL PROGRAM

INOR 9:50 Intermission. 10:10 INOR 235. The role of the metal in the dual-metal catalysed hydrophenoxylation of diphenylacetylene. A. Poater 10:30 INOR 236. Covalent electrocatalyst immobilization on high surface area carbon materials. C. Knell, L.A. Berben, S.L. Scott, B. Johnson 10:50 INOR 237. Small molecule activations with selfassembled polynuclear catalysts. T.R. Cook, A.N. Oldacre 11:10 INOR 238. Hydrogen production catalyzed by molecular Co complexes with polydentate ligands in aqueous solution. X. Zhao, P. Wang, X. Hu, G. Liang, P. Li, C. Mokry, S. Lei, M. Sow, C. Odero, C.E. Webster 11:30 INOR 239. Computational modeling of rhenium electrocatalysts featuring charged functional groups in the secondary coordination sphere for CO2 reduction. J. Panetier, X. Li, S. Sung, M. Nippe

SECTION G Boston Convention & Exhibition Center Room 208

Chemistry of Materials: Metal Organic Frameworks C. G. Lugmair, Organizer R. W. Larsen, C. Mottillo, Presiding 8:30 INOR 240. Two-dimensional transition metal dichalcogenides as metal source of metal-organic frameworks. Y. Liu, Y. Sun, S. Hu, X. Guo, C. Song 8:50 INOR 241. Extended DLVO interactions of a metalorganic framework: Implications on colloidal dispersion. E.L. Butler, B. Reid, C. Petit, P.F. Luckham, A.G. Livingston, S. Guldin 9:10 INOR 242. Fabrication of MOF@polymer architecture towards precise functional composite materials. T. Li, S. He, H. Wang 9:30 INOR 243. The design and synthesis of optically active coordination polymers and metal organic frameworks. P. Julien, H.M. Titi, T. Friscic, R.D. Rogers 9:50 INOR 244. Electrochemical synthesis of metal-organic frameworks on modified electrode surfaces. G.E. Decker, W. Wu, E.D. Bloch 10:10 Intermission. 10:25 INOR 245. MOF-polymer composite nonwovens by solution blow spinning. J. Deneff, K.S. Walton 10:45 INOR 246. Metal–organic frameworks with multicomponents in order. B. Tu, Q. Li 11:05 INOR 247. Modulating the photophysics of ruthenium polyimine complexes through encapsulation in metal organic frameworks: A time dependent density functional theory study. R.W. Larsen, L. Wojtas, T.J. Green 11:25 INOR 248. Nanocasting in metal-organic framework materials. A. Stein, C. Malonzo, Z. Wang, W. Zhao, T. Webber, R. Penn 11:45 INOR 249. Clean and scalable synthesis of microporous metal-organic frameworks in supercritical carbon dioxide. C. Mottillo, J. Marrett, S. Girard, J. Do, C.W. Nickels, D. Gandrath, L. Germann, R. Dinnebier, A.J. Howarth, O.K. Farha, T. Friscic, C. Li

Innovation & Commercialization in the Chemical Sector Sponsored by SCHB, Cosponsored by INOR

Chemical Applications of Ultrafast X-ray/XUV Spectroscopy & Scattering Spin Crossover & Transition Metal Photophysics Sponsored by PHYS, Cosponsored by INOR

Chemistry of Materials Lectureship & Best Paper Award Sponsored by PMSE, Cosponsored by INOR

MONDAY AFTERNOON SECTION A Boston Convention & Exhibition Center Room 252A

Water Splitting & Solar Fuels: Progress & Challenges to Widespread Utilization K. Bren, T. D. Krauss, Organizers, Presiding 1:30 Introductory Remarks. 1:35 INOR 250. Solar production of C8+ fuels. D. Loh, S.N. Nangle, P. Silver, D.G. Nocera 2:05 INOR 251. First-row transition metal catalysts for water splitting and CO2 reduction. Z. Han 2:35 INOR 252. Multifaced mechanisms of CO2 reduction to CO by iridium(III) phenyl-pyridine photo- and electrocatalysts. G. Manbeck, E. Fujita, D.E. Polyansky

186

3:05 INOR 253. Recent studies of the electrochemical reduction of CO2 by Mn, Re, and Ni complexes. C.P. Kubiak 3:35 Intermission. 3:50 INOR 254. Robust catalysts for solar-driven water splitting. H.B. Gray 4:20 INOR 255. Changes in nanocrystal surface chemistry upon ligand exchange and the addition of charge carriers. J.L. Dempsey, C. Hartley, M. Kessler, H. Starr, K. Rountree, R. Knauf 4:50 INOR 256. Ligand-controlled synthesis and electrochemistry of colloidal copper and iron oxide nanocrystals. D.A. Brewster, M. Tariq, J.W. Andrews, D.J. Sarappa, K.E. Knowles

SECTION B Boston Convention & Exhibition Center Room 251

Recent Advances in the Photochemistry & Photophysics of the P-Block Elements T. Hudnall, Organizer D. W. Johnson, Presiding 1:30 INOR 257. Strongly reducing visible light organic photoredox catalysts. G. Miyake 1:50 INOR 258. Tellurium-containing aerobic photocatalysts. T. McCormick 2:10 INOR 259. Photoswitchable carbenes: Using light to control organo- and metal-mediated transformations. C. Bielawski 2:30 INOR 260. Metal-free nanomaterials as photosensitizers for hybrid photocatalytic systems. C.A. Caputo, H.L. Bell, C.A. Ayotte, S. Hollen 2:50 Intermission. 3:00 INOR 261. Pyrylium and thiopyrylium catalysts for photoredox-mediated ring-opening metathesis polymerization. A.J. Boydston, L.M. Pascual, P. Lu 3:20 INOR 262. Irradiation of white phosphorus as a means to access the chemistry of diphosphorus. D. Tofan, A. Velian, C.C. Cummins, L. Wang, J. Chen, T.A. Van Voorhis 3:40 INOR 263. Synthesis and photoreduction of heteronuclear late transtion metal/main group element complexes. F.P. Gabbai 4:00 INOR 264. Supramolecular assemblies and anion recognition: Going p-block. C. Deng, J. Lohrman, J. Bard, M.M. Haley, D.W. Johnson

SECTION C Boston Convention & Exhibition Center Room 213

Women in Nanotechnology Cosponsored by WCC J. Hahm, Organizer A. De Bettencourt Dias, Organizer, Presiding J. Hahm, Presiding 1:30 Introductory Remarks. 1:35 INOR 265. The effect of extreme spatial confinement on the glass transition and thermal stability of polymers infiltrated in nanoparticle films. Z. Fakhraai, H. Wang, J. Hor, D. Lee 1:55 INOR 266. Controlling nanoscale disorder in soft materials. T.W. Odom 2:15 INOR 267. Carbon nanomaterial electrodes for neurotransmitter detection. B.J. Venton, C. Yang, P. Puthongkham, Q. Cao 2:35 Intermission. 2:45 INOR 268. The role of interfaces for water and binary systems under confinement. T.L. Head-Gordon 3:05 INOR 269. Synthesis of nanoparticles with strained alloyed surfaces as effective catalysts. S.E. Skrabalak, J. Gamler, H. Ashberry 3:25 INOR 270. Polymer ultrathin films: Preparation, stability, and morphology. W. Chen 3:45 Intermission. 3:55 INOR 271. Controlling the chemical environment of robust nanodiamond supports for noble metal nanoparticle catalysts. J.S. Shumaker-Parry, D. Parker, M. Bornstein, I. Zharov 4:15 INOR 272. Tetrahedrite nanomaterials: Characterization of synthesis and thermoelectric performance. D.P. Weller, G.E. Kunkel, A.M. Ochs, D.T. Morelli, M.E. Anderson 4:35 INOR 273. Arrays of high-aspect ratio nanostructures for biological applications. K.L. Martinez

SECTION D Boston Convention & Exhibition Center Room 212

The Halpern Legacy: Mechanism, Catalysis & Organotransition Metal Chemistry C. R. Landis, Organizer A. S. Goldman, Organizer, Presiding 1:30 INOR 274. Mechanistic analysis of hom*ogeneous, catalytic C-H bond functionalization processes. J.F. Hartwig 2:00 INOR 275. C-H and C-C bond cleavage, and catalytic dehydrogenative C-C coupling by iridium-pincer complexes. W.D. Jones, M. Wilklow-Marnell, W.W. Brennessel 2:30 INOR 276. Mechanistic studies of C-H activation by a superoxonickel complex. C.G. Riordan 3:00 INOR 277. Reactions of late transition metal complexes with molecular oxygen. K.I. Goldberg 3:30 INOR 278. Kinetic and mechanistic understanding of oxidative addition and reductive elimination of Pt(II) and Pt(IV) complexes. E. Bowes, K. Altus, J. Love 4:00 INOR 279. Mechanism of insertion of two isonitriles into M−C bonds of group 4 dialkyl complexes. J. Chen, N. Yassin, J.R. Norton, M. Rauch 4:30 INOR 280. Promotion of CO insertion into metal-alkyl bonds by nucleophiles: Elucidation of an unanticipated mechanism of the “Halpern insertion reaction”. T. Zhou, S.L. Webb, K. Krogh Jespersen, A.S. Goldman 5:00 INOR 281. Mechanistic studies of nickel catalyzed cross-coupling and cross-electrophile reactions. N. Hazari

SECTION E Boston Convention & Exhibition Center Room 211

Pathways for Industrial Chemists Symposium L. M. Berreau, N. S. Radu, Organizers, Presiding 1:30 Introductory Remarks. 1:35 INOR 282. Is it Candy Land or Sugar Rush? D. Mason 2:00 INOR 283. An academic chemist in the industrial world. C.R. Mulzer 2:25 INOR 284. Surfing the whitewash of the metallocene wave. J.F. Walzer 2:50 INOR 285. Basic research, technology commercialization, business management…and back. R.A. Fisher 3:15 Intermission. 3:25 INOR 286. Navigating a career in industrial research. K.G. Moloy 3:50 INOR 287. The road less traveled: How being open to unique career pathways makes all the difference. T.N. ho*rter 4:15 INOR 288. Innovating great Ideas. H. Nienaber 4:40 INOR 289. Insights into R&D careers in the chemical industry. A.V. Davis 5:05 Panel Discussion.

SECTION F Boston Convention & Exhibition Center Room 209

Organometallic Chemistry: Applications to Organic Transformations N. S. Radu, Organizer J. M. O Connor, Presiding 1:30 INOR 290. Conjugated 1,3-dien-5-yne cycloaromatization triggered by carbon-hydrogen bond activation. J.M. O Connor, D.M. Hitt, P. Qin, H. Steger, K.K. Baldridge 1:50 INOR 291. Palladium-catalyzed cross-coupling of aryl esters. A. Dardir, P.R. Melvin, N. Hazari 2:10 INOR 292. Synthesis and reactivity of proazaphosphatrane-supported palladium complexes: Elusive intermediates in cross-coupling. M. Johnson 2:30 INOR 293. Platinum(II)-catalyzed additions to conjugated alkynones. J.W. Hartman, B. Howard 2:50 INOR 294. Development of an iron-catalyzed SuzukiMiyaura cross-coupling reaction between alkyl halides and unactivated aryl boronic esters. M.P. Crockett, C.C. Tyrol, A.S. Wong, J.A. Byers 3:10 INOR 295. Surface Fe(III)-bipyridine catalysts for selective oxidation of styrene. J. Rondeau, M. Louis, S. Lavallee, G. Li 3:30 INOR 296. Metal coordination to conjugated trienes: Di-, tetra-, and hexapto coordination and associated chemical reactivity. J.M. O Connor, P. Qin, K.M. Veccharelli, H. Steger, L. Wang, K.K. Baldridge 3:50 INOR 297. Molybdenum imido, tungsten imido, and tungsten oxo alkylidene N-heterocyclic carbene catalysts: Highly active, functional group-tolerant catalysts for olefin metathesis. M. Buchmeiser 4:10 INOR 298. PNP transition metal catalyzed sustainable chemistry. M. Nielsen

SECTION G Boston Convention & Exhibition Center Room 208

Chemistry of Materials: Nanomaterials C. G. Lugmair, Organizer H. V. Kumar, J. Lee, Presiding 1:30 INOR 302. Synthesis of shaped intermetallic nanoframes through the low-temperature annealing of core-sandwich-shell nanoparticles. B.P. Williams, A.P. Young, I. Andoni, M. Golden, C. Tsung 1:50 INOR 303. Functionalization of boron nitride nanotubes for aerospace applications. K.K. Smith, N. Redeker, J.C. Marcischak, J.R. Alston, A.J. Guenthner, K.B. Ghiassi 2:10 INOR 304. Etching of transition metal dichalcogenide monolayers into nanoribbon arrays. Z. Wang, X. Zhang, J. Hatchel, A. Apte, C. Tiwary, R. Vajtai, J. Idrobo, R. Ozturk, A.M. Pulickel 2:30 INOR 305. Characterization and applications of exfoliated nanosheets at interface. H.V. Kumar, A. Palmieri, F. Ansari, W.E. Mustain, D.H. Adamson 2:50 INOR 306. Chirality-related applications of helical nanoparticles with Sub-10-nm helical pitches. Z. Huang 3:10 INOR 307. Patterned molybdenum disulfide growth by ion-beam induced hydroxylation of silicon dioxide substrates. S.F. Bartolucci, J.A. Maurer 3:30 INOR 308. Studying the effect of electrospinning parameter and aging time on average diameter and fiber hom*ogeneity for pure electrospun SiO2-TiO2 nanofibers via response surface methodology. B. Motealleh, J. Grossoehme, C.J. Cornelius 3:50 INOR 309. Controlling the growth of thermally treated nanocrystal seeds on the surface of the substrate. M.A. Mahmoud, M. Abdul-moqueet 4:10 INOR 310. Synthesis and characterization of colloidal Fe(III)-doped strontium titanate nanocrystals. M. Abdullah, H. Mansoor, K.R. Kittilstved 4:30 INOR 311. Reducing-agent-free and template-free synthesis of metal nanostructures in aqueous microdroplets. J. Lee, D. Samanta, H. Nam, R.N. Zare

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Undergraduate Research Posters Inorganic Chemistry Sponsored by CHED, Cosponsored by INOR and SOCED

MONDAY EVENING SECTION A Boston Convention & Exhibition Center Exhibit Hall B2/C

Sci-Mix S. A. Koch, N. S. Radu, Organizers 8:00 – 10:00 23, 91, 96, 127, 128, 140-141, 143, 163, 173, 176, 178, 183, 189-190, 293-295. See previous listings. 343, 355, 357-358, 440, 442, 454-455, 475-478, 483, 486488, 494-495, 499, 507, 509-510, 520-521, 589, 591, 595, 622, 625, 675, 677, 682, 690, 692, 696, 699, 704, 715, 719720, 724, 727, 729, 734, 737-738, 744-745, 750, 752, 754, 757-758, 762, 766-767, 771. See subsequent listings.

TUESDAY MORNING SECTION A Boston Convention & Exhibition Center Room 252A

Water Splitting & Solar Fuels: Progress & Challenges to Widespread Utilization

9:00 INOR 312. Eisenberg-inspired smart sensing materials. A.E. Norton, M.K. Abdolmaleki, C.K. Williams, S. Barzegar, S.D. Taylor, J.A. Krause, W.B. Connick 9:30 INOR 313. How to turn iron into ruthenium. T. Jiang, Y. Bai, Q. Han, D.B. Mitzi, M.J. Therien 10:00 INOR 314. Ultrafast structural and electronic changes in monomeric and aggregated chalcogenorhodamine dyes used for solar hydrogen production. M.F. Mark, Z. Piontkowski, G. Li, M. Kryman, M. Detty, R. Eisenberg, D.W. McCamant 10:30 Intermission. 10:45 INOR 315. Bimetallic complexes for enhanced sunlight capture: Role of metal-metal distance on excites state properties. C. Turro, T.J. Whittemore, C. Xue 11:15 INOR 316. Probing the electronic properties of a new type of partial paddlewheel dirhodium compound: Transversus cis-bridges in di-imine formamidinate compounds. K.R. Dunbar 11:45 INOR 317. Photochemical and photoelectrochemical H2 production using systems sensitized by rhodamineplatinum diimine dithiolate dyads. G. Li, M.F. Mark, D.W. McCamant, R. Eisenberg

SECTION B Boston Convention & Exhibition Center Room 251

Recent Advances in the Photochemistry & Photophysics of the P-Block Elements T. Hudnall, Organizer Z. M. Heiden, Presiding 8:30 INOR 318. Synthesis and characterization of 3-aryl1,3,2-benzoxazaboroles. D.E. Gross 8:50 INOR 319. 1,3-Benzoxaphospholes and related compounds as luminescent materials. J.D. Protasiewicz 9:10 INOR 320. The synthesis of boron-containing heteroarenes and examination of their photophysical properties. C. Martin 9:30 INOR 321. Stimuli responsive difluoroboron β-diketonate dyes in different environments. C.L. Fraser, F. Wang, M. Zhuang, C.A. DeRosa, T. Butler, C. Kerr, M. Daly, D. Song, N. Manu 9:50 INOR 322. Utilization of BODIPY dyes to introduce redox and photochemistry into main group complexes. Z.M. Heiden, I. Kieffer, R. Allen, J. Deobald, B. Thompson, J. Fernandez 10:10 Intermission. 10:20 INOR 323. Donor-acceptor facilitated diarylethene photoisomerization. Y. Shi, S. Mellerup, S. Wang 10:40 INOR 324. Doublet emitters derived from singlet carbenes as potential OLED materials. T. Hudnall, G. Harmon, C. Barragan, G. Braun, R.N. Arias 11:00 INOR 325. Electron-deficient arylboranes as building blocks for optoelectronic materials. F. Jaekle 11:20 INOR 326. Triarylborane π-electron systems with intramolecular charge-transfer transitions. C. Zhao

SECTION C Boston Convention & Exhibition Center Room 213

Inorganic Nanoscience Award Symposium Financially supported by University of South Carolina NanoCenter B. M. Cossairt, Organizer B. Cossairt, Presiding 8:30 Introductory Remarks. 8:35 INOR 327. Colloidal quantum wells for energy manipulations on fast timescales. R.D. Schaller 9:05 INOR 328. Novel three-dimensional and lowdimensional metal halide perovskites: from light emission to hard radiation detection. M. Kovalenko, O. Nazarenko 9:35 INOR 329. Synthesis of light-emitting perovskite nanocrystals and their application in optoelectronic devices. A. Rogach 10:05 Intermission. 10:20 INOR 330. Valence and hybridization in artificial atoms: Controlling coupling and superstructure through shape directed nanocrystal assembly. C.B. Murray, T. Paik, S. Najmr, M. Zhang, C. Zeng, K.C. Elbert, D. Jishkariani, C.R. Kagan, Y. Wu 10:50 INOR 331. Building devices from colloidal semiconductor nanocrystal assemblies. C.R. Kagan 11:20 INOR 332. Manufacturing by self-organization. N. Kotov 11:50 INOR 333. Engeeniring of nanoparticle surface for self-assembly and catalysis. E. Shevchenko

SECTION D Boston Convention & Exhibition Center Room 212

The Halpern Legacy: Mechanism, Catalysis & Organotransition Metal Chemistry A. S. Goldman, Organizer C. R. Landis, Organizer, Presiding 8:30 INOR 334. Organoboron-modified cyanometalates for use in nonaqueous redox flow batteries. H.B. Gray, B.J. McNicholas, E. Despagnet-Ayoub 9:00 INOR 335. Proton-coupled electron transfer activation of a tungsten hydride complex. J.L. Dempsey, T. Huang 9:30 INOR 336. Activation of hydrogen and the photogeneration of hydrogen: How Jack’s mechanistic thinking informed artificial photosynthesis. R. Eisenberg 10:00 INOR 337. Making and breaking iron hydride bonds. R. Bullock, D.E. Prokopchuk, G.M. Chambers, E.D. Walter, E.S. Wiedner 10:30 INOR 338. Surface science meets hom*ogeneous catalysis. Surfaces as ligands and activators. T.J. Marks 11:00 INOR 339. Self-assembled multinuclear catalysts for the copolymerization of ethylene and polar vinyl monomers. R.F. Jordan 11:30 INOR 340. Mechanistic studies of ethylene/polar vinyl monomer copolymerizations using well-defined Ni(II) and Pd(II) complexes. M. Brookhart

SECTION E Boston Convention & Exhibition Center Room 211

Organometallic Chemistry: New Ligand Platforms N. S. Radu, Organizer D. A. Laviska, L. Tahsini, Presiding 8:30 INOR 341. Adding planar handle to a carbon bowl: Structure, aromaticity and reduction chemistry of naphthocorannulene. Z. Zhou, S.N. Spisak, A.Y. Rogachev, Z. Wei, M.A. Petrukhina 8:50 INOR 342. Influence of BODIPY dye containing ligand scaffolds on metal complex reactivity. Z.M. Heiden, N.R. Treich, B. Thompson 9:10 INOR 343. Pursuing two electron chemistry with first-row transition metals using a biologically inspired redoxactive ligand. I. Huerfano, M. Pink, C. Chen, K.G. Caulton 9:30 INOR 344. New sulfonated CNN-pincer ligands for Pt-CH3 bond making and breaking: reactivity trend. J. Ruan, P.Y. Zavalij, A.N. Vedernikov 9:50 INOR 345. Tales of two isomers: Probing the mechanism of C-H addition to tBuPCPIr by comparing the products of reactions with naphthalene and azulene. D.A. Laviska, K.A. Grice, T.J. Emge, A.S. Goldman 10:10 INOR 346. Bond activation with PBP pincer complexes of group 9 metals. O. Ozerov, Y. Cao, W. Shih 10:30 INOR 347. Dihydrogen activation on a monovalent cobalt center supported by PNP ligands. J. Choi, Y. Lee 10:50 INOR 348. Redox–active behavior of a PPP ligand with a cobalt center. S. Kim, Y. Lee 11:10 INOR 349. P-P bond employed in metal-ligand cooperation as an active 1-electron reservoir. Y. Kim, Y. Lee 11:30 INOR 350. Monochelating β-diketonate ligands. A.S. Crossman, S.M. Krajewski, M.P. Marshak 11:50 INOR 351. Electronic and structural modulation of pincer bis(N-heterocyclic carben) copper complexes: Application in strong bonds activation and catalysis. L. Tahsini, R. Latifi, D. Domyati, J. Minnick 12:10 INOR 352. Iron compounds incorporating pyrrolebased pincer ligands: Reactivity and applications in catalysis. C.V. Thompson, Z.J. Tonzetich

SECTION F Boston Convention & Exhibition Center Room 209

Inorganic Spectroscopy C. Popescu, Organizer M. George, Presiding 8:30 INOR 353. Time-resolved IR and XAFS studies in organometallic photochemistry: Alkane and noble gas complexes and solvation. M. George 8:50 INOR 354. Virtual error bars for property predictions in computational inorganic spectroscopy. J. Proppe, M. Reiher 9:10 INOR 355. Spectroscopic chameleons – speciation and vibrational characterization of aluminate and its dimeric analogues using ab initio molecular dynamics. M. Pouvreau, M. Dembowski, S.B. Clark, J.G. Reynolds, K.M. Rosso, G.K. Schenter, C. Pearce, A.E. Clark

K. Bren, T. D. Krauss, Organizers, Presiding

187

TECHNICAL PROGRAM

4:30 INOR 299. Aerobic C-C and C-O bond formation reactions mediated by high-valent organometallic nickel(III/ IV) species. S.M. Smith, L.M. Mirica 4:50 INOR 300. Highly enantioselective activated imine hydrogenation by an iron P-NH-P’ catalyst. S.G. Seo, S. Smith, A.J. Lough, R.H. Morris 5:10 INOR 301. Exploring group 4 metal complexes as catalysts for C–N coupling reactions. D.R. Manke

TECHNICAL PROGRAM

INOR 9:30 INOR 356. Characterizing the effect of ligand tail group over the electronic structure of gold thiolate “staples”. A. Cirri, H. Morales, C. Kmiotek, C.J. Johnson 9:50 INOR 357. 207Pb NMR of ferroelectric perovskite lead germanate at and below the paraelectric phase transition. C.E. Avalos, B. Walder, J. Viger-Gravel, L. Emsley 10:10 INOR 358. Bridge-mediated intramolecular electron transfer in opposite directions. E. Piechota, L. Troian-Gautier, R. Sampaio, K. Hu, M.K. Brennaman, C.P. Berlinguette, G.J. Meyer 10:30 Intermission. 10:35 INOR 359. Elemental quantification of a standard nanocarbon material subjected to alkaline oxidation. F.F. Simoes, N. Batra, P. Costa 10:55 INOR 360. Magneto-phonon interactions in singlemolecule magnets by far-IR and Raman with magnetic field. D.H. Moseley, Z. Xue, S. Stavretis, K. Thirunavukkuarasu, Z. Lu, M. Ozerov, D. Smirnov 11:15 INOR 361. New cyanide fluorescence sensors based on fluorescein and aza-BODIPY for selective detection in aqueous media and living cells. N. Wanichacheva, P. Piyanuch, Y. Tachapermpon, P. Sinthuprasert 11:35 INOR 362. Probing ion coordination and energy exchange in chelate complexes with ultrafast vibrational spectroscopy. S.C. Edington, C. Baiz

SECTION G Boston Convention & Exhibition Center Room 208

Chemistry of Materials: Metal Organic Frameworks C. G. Lugmair, Organizer J. Dou, Presiding 8:30 INOR 363. Flexible metal-organic frameworks for gas separation: A mechanistic investigation. W. Zhou 8:50 INOR 364. Investigation of gas adsorption in metalorganic framework materials using neutron diffraction. H. Wu 9:10 INOR 365. Tubular shape metal-organic framework for controlled drug release. Q. Wang, H. Zhou 9:30 INOR 366. Mechanism of rapid NH3 adsorption by Prussian blue analogues. S. Manakasettharn, A. Takahashi, T. Nakamura, T. Kawamoto 9:50 INOR 367. Fabrication of free-standing COF membranes for separation application. Z. Wang, Y. Chen, Z. Zhang 10:10 INOR 368. Cooperative adsorption of carbon disulfide in diamine-appended metal–organic frameworks. C. McGuirk 10:30 Intermission. 10:45 INOR 369. Recent advances in porous liquids. S. James 11:05 INOR 370. Role of guest-host and guest-guest interactions in selective gas adsorption in MOF materials: Theoretical aspects. R. Belosludov 11:25 INOR 371. Carbon dioxide detection with 2D conductive metal-organic frameworks. J. Dou 11:45 INOR 372. Chemical warfare agent simulant interactions of Zr-MOFs and the effects of battlefield contaminants on CWA uptake: From fundamental studies to applied research. C.H. Sharp, T. Grissom, D.M. Driscoll, P. Usov, A. Ebrahim, D. Troya, A. Frenkel, A.J. Morris, J.R. Morris 12:05 INOR 373. Copper (II) doped zeolitic imidazolate framework-8 (Cu/ZIF-8) as a pH responsive drug carrier: Co-enhancement of bioavailability and activity of curcumin in aqueous media. T. Dutta, D. Bagchi, S. Pal

Mechanisms of Binding, Transport & Biotransformation of Toxic Metals Sponsored by TOXI, Cosponsored by INOR

Chemical Applications of Ultrafast X-ray/XUV Spectroscopy & Scattering Photocatalysis & Photovoltaics Sponsored by PHYS, Cosponsored by INOR

TUESDAY AFTERNOON SECTION A Boston Convention & Exhibition Center Room 252A

Water Splitting & Solar Fuels: Progress & Challenges to Widespread Utilization K. Bren, T. D. Krauss, Organizers K. E. Knowles, D. W. McCamant, Presiding

188

1:30 INOR 374. Structure/function analysis of a series of bimetallic, hydrogenase-inspired, HER electrocatalysts. S. Ding, P. Ghosh, M.B. Hall, M.Y. Darensbourg 2:00 INOR 375. Heteroleptic catalyst design for proton reduction. T. McCormick 2:30 INOR 376. Catalyst sensitized metal oxides for photocatalytic hydrogen generation. W.R. McNamara 3:00 INOR 377. Approaches to sustainable energy based on pincer complexes capable of metal-ligand cooperation. D. Milstein 3:30 Intermission. 3:45 INOR 378. Hydrogen storage and release with organic molecules: Heterolytic C-H and N-H/O-H activation. W.D. Jones, S. Chakraborty, R. Xu, J. Yuwen, S.M. Bellows, M. Wilklow-Marnell 4:15 INOR 379. Noble-metal-free catalysts for hydrogen production and water oxidation: from molecular systems to nanomaterials. D. Jiang, Z. Sun, L. Zhang, P. Du 4:45 INOR 380. Efficient photocatalytic and photoelectrochemical generation of hydrogen in noble-metalfree systems. H. Lv, R. Eisenberg 5:15 Concluding Remarks.

SECTION B Boston Convention & Exhibition Center Room 251

Recent Advances in the Photochemistry & Photophysics of the P-Block Elements T. Hudnall, Organizer D. S. Seferos, Presiding 1:50 INOR 381. Tunable optical properties and electrochemistry of ladder-type conjugated molecules bridged by dynamic B—N coordination. L. Fang, C. Zhu, A. Mu 2:10 INOR 382. Polymeric phosphorescent materials based on tellurium and bismuth. E. Rivard, S. Parke, Y. Tsuchiya, E. Hupf 2:30 INOR 383. A trip down the group 16. D.S. Seferos 2:50 INOR 384. Phosphorus-containing fluorophores for bio-imaging. S. Yamaguchi 3:10 Intermission. 3:20 INOR 385. The enduring utility of azobenzene as a photocontrol unit in hybrid macromolecular systems. W.J. Brittain, S.K. Rastogi, S. Zauscher 3:40 INOR 386. Modulating the electronic structure of ligating groups using photochromic molecules: An experimental and theoretical foray. M.C. Andrews, A.F. Cozzolino 4:00 INOR 387. Ultrafast investigations of photoinduced electron transfer and bond formation in organic/inorganic hybrid materials. A.E. Bragg 4:20 INOR 388. Redefining melanin starting with eumelanin-inspired optical materials. T.L. Nelson

SECTION C Boston Convention & Exhibition Center Room 213

Bioinorganic Chemistry: Proteins & Enzymes & Model Systems Emerging Leader in Bioinorganic Chemistry Award Presentation S. A. Koch, Organizer B. T. Donovan-Merkert, M. D. Liptak, Presiding 1:30 Introductory Remarks. 1:35 INOR 389. Investigations into denitrification with bioinspired iron complexes. A.R. Fout, T.J. Miller 2:05 INOR 390. Murine calprotectin sequesters Mn(II) at a hexahistidine site. R.C. Hadley, D. Gagnon, R.D. Britt, E.M. Nolan 2:25 INOR 391. Concentration-dependent binding behavior of CdSe quantum dot on SH3 domain. D. Bell, S. Kang, R. Zhou 2:45 INOR 392. Binding site for coenzyme A revealed in the structure of pyruvate:ferredoxin oxidoreductase from Moorella thermoacetica. P. Chen, H. Aman, M. Can, S.W. Ragsdale, C.L. Drennan 3:05 INOR 393. Mimicking class Ib Mn2-ribonucleotide reductase: MnII2 complexes and their reaction with superoxide. A.R. McDonald 3:25 Intermission. 3:35 INOR 394. Targeting Fe-S protein to fight neglected tropical diseases. P.R. Feliciano, C.L. Drennan, M.C. Nonato 3:55 INOR 395. Metalloprotein design using genetic code expansion. J. Wang

4:15 INOR 396. Spectroscopic evidence for electronic control of heme hydroxylation by Staphylococcus aureus IsdG. M.D. Liptak 4:35 INOR 397. Characterization of protein-protein interactions in 3-ketosteroid-9α-hydroxylase necessary for protein electron transfer. S.R. Soltau 4:55 INOR 398. Elucidating the role of substrate positioning in non-heme Fe(II) and alpha-ketoglutarate dependent halogenase SyrB2: A computational study. R. Mehmood, H. Qi, H.J. Kulik 5:15 INOR 399. Syntheses and characterization of cobalt(II) SNS pincer model complexes for liver alcohol dehydrogenase. J.R. Miecznikowski, J.P. Jasinski, M. Kaur, M.A. Lynn

SECTION D Boston Convention & Exhibition Center Room 212

The Halpern Legacy: Mechanism, Catalysis & Organotransition Metal Chemistry C. R. Landis, Organizer A. S. Goldman, Organizer, Presiding 1:30 INOR 400. Mechanism driven catalyst development. R.H. Grubbs 2:00 INOR 401. Mechanistic studies of cation-tunable catalytic olefin isomerization. A.J. Miller, J.B. Smith, M.R. Kita, A.M. Camp, J. Grajeda, H.M. Dodge 2:30 INOR 402. Asymmetric catalytic hydrogenation of quinolines leading to compounds with high anti-cancer activity and low toxicity. A. Chan, J. Tang 3:00 INOR 403. Understanding the mechanism of cobaltcatalyzed asymmetric hydrogenation: Halpern’s lessons from rhodium redux? P.J. Chirik 3:30 INOR 404. Kinetic investigations into the mechanism of Ti-catalyzed nitrene transfer reactions: What can we learn from the Halpern academic tree? I. Tonks 4:00 INOR 405. The synthesis of CO2-based polycarbonates with functionalities. D.J. Darensbourg 4:30 INOR 406. Operando methods, off-cycle species, and rate-controlling pathways in catalytic, enantioselective hydroformylation. C.R. Landis 5:00 INOR 407. Designing self-powered nanobots. A. Sen 5:30 Concluding Remarks.

SECTION E Boston Convention & Exhibition Center Room 211

Chemistry of Materials: Nanomaterials C. G. Lugmair, Organizer G. Nolis, M. Zhou, Presiding 1:30 INOR 408. Comprehensive magnetic study of nanostructured mesoporous manganese oxide materials and implications for catalytic behavior. E. Moharreri, W. Hines, S. Biswas, D. Perry, J. He, D. Murray-Simmons, S.L. Suib 1:50 INOR 409. Effect of soft template variation on the synthesis, physical and electrochemical properties of manganese oxide nano-materials. M. Danish, M. Tayyab 2:10 INOR 410. Nickel boride nanocrystals: promising electrocatalysts for water splitting. A. Herve, T. Chan Chang, M. Han, B. Lassalle, C. Sanchez, S. Carenco, D. Portehault 2:30 INOR 411. Size dependent thermal decomposition of prussian blue analogue as precursors for magnetic nanoparticles. D.A. Hardy, S.E. Parrish, G.F. Strouse 2:50 INOR 412. Disproof of a surface-ligand thermodynamic effect in the synthesis of Co3O4 nanoparticles. M. Zhou, S. Folkman, M. Nicki, R.G. Finke 3:10 INOR 413. Colloidal Mn-O phase space as a function of temperature and oxidizing agent. G. Nolis, J. Cabana 3:30 INOR 414. Asking big questions in nanocrystal research. M.P. Campos 3:50 INOR 415. Prussian blue analogues as a precursor for facile synthesis of iron-cobalt and iron-cobalt carbide catalytic nanoparticles. C. Dyer, G.F. Strouse 4:10 INOR 416. Working in stealth mode: Towards the development of biomolecular corona-resistant hydrophilic nanomaterials for biomedical applications. T. Joshi, A. Nsubuga, K. Zarschler, H. Stephan 4:30 INOR 417. Design, self-assembly, and switchable wettability in hydrophobic, hydrophilic, and Janus dendritic ligand−gold nanoparticle hybrid materials. K.C. Elbert, D. Jishkariani, J.D. Lee, Y. Wu, C.B. Murray 4:50 INOR 418. Target-specific fluorescent gold nanoclusters for inhibition of bacterial growth. K. Chen, S. Tan, T. Chang, J. Kuo, X. Pan, T. Kuo 5:10 INOR 419. In situ study of the transformation of lead halide nanocrystals into lead halide pervoskite nanocrystals using fluorescent microscopy. B. Yin

Boston Convention & Exhibition Center Room 209

Lanthanide & Actinide Chemistry A. De Bettencourt Dias, Organizer E. Boros, M. T. Dumas, E. V. Govor, D. E. Smiles, Presiding 1:30 INOR 420. Investigation of the electronic structure and evaluation of the covalency of cerocene, (C8H8)2Ce, using carbon K-edge X-ray absorption spectroscopy. D.E. Smiles, R.A. Andersen, E.R. Batista, D.L. Clark, J.M. Keith, S.A. Kozimor, R.L. Martin, D.K. Shuh, S.E. Stieber, T. Tyliszczak, S.G. Minasian 1:50 INOR 421. Luminescent properties of lanthanide complexes with perfluorinated pinacolate and t-butoxide ligands. C.M. Kotyk, J.E. Weber, A.S. Hyre, J. McNeely, J. Montiero, M. Domin, A.L. Rheingold, A. De Bettencourt Dias, L.H. Doerrer 2:10 INOR 422. Mechanism of liquid-liquid solvent extraction of uranyl by tributyl phosphate: A study using vibrational sum frequency generation spectroscopy. R. Kusaka, M. Watanabe 2:30 INOR 423. Actinide separation from LiCl-KCl molten salt using sacrificial Gd anode. P. Bagri, J. Ong, C. Zhang, M.F. Simpson 2:50 INOR 424. Efficient energy transfer from near-infrared emitting gold nanoparticles to pendant ytterbium(III). S. Crawford, C.M. Andolina, D. Kaseman, B. Ryoo, A. Smith, K. Johnston, J. Millstone 3:10 INOR 425. Exploring the synthesis and reductive chemistry of bimetallic rare-earth complexes. M.T. Dumas, J.W. Ziller, W.J. Evans 3:30 INOR 426. Understanding and controlling the emission brightness and color of molecular cerium luminophores. Y. Qiao, D. Sergentu, H. Yin, A. Zabula, T. Cheisson, A. McSkimming, B.C. Manor, P. Carroll, J.M. Anna, J. Autschbach, E.J. Schelter 3:50 INOR 427. Reactivity of imino-functionalized indoles with rare-earth metal amides and alkyls: Catalysis for isoprene controllable polymerization. S. Wang 4:10 INOR 428. Self-illuminated luminescent lanthanides as multimodal imaging probes. A. Cosby, S. Ahn, E. Boros 4:30 INOR 429. Exploring aryloxide ligands in the synthesis of complexes of new +2 ions of the rare-earth metals. S.A. Moehring, J.W. Ziller, W.J. Evans 4:50 INOR 430. Binding and extraction of trivalent lanthanides by tripodal sulfonamides and pyrazoles: structural, theoretical and spectroscopic studies. E.V. Govor, A.N. Morozov, T. Jonah, G.A. Flores, A.M. Mebel, R.G. Raptis, K. Kavallieratos 5:10 INOR 431. Recent advances in f-block metallocenophane chemistry: Development of monoand multi- lanthanide-[1]ferrocenophane singlemolecule magnets. T. Latendresse, V. Vieru, B. Wilkins, N.S. Bhuvanesh, L. Chibotaru, M. Nippe 5:30 INOR 432. Lanthanide(III)-binding proteins as sensors for molecular fMRI. P. Harvey, V. Hsieh, A. Jasanoff

SECTION G Boston Convention & Exhibition Center Room 208

Solid-State Inorganic Chemistry C. G. Lugmair, V. Poltavets, Organizers C. Thompson, Presiding 1:30 INOR 433. Printable thin-film lead zirconate titanate (PZT) deposition using an aerosol deposition printing method. A.R. Marotta, S. Williams 1:50 INOR 434. The dawn of the chemistry of quantum materials: Discovery, synthesis, and behavioral insights. T. McQueen 2:10 INOR 435. Chemical and electrochemical lithium intercalation in the layered tetrel pnictides GeAs and SiAs. J. Mark, K. Woo, K. Kovnir 2:30 INOR 436. Layered intergrowth compounds for ultralow thermal conductivity. A. Banik, K. Biswas 2:50 INOR 437. Deposition of solid-state precursors for cobalt-doped zinc oxide. A.W. Apblett, T. Reed 3:10 INOR 438. Investigation of structural and magnetic properties of GdT2Al compounds (T = Sc, Cr, Co). G. Agbeworvi 3:30 INOR 439. Structural and magnetic properties of 4d and 5d double perovskites, SrLaBB’O6 (B = Mg, Mn, Zn; B’ = Ru, Os). A. Bowser, C. Mauws, M. Rutherford, C. Boyer, C. Wiebe, C. Thompson 3:50 INOR 440. Interplay between charge density wave behavior and antiferromagnetic order in the intermetallic single crystal system Eu(Ga1-xAlx)4. M. Stavinoha, J. Cooley, S. Minasian, T. McQueen, S. Kauzlarich, C. Huang, E. Morosan

4:10 INOR 441. Hybrid 2D Dion–Jacobson perovskites and application in solar cells. L. Mao, W. Ke, L. Pedesseau, Y. Wu, C. Katan, J. Even, M.R. Wasielewski, C. Stoumpos, M.G. Kanatzidis 4:30 INOR 442. Data-mined ion substitutions in crystals: Reassessment of Goldschmidt’s rules of ion substitution. O.C. Gagne, R.M. Hazen

TUESDAY EVENING SECTION A Boston Convention & Exhibition Center Exhibit Hall B2/C

Organometallic Chemistry: Synthesis & Characterization-Late Transition Metals N. S. Radu, Organizer 5:30 – 7:30 INOR 443. Experimental thermodynamic studies of displacement of phosphine ligand with pyridine and acetonitrile in iridium pincer complexes. S. Haghighi, M. Findlater INOR 444. Fundamental studies of high- and low-valent nickel compounds. J.B. Diccianni, T. Diao INOR 445. Synthesis and reactivity of a rhenium dioxo complex. A.K. Oanta, T.D. Lohrey, R.G. Bergman, J. Arnold INOR 446. Redox communication in bis(PNP) complexes as a function of the connecting bridge. C. Yu, O. Ozerov INOR 447. Carbazole based non-innocent ligand metal complexes: Synthesis, characterization, and redox behavior. A.M. Lugosan, D. Dickie, M. Zeller, W. Lee INOR 448. Synthesis and characterization of new pincersupported group 9 metal complexes. M. Hung, O. Ozerov INOR 449. Synthesis, characterization, and photophysical properties of cyclometalated N-heterocyclic carbene platinum(II) complexes. F. Mastrocinque, C.M. Anderson, J. Tanski INOR 450. Formation of an iridium benzylidene with azaquinone methide character via alkoxycarbene cleavage. B. Mueller, Y. Zhang, N. Schley INOR 451. Systemic electronic effects of palladium, platinum and other metal-containing phenyl terpy complexes. H. Pigg, M.D. Wheeler, J. Herring, S.K. Hurst INOR 452. Exploiting cyclometalation reactions to yield novel transition metal complexes modeled on structural motifs found in efficient luminescent materials. D.A. Laviska, S.X. Battaglia, D.L. Gamarro, A.G. Rodriguez INOR 453. Catalytic aerobic oxidation of alcohols by copper complexes bearing redox-active ligands with tunable H-bonding groups. K. Rajabimoghadam, I. Garcia-Bosch

SECTION B Boston Convention & Exhibition Center Exhibit Hall B2/C

Organometallic Chemistry: Applications to Materials & Polymer Science N. S. Radu, Organizer 5:30 – 7:30 INOR 454. B(C6F5)3 activated Mo and W oxo alkylidenes for stereospecific ring-opening metathesis polymerization. T. Yan, R.R. Schrock INOR 455. Bimetallic xylyl-linked multi-functional betadiketiminate frameworks and their catalytic activity in ringopening polymerization (ROP). X. Dong, J.R. Robinson

SECTION C Boston Convention & Exhibition Center Exhibit Hall B2/C

Nanoscience B. G. Trewyn, Organizer 5:30 – 7:30 INOR 456. Synthesis of early transition metal oxide nanomaterials and their conversion to nitrides. A.P. Purdy, A. Kastl INOR 457. Improved antimicrobial properties of copper and ascorbic acid based nanoparticle systems: Advanced drugs for a post-antibiotic era. T. Dassanayake Mudiyanselage, S. Huang INOR 458. Atomic scale observation of phase transformation in Ag2S nanoparticles. J. Liu, Y. Wang INOR 459. One-step and controllable synthesis of heteroatom-doped graphene nanosheets by mechanochemical ball-milling. C. Jun-Xiang INOR 460. Vapochromic response of heterometallic nanoparticles in the design of chemical sensors. A.D. Nicholas, F. Barnes, M.A. Sturner, R.D. Pike, H.H. Patterson

INOR 461. Molecular functionalization of MoS2 by a cobalt dithiolene complex. A. Gupta, F. Mujid, J. Park, M.D. Hopkins INOR 462. Robust water soluble gold-carbon nanoparticles as a catalyst for the reduction of 4-nitrophenol. A.A. Ahmad, S. Panicker, A. Mohamed, A.E. Bruce, M.R. Bruce INOR 463. Hydrothermal studies for photophysical properties of hydrochar and biochar materials. A. Alamgir, S. Begum, A. Pramanik, P.C. Ray INOR 464. Towards spin transition composites: Synthesis and analysis of passive/active iron triazole – oxide composites. A. Blanco, T. Rostamzadeh, L. Spinu, J.B. Wiley INOR 465. Palladium nanoparticle-halloysite nanocomposites. Synthesis, characterization and catalytic activity. J. Hamdi, A. Blanco, J.B. Wiley, M. Trudell INOR 466. Fruit based green synthesis of multicolor nanoprobes for tracking breast cancer heterogeneity. S. Begum, A. Pramanik, P.C. Ray INOR 467. Synthesis and characterization of europiumdoped cerium oxide nanotubes as drug delivery vector. A. D’Achille, J.L. Coffer INOR 468. Analysis of sonochemical parameters and various ligands effects on (ZnxAgyInz)S2 synthetic mechanism. S. Yeon, S. Sul, H. Seo, J. Park, J. Jung INOR 469. Self-assembled porphyrin monolayers for non-covalent functionalization of monolayer molybdenum disulfide. A.P. Grorud, F. Mujid, J. Park, M.D. Hopkins INOR 470. Synthesis of zirconium or tantalum-doped titanate nanofibers for enhanced bone tissue engineering. P. Cole, M. Malloy, L. Roeder, Z.R. Tian INOR 471. Multifunctional therapeutic nanoparticles for atherosclerosis. M. Banerjee, B. Surnar, B. Banik, S. Dhar INOR 472. Colloidal synthesis of highly luminescent lithium silicate nanoparticles and their chemical transformation into different crystal structures. E. Eladgham, T.A. Nakagawara, U. Ozgur, D.O. Demchenko, I.U. Arachchige INOR 473. In situ synthesis, photophysical, and catalytic properties of “ligand-less” nanoparticle@FMOF-1 nanostructures formed via liquid phase epitaxy/ripening. B.L. Kamras, M. Omary INOR 474. Tetrafluoroborate surface ligand affects on the plasmonic behavior of copper sulfide nanoparticles. H.K. Le, Z. Zeng, K. Plass

SECTION D Boston Convention & Exhibition Center Exhibit Hall B2/C

Environmental & Energy-Related Inorganic Chemistry S. A. Koch, Organizer 5:30 – 7:30 INOR 475. Evaluation of gas formation and crossover in high voltage lithium-ion batteries with Ni-rich NMC cathodes. T. Christensen, R. Ruther, C. Mao INOR 476. Triplet energy transfer dynamics at the bilayersolvent interface for application in molecular upconversion DSSCs. T. Dilbeck , K. Hanson INOR 477. Investigation of Lewis-acid/metallocene mediated chemical O2 reduction. M.J. Lueckheide, J.R. Robinson INOR 478. Bronsted- and Lewis-acid effects on copper-catalyzed chemical O2 reduction. K.H. Pham, M.J. Lueckheide, J.R. Robinson INOR 479. Host-guest encapsulation of alkali metals by Al-pdc-AA cages. A. May, P. Usov, A.J. Morris INOR 480. Examining the effect of air-sea gas exchange on dissolved oxygen concentrations at varied physical conditions in a wind-wave tank. H.R. Alt, C. Krevanko, E. Lambert, A.W. Smith, B.K. Haus, R.H. Stanley INOR 481. Neurotoxin degradation and phosphorus recovery by molybdenum(VI) complexes through heterogeneous and hom*ogeneous catalysis. L.Y. Kuo INOR 482. Lewis-acid promoted hom*ogeneous electrocatalytic oxygen reduction mediated by molecular Cu-complexes. N.P. Vargo INOR 483. Water oxidation catalysis by manganese oxide/cobalt oxide @iron oxide core−shell nanocomposites. L. Achola, A. Ghebrehiwet, S.L. Suib INOR 484. Ligand functionalization to tune water uptake and stability in metal-organic frameworks. A. Kuznicki, E.D. Bloch, C. Charles INOR 485. Tracking reduced nitrogen from electrocatalytic reduction of nitrate by a Cu-based precatalyst. E.M. Laaker, J.K. Elinburg, R.W. Fulweiler, L.H. Doerrer INOR 486. Fast electron-ion transport in inorganic ionic matrices. A.C. Marschilok, E.S. Takeuchi, K.J. Takeuchi

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TECHNICAL PROGRAM

SECTION F

TECHNICAL PROGRAM

INOR

Boston Convention & Exhibition Center Exhibit Hall B2/C

INOR 509. Redox chemistry of pyridine bispyrrolide iron complexes. B.M. Hakey, C. Milsmann INOR 510. Synthesis and electrochemical characterization of NiATSM derivatives with pendant hindered amine bases. C.A. Calvary, O. Hietsoi, C.A. Grapperhaus, R.M. Buchanan, M.S. Mashuta INOR 511. Ring-size and steric effects on the coordination chemistry of guanidine ligands with late transition metals. B.L. Taylor, N.A. Piro INOR 512. Exploration of group 14 monometallic and bimetallic systems. M. Barrientos, H. Harman INOR 513. Ruthenium polypyridyl complexes with mercaptopurine: Synthesis, characterization and cytotoxicity evaluation. A.O. Rajee, J.A. Obaleye, K.R. Dunbar INOR 514. Intramolecular hydrogen exchange and topological rearrangements at rhenium(V) pentahydride complexes supported by two triphenyl phosphine ligands and an amine. G.A. Moehring, D. Streisel, A. Petrou, A. Scorzelli, B. Macalush INOR 515. Understanding the kinetics and thermodynamics of ligand exchange in porous molecular cages. G.A. Taggart INOR 516. Expanding the synthetic scope of heterobimetallic lantern complexes. L.A. Zuckerman, S.A. Beach, L.H. Doerrer INOR 517. Characterization and reactivity of bimetallic copper(I) complexes towards small molecule activation. M. Bezpalko, W.S. Kassel INOR 518. Exerting extreme π-acidity of organic isocyanide ligands: A nonfluorinated rival of C6F5NC has been discovered. Z.A. Wood, M.D. Hart, J.J. Meyers, N. Gerasimchuk, M.V. Barybin INOR 519. Coordination chemistry of late first-row transition and lanthanide metal complexes with tris(2-pyridyl) phosphine, tris[2-(6-bromopyridyl)]phosphine and associated Au(I)Cl complexes. L. Warring INOR 520. Activity of several ruthenium tris(2-pyridyl) phosphine complexes as water oxidation catalysts. L. Wilkinson, W.S. Kassel, M. Bezpalko INOR 521. Transition metal complexes bearing ligands with secondary sphere hydrogen bonds for small molecule reduction. J. Wilson, N.K. Szymczak

Coordination Chemistry: Synthesis & Characterization

WEDNESDAY MORNING

INOR 487. Synthesis and characterization of deep eutectic solvents (DES) and their application in CO2 capture and solubllization. K. Kazall, S.E. Ahmed, M.M. Abu Siba, H.I. Nimir INOR 488. Metal-modified zirconium phosphate monolayers for the oxygen evolution reaction. M. Ramos-Garces, J. Sanchez, T.F. Jaramillo, J.L. Colon INOR 489. Synthesis, structural characterization, and growth mechanism of Li1+xV3O8 submicron fibers for lithiumion batteries. S. Yue, J. Li, L. Wang, B. Haider, E. Stach, S.S. Wong

SECTION E Boston Convention & Exhibition Center Exhibit Hall B2/C

Electrochemistry N. S. Radu, Organizer 5:30 – 7:30 INOR 490. Composition-dependent electrocatalytic activity of cobalt sulfides for triiodide reduction in dye-sensitized solar cells. M. Kim, J.H. Bang INOR 491. Preparation and characterization of Pt-based alloy nanoparticles with chain-like morphologies for electrocatalytic oxygen reduction reaction. Z. Kong, Z. Wu, S. Shan, S. Yan, J. Luo, G. Yu, C. Zhong INOR 492. Aluminum doped vanadium oxide films: Hydrothermal synthesis and photoelectrochemical properties. S. Alhadmoul, A.A. Alothman INOR 493. New electrochemically active metallocene-based compounds for redox flow battery applications. B. Schrage, Z. Zhao, C.J. Ziegler, A. Boika INOR 494. An electrochemical investigation of the unique redox properties of single atom bridged polyoxometalates using gadolinium as the bridge. J.F. Kirby, I. Tariq INOR 495. Heterogeneous hydrogen evolution with novel nickel ATSM catalysts and the effect of surface morphology. N.S. Vishnosky, A. Gupta, M.S. Mashuta, R.M. Buchanan, G. Gupta, C.A. Grapperhaus

SECTION F

A. Larsen, Organizer 5:30 – 7:30 INOR 496. Solvent orientation in the crystal lattice producing distinct magnetic dynamics in two binuclear Dy(III) polymorphs with a polydentate Schiff base ligand. Z. Jiang INOR 497. Physical and chemical properties of iron 2-oximinocarboxylate complexes. W. Alamier, A.W. Apblett INOR 498. Platinum-based metallosupramolecular nanoparticles designed for cancer therapy. H. Wang, Z. Yue, Z. Qiu, Y. Zheng INOR 499. Di, tri and tertanuclear ruthenium complexes of a heterocyclic and quinonoid bridging ligand: Valence and spin alternatives for the metal/Ligand/ metal arrangement, non-innocence and mixed valency. A.A. Ansari , G.K. Lahiri, W. Kaim INOR 500. Synthesis and characterization of rutheniumhydrazine complexes. A. Peloquin, A. Holland, S.T. Iacono, K.B. Ghiassi INOR 501. Synthesis of lanthanide molybates via reaction of molybdenum(VI) oxide with aqueous acetate salts. K. Alrashidi INOR 502. Palladium complexes featuring a stericallydemanding salan ligand. B. Wile, M.C. Nathaniel, B.M. Nicole INOR 503. Facile and efficient synthesis of thiosemicarbazone derivatives with functionalized pendant amines. A.E. Davis, C.A. Calvary, C.A. Grapperhaus, R.M. Buchanan INOR 504. Synthesis and characterization of new rheniumoxo complexes supported by bidentate phosphine ligands. M.L. Parr, N. Mizgier, A. Thibodeaux, A. Cocco, L. Tran, M. Lu INOR 505. Sensing of cobalt by a simple dipodal Schiff’s base. S. Alamgir, M. Rhaman, A. Hossain INOR 506. Aluminum complexes of nitrogen-based redoxactive ligands. L. Heinzerling, J. Raab, C.R. Graves INOR 507. New Mn/Ln (Ln = Gd, Tb, Dy, Ho) single-molecule magnet families from the introduction of bulky groups into 2-(hydroxymethyl)pyridine. L. Pham, K.A. Abboud, W. Wernsdorfer, G. Christou INOR 508. Polypyridyl complexes of uracil derivatives attached to 2,2’-pyridyl. H. Nguyen, C. Moore, D. Rillema

190

SECTION A Boston Convention & Exhibition Center Room 252A

Chemistry of Materials: Nanomaterials C. G. Lugmair, Organizer G. Dey, Y. Fang, Presiding 8:30 INOR 522. Mechanistic study of drug adsorption to biodegradable hybrid nanoscaffolds using chemical modeling. G. Dey 8:50 INOR 523. Magnetic nanocomposite materials for the archeological waterlogged wood conservation. E. Aluri, E. Shofield, S. Corr 9:10 INOR 524. Nanoparticle-based platforms for glucose detection and interference from sucralose. B. Yust, N. Parenti 9:30 INOR 525. Manipulating subcellular distribution of porous coordination cages for cancer nanotherapy. Y. Fang, H. Zhou 9:50 INOR 526. Light activated nano-antibiotic for biofilm treatment. D. Bagchi, S. Pal 10:10 INOR 527. Environment-friendly alkalis bismuth perovskite nanocrystals with high photo-luminescence quantum yield and high stability. J. Xie, J. Song, W. Lu, W. Chen 10:30 INOR 528. Vapor phase growth of ZnO nanocolumns and the effect of Cu doping on their photoelectric properties, morphology, and structure. T.M. Trad, H. Rivera-Marrer, N. Ohannesian 11:10 INOR 529. Designing ultrastable single quantum emitters for telecom wavelengths. A. Singh, S. Krishnamurthy, Z. Hu, A. Singh, Y. Kim, M. Sykora, H. Htoon, J.A. Hollingsworth 11:30 INOR 530. Low frequency Raman spectroscopy of layered organometal halide perovskites. N. Dahod, W. Paritmongkol, A. Stollmann, W.A. Tisdale 11:50 INOR 531. Site-selective solder deposition on multi-segment nanowires for nanowire joining and bonding. E.S. Fratto, J. Wang, H. Sun, Z. Gu 12:10 INOR 532. Exactly doped semiconductor quantum dots prepared by the cluster seed method. A. Hassan, X. Zhang, C. Liu, P. Snee

SECTION B Boston Convention & Exhibition Center Room 251

Chemistry of Materials: Synthesis & Properties C. G. Lugmair, Organizer J. P. Dombrowski, A. E. Norton, Presiding 8:30 INOR 533. High nuclearity molecular Pb/Mn oxo clusters: Syntheses, structures and magnetic properties. E.B. Earlywine, K.A. Abboud, G. Christou 8:50 INOR 534. Silsesquioxane cages: Syntheses and applications. V. Ervithayasup*rn 9:10 INOR 535. Gold carbene complexes as precursors for gold incorporation in small or medium pore zeolites via metal entrapment during zeolite synthesis. J.P. Dombrowski, M. Kung, H. Kung 9:30 INOR 536. Harnessing Fe (III) carboxylate photochemistry for surface modification on materials. A.E. Norton, J. Karunarathna, G. Giammanco, A. Ostrowski 9:50 INOR 537. In-situ grown metal oxide nanostructured catalysts on substrate for efficient CO oxidation. B. Liu 10:10 Intermission. 10:25 INOR 538. Electrochemical intercalation into layered cluster materials. J.C. Russell, X. Roy 10:45 INOR 539. Synthesis and investigation into the formation mechanism of Ni-Fe layered double hydroxides for oxygen evolution reaction. S. Jaskaniec, C. Hobbs, J. Coelho, D. Tyndall, V. Nicolosi 11:05 INOR 540. Metal hopping and reversible crystal transformation in a cobalt citrate SMM molecular solid. M. Tomas, J. Campo, L.R. Falvello, E. Forcén-Vázquez, I. Mayoral, F. Palacio, C. Sáenz de Pipaón

SECTION C Boston Convention & Exhibition Center Room 213

Coordination Chemistry: Characterization & Applications A. Larsen, Organizer J. A. Phillips, J. J. Wilson, Presiding 8:30 INOR 541. Coordination chemistry to protect against reperfusion injury. J.J. Wilson, J.J. Woods, S.R. Nathan, J. Spivey 8:50 INOR 542. Reduction of high oxidation state nitrogen oxyanions using a pre-reduced redox active pincer ligand. D.M. Beagan, N. Maciulis, M. Pink, K.G. Caulton 9:10 INOR 543. Mediation of a disrupted nitrogen cycle: rational ligand design to promote nitrate and nitrite reduction. A. Cabelof, C. Chen, M. Pink, K.G. Caulton 9:30 INOR 544. Structure, spectroscopy, and reactivity studies of a transient Ru(III) azide. S.V. Park, J.F. Berry 9:50 INOR 545. Ray-Dutt and Bailar twists in Fe(II)-tris(2,2’bipyridine): Spin states, sterics, and Fe-N bond strengths. D. Ashley, E. Jakubikova 10:10 Intermission. 10:20 INOR 546. Structural and energetic properties of H3N–MX3R complexes: Computations and low-temperature IR spectra. J.A. Phillips 10:40 INOR 547. Halogenation affects driving forces, reorganization energies and “rocking” motions in strained [Fe(tpy)2]2+ complexes. D. Ashley, C. Liu, J. González-Delgado, E. Jakubikova 11:00 INOR 548. New chelators capable of supporting multiple Mn oxidation states for biochemically responsive MRI contrast agent. H. Wang, P. Caravan, E. Gale 11:20 INOR 549. Silver(I) complexes of 2,2’ -bipyridine and 1,10-phenanthroline: Synthesis, spectroscopic characterization and antimicrobial properties. M. MonimUl-Mehboob 11:40 INOR 550. Phosphorescent chromophores as sensors of metal ions and oxygen. P. Ceroni, M. Villa, M. Gingras

SECTION D Boston Convention & Exhibition Center Room 212

Environmental & Energy-Related Inorganic Chemistry S. A. Koch, Organizer A. W. Apblett, P. Deria, Presiding 8:30 INOR 551. Super large Stokes shift and “turnon” fluorescent probe for Cu2+ detection. N. Kaewnok, A. Petdum, J. Sirirak, A. Charoenpanich, W. Panchan, S. Sahasithiwat, T. Sooksimuang, N. Wanichacheva 8:50 INOR 552. 3D MnO2 hollow microspheres as ozonation catalysts for elimination of endocrine disrupting compounds in water purification. C. He, Q. Zhang, W. Yang, H. Xu 9:10 INOR 553. Framework-topology controls excitonic properties in MOFs. P. Deria, J. Yu, A. V. Wyk, J. Park

SECTION E Boston Convention & Exhibition Center Room 211

Bioinorganic Chemistry: DNA, RNA & Inorganic Drugs S. A. Koch, Organizer A. M. Angeles Boza, L. A. Yatsunyk, Presiding 8:30 INOR 563. Organometallic iridium(III) complexes: Highly cytotoxic and selective towards colorectal cancers. R. Lord, M. Zegke, I. Henderson, P. McGowan 8:50 INOR 564. At the intersection of host defense peptides and metal ions. A.M. Angeles Boza 9:10 INOR 565. Ruthenium(III) and rhodium(III) dihalide complexes: Showing high potency and cancer cell selectivity for trans isomers. M. Zegke, A. Basri, P. McGowan, R. Lord 9:30 INOR 566. The role of Zn(II) in stabilizing WRKY and treble clef DNA binding domains. M. Cukan, D. Wilcox 9:50 INOR 567. Development of electrochemiluminescent platforms to monitor biomolecule binding phenomena. A. Marangoz, W. Wu, J. Burch, C.L. Grimes, J. Rosenthal 10:10 INOR 568. Structural studies of CAGAGG repeats from difficult-to-replicate regions of the mammalian genome. L.A. Yatsunyk, B. Powell, D. Jordan, Y. Chen, J.B. Chaires, W. Dean, E. Brown 10:30 Intermission. 10:40 INOR 569. Synthesis, spectroscopic characterization, pharmacological investigation and DFT study of ferrocenemodified acyl ureas. F. Asghar, A. Badshah, I.S. Butler 11:00 INOR 570. Selective targeting of microtubules in cultured human cells with simple ruthenium(II) polypyridyl complexes: A new class of microtubule stabilizing agents with potential therapeutic applications. F.M. MacDonnell, N. Alatrash, F. Issa, A.S. Dayoub 11:20 INOR 571. The change of acidity and basicity of damaged DNA base pairs, a DFT study. A. Fattahi 11:40 INOR 572. Ruthenium(II) polypyridyl/N-heterocyclic carbene complexes as cytotoxic pro-drugs. J.P. Selegue, R. Ryan, J. Mahmoud, E.C. Glazer, D.K. Heidary, K.C. Stevens, S. Parkin 12:00 INOR 573. Nontraditional tetrapyrrole complexes as efficient photochemotherapeutic agents with remarkably high phototoxicity indices. J. Rosenthal, A.M. Potocny, M. Martin 12:20 INOR 574. Enzyme-responsive biosensors for the detection of cancer biomarkers. M. Burnett, S. Rodich, K.N. Green

SECTION F Boston Convention & Exhibition Center Room 209

Nanoscience B. G. Trewyn, Organizer T. A. Dreier, P. Kunal, Presiding 8:30 INOR 575. High-yield production of MoS2 and WS2 quantum sheets from their bulk materials. Y. Zhang

8:50 INOR 576. Production of magnetic nanoparticle arrays on surfaces from solution using top-down patterning and bottom-up biotemplating for future nanodevices. R. Jarrald, A. Rawlings, M. Tanaka, M. Okochi, G.J. Leggett, S. Staniland 9:10 INOR 577. Precise placement of nanoparticles in polymer composites via pre-coordination. T.A. Dreier, B. Ringstrand, M.A. Firestone 9:30 INOR 578. Nd3+ activated KY3F10 nanoparticles for high sensitivity nanothermometry. G. Lucchini, P. Cortelletti, M. Pellegrini, L. Rolla, A. Skripka, F. Vetrone, L. Marciniak, D.H. Hreniak, A. Speghini 9:50 INOR 579. Large-area ultrathin metal-oxide semiconductor nanoribbon arrays fabricated by chemical lift-off lithography. C. Zhao, X. Xu, S. Bae, Q. Yang, W. Liu, J.N. Belling, K.M. Cheung, Y.S. Rim, Y. Yang, A.M. Andrews, P.S. Weiss 10:10 INOR 580. Controlled synthesis and characterization of metal alloy nanoparticles and their size-dependent phase diagrams. J. Pinkas, V. Vykoukal, T. Boruvka, A. Kroupa 10:30 INOR 581. Synthesis and catalytic applications of Rh multipod nanoparticles using flow methods and CuM, (M=Rh, Pd) bimetallic nanoparticles in batch reactors under microwave heating. P. Kunal, E.J. Roberts, C. Riche, H. Li, C. Yan, J. Troutman, H. Guo, M. Duncan, N. Malmstadt, R.L. Brutchey, C.J. Werth, G. Henkelman, S.M. Humphrey 10:50 INOR 582. Carbon bond structure in fumed nanodiamonds. H. Kim, K.H. Lee 11:10 INOR 583. Targeting orthotopic gliomas with renalclearable luminescent gold nanoparticles. C. Peng, J. Xu, B. Du, M. Yu, J. Zheng 11:30 INOR 584. Quantifying the thermodynamics of ligand binding to CsPbBr3 quantum dots. S.R. Smock, R.L. Brutchey 11:50 INOR 585. Colloidal synthesis, energy gap tuning, and carrier dynamics of GeSiSn alloy quantum dots with visible to near IR photoluminescence. E.H. Eladgham, T.A. Nakagawara, D.O. Demchenko, U. Ozgur, I.U. Arachchige 12:10 INOR 586. Lewis acidic Z-type ligands and the surface chemistry of nanocrystal materials. N.C. Anderson, J.S. Owen 12:30 INOR 587. Multipolar plasmon expansion for small nanoparticles of arbitrary shapes. M.A. Ochoa

SECTION G Boston Convention & Exhibition Center Room 208

Organometallic Chemistry: Synthesis & Characterization N. S. Radu, Organizer G. Dobereiner, N. A. Piro, Presiding 8:30 INOR 588. Synthesis and ion-pairing properties of moderately-coordinating anions for organometallic chemistry. D.I. Wozniak, W.A. Sabbers, G. Dobereiner 8:50 INOR 589. NHC supported dinuclear nickel(I) hydride monocation complex. Y. Cao, J. Bacsa, J.P. Sadighi 9:10 INOR 590. Synthesis, structure, and reactivity studies on late-metal metallacyclobutene complexes. J.M. O Connor, P. Qin, K. Bunker, R.L. Holland, K.K. Baldridge 9:30 INOR 591. Methodologies to extend the pi conjugation in metallocenes. U.R. Pokharel, J. Bergeron, D. Daigle, J.P. Selegue 9:50 INOR 592. Synthesis and characterization of aluminum-based heterobimetallic complexes. T. Yokley 10:10 INOR 593. Dehydrogenative coupling of 4-substituted pyridines mediated by a zirconium(II) synthon: Reaction pathways and dead ends. L.S. Merz, H. Wadepohl, E. Clot, L.H. Gade 10:30 INOR 594. Exploring N2 activation of [{(PNP) Cl(CO)W}2-μ-N2] with reducing agents and Brønsted acids. N. Maciulis, B. Schluschass, C. Wuertele, M. Pink, S. Schneider, K.G. Caulton 10:50 INOR 595. Copper chemistry associated with oxidation reactions carried out by complexes of a bis(guanidinyl)pyridine ligand. J.E. Allen, B.L. Taylor, N.A. Piro 11:10 INOR 596. Solving key challenges of C2 + N1 aziridination through improved catalyst design. C.L. Keller, J.L. Kern, G. Elpitiya, P.P. Chandrachud, S. Roy, D.M. Jenkins 11:30 INOR 597. Aromatic C–H borylation catalyzed by pincer complexes of iridium. M. Hung, L. Press, O. Ozerov 11:50 INOR 598. Catalytic C(sp2)-H bond activation and stoichiometric oxidation of arenes with O2 mediated by sulfonated PtII pincer complexes: A mechanistic characterization. D.B. Watts, P.Y. Zavalij, A.N. Vedernikov 12:10 INOR 599. Platinum-catalyzed ligand-directed C-H functionalization reactions. S. Huo

12:30 INOR 600. Direct dynamics reveals a blurred line between C-H activation and functionalization mechanistic steps. R. Carlsen, D. Ess

Chemical Applications of Ultrafast X-ray/XUV Spectroscopy & Scattering Theory of Excited-State X-ray Spectra Sponsored by PHYS, Cosponsored by INOR

WEDNESDAY AFTERNOON SECTION A Boston Convention & Exhibition Center Room 252A

Bioinorganic Chemistry: Proteins & Enzymes & Model Systems S. A. Koch, Organizer E. Kim, H. R. Lucas, Presiding 1:30 INOR 601. Phage-displayed inhibitor peptides against Sortase A: A novel antibiotic molecules. N. Ersoz, F. Dudak 1:50 INOR 602. Metal redox chemistry promotes distinct structural assemblies of N-acetylated α-synuclein. H.R. Lucas 2:10 INOR 603. Chemoproteomic interrogations of endogenous bacterial metal-ligation. D. Bak, E. Weerapana 2:30 INOR 604. Selective conversion of CO2 to CO at a single nickel center. Y. Lee 2:50 INOR 605. Kinetic and spectroscopic investigation of oxygen activation at a single iron center via Gibbs free energy coupling: Generation of an active alkane oxidation catalyst. L. Cunningham, J.T. Babicz, W. Tucker, J.L. McCracken, E.V. Rybak-Akimova, E.I. Solomon, J.P. Caradonna 3:10 INOR 606. Role of allosteric activation on the active site properties of phenylalanine hydroxylase (PheH). D. Nolan, G. Anarat-Cappillino, J.L. McCracken, J.P. Caradonna 3:30 INOR 607. Reactivity of late first-row transition metals in a tetrapodal ligand containing a secondary coordination sphere. M.J. Drummond, A.R. Fout 3:50 Intermission. 4:00 INOR 608. Principles of metal selectivity bias in metallothionein metal-thiolate clusters. J. Calvo, V. Lopez, G. Meloni 4:20 INOR 609. Mechanistic studies of a biomimetic small-molecule catalyst capable of O2-dependent alkane oxidations. M. Malloy, W. Tucker, L. Cunningham, J.P. Caradonna 4:40 INOR 610. Uncoupled oxygen activation by the alpha-ketoglutarate dependent oxygenase FIH. M. Knapp, V. Chaplin 5:00 INOR 611. Lewis acid assisted O-atom transfer chemistry with biomimetic molybdenum complexes. L.T. Elrod, S. Chen, E. Kim 5:20 INOR 612. Active site dynamical effects in the hydrogen transfer rate-limiting step in the catalysis of linoleic acid by soybean lipoxygenase-1 (SLO-1): Primary and secondary isotope contributions. S.S. Iyengar 5:40 INOR 613. Revealing ion- and mutation-dependent structure and dynamics in calmodulin’s ion binding sites with ultrafast vibrational spectroscopy. S.C. Edington, C. Baiz

SECTION B Boston Convention & Exhibition Center Room 251

Organometallic Chemistry: Synthesis & Characterization-Late Transition Metals N. S. Radu, Organizer D. C. Powers, Presiding 1:30 INOR 614. Comparing interactions of a threecoordinate Pd cation with common weakly-coordinating anions. D.I. Wozniak, W.A. Sabbers, K. Weerasiri, L. Dinh, J.L. Quenzer, G. Dobereiner 1:50 INOR 615. Molecular cage synthesis and substitution chemistry of rhodium based molecular gyroscopes. A.L. Estrada, J. Bluemel, J.A. Gladysz 2:10 INOR 616. Hume-Rothery inspired bimetallic clusters: Organometallic chemistry at the borderline between molecular compounds and intermetallic solid state phases. J. Hornung, H. Banh, C. Gemel, R. Fischer 2:30 INOR 617. Photosynthesis and direct characterization of reactive metal–ligand multiply bonded intermediates. D.C. Powers 2:50 INOR 618. Divergent synthesis of well-defined copper (0) and copper hydride nanoclusters. J.L. Peltier, R. Jazzar, G. Bertrand

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9:30 INOR 554. Structural analog approach to decode a heterotrimetallic structure. H. Han, Z. Wei, A.M. Abakumov, E.V. Dikarev 9:50 INOR 555. Dye-sensitized hydrobromic acid splitting for solar fuels production. M.D. Brady, L. Troian-Gautier, R. Sampaio, G.J. Meyer 10:10 INOR 556. P-type gallium phosphide particles as hydrogen evolution photocatalysts. Z. Zhao, F.E. Osterloh, E. Willard 10:30 Intermission. 10:40 INOR 557. Computational modeling of earthabundant electrocatalysts featuring macrocyclic redox-active ligands for CO2-to-CO conversion. J. Panetier, K. McCardle, X. Su, J.W. Jurss 11:00 INOR 558. Nontraditional porphyrinoid scaffolds as efficient electrocatalysts for the oxygen reduction reaction. J. Rosenthal 11:20 INOR 559. Approaching the elusive N2 reduction to N2H2: a strategy involving intramolecular H-bonding and PCET. E. Gardner, S. Zhang, C.R. Cobb, S.C. Marguet, H.S. Shafaat, T.H. Warren 11:40 INOR 560. Bioinspired heterogeneous electrocatalysts for CO2 reduction: Energy-efficient carbon-carbon coupling rivaling enzymes. G.C. Dismukes, K.U. Calvinho, A.B. Laursen 12:00 INOR 561. Co-sensitized porphyrin system for highperformance solar cells with TOF-SIMS analysis. J. Li 12:20 INOR 562. Coordination polymers for sorption of arsenic and phosphate from contaminated waters. A.W. Apblett, D. Corter, A.P. Piquette

TECHNICAL PROGRAM

INOR 3:10 INOR 619. “Eppur si muove! And yet it moves!”: The intermolecular dynamic behaviour of multidentate ferrocenyl phosphines and their metal complexes in solution. C.A. Urbina-Blanco, B. Kovács, J. Guilbaud, J.C. Martins, J. Hierso, M. Saeys 3:30 INOR 620. Synthesis, characterization, and reactivity of cationic gold diarylallenylidene complexes and related gold (I) carbene systems. N. Kim, R. Widenhoefer 3:50 INOR 621. Characterization of monomeric copper(I) and silver(I) hydrides. E.A. Romero, P. Olsen, R. Jazzar, M. Soleilhavoup, M. Gembicky, G. Bertrand 4:10 INOR 622. Unsymmetrical dicopper complexes: Synthesis and enhanced reactivity. A. Nicolay, T. Tilley 4:30 INOR 623. Synthesis of cobalt-organoazide adduct complexes and their C−H amination reactivity. Y. Baek, T. Betley 4:50 INOR 624. Synthesis, reactivity, and oxidative rearrangements of a two-coordinate nickel silyl complex. R. Witzke, T. Tilley 5:10 INOR 625. Stepwise reduction of NO3– to N2 at a single nickel center. J. Gwak, Y. Lee

SECTION C Boston Convention & Exhibition Center Room 213

Chemistry of Materials: Synthesis & Properties C. G. Lugmair, Organizer M. Azim, A. Devi, Presiding 1:30 INOR 626. Design, synthesis, and characterization of novel porous coordination complexes. E. Gosselin, C.A. Rowland, E.D. Bloch, K.P. Balto 1:50 INOR 627. Iron β-ketoiminates as a versatile class of precursors for nanostructured iron oxide films via vapor phase and solution based methods. A. Devi, A. Sadlo, D. Peeters 2:10 INOR 628. Ionic liquids as a mold to cast crystalline microporous aluminophosphates. M. Azim, A. Stark 2:30 INOR 629. Ligand-based phase control in porous molecular assemblies. O. Barreda, G. Bannwart, E.D. Bloch 2:50 Intermission. 3:05 INOR 630. Plasmon resonance in low dimensional Sr1-xTiyNb1-yO3+δ nanoparticles. T. Ofoegbuna, P. Darapaneni, W. Shelton, J.A. Dorman 3:25 INOR 631. Investigation of spin dynamics in photodoped Cr:SrTiO3 colloidal nanocrystals. W. Harrigan, K.R. Kittilstved 3:45 INOR 632. Nitrogen and Iron(III) doped TiO2hydrotalcite composites, synthesis and photocatalytic properties. M. Jitianu, A. Hernandez-Mujica, L. Kuhlman, E. Edouarzin, N. O’Connor, A. Jitianu 4:05 INOR 633. Investigation of Pt(II) precursors for electron beam-induced deposition of Pt nanostructures. H. Lu, J.A. Spencer, F. Ferreira da Silva, O. Ingólfsson, H. Fairbrother, L. McElwee-White

SECTION D Boston Convention & Exhibition Center Room 212

Coordination Chemistry: Characterization & Applications A. Larsen, Organizer D. P. Harrison, J. Moberly, Presiding 1:30 INOR 634. Coordination chemistry of phosphonatederivatized ruthenium polypyridyl complexes adsorbed on metal oxide surfaces. D.P. Harrison, M. Raber, M.D. Brady, L. Troian-Gautier, S.L. Marquard, G.J. Meyer, T. Meyer 1:50 INOR 635. Tuning the optical and electrochemical properties of zirconium based molecular photosensitizer. Y. Zhang, D. Leary, C. Milsmann 2:10 INOR 636. Luminescent Cr(0) and Mo(0) Complexes. O.S. Wenger 2:30 INOR 637. Synthesis of targeted heptamethine cyanine dyes as potential PET/NIR multimodal imaging agents and evaluation of their role as oxygen sensors. F. CortezonTamarit, H. Ge, S. Pascu 2:50 INOR 638. Integration of self-assembled metal-organic polyhedra in polymeric mixed-matrix materials for enhanced membrane gas separation. C.P. Fulong, J. Liu, V.J. Pastore, H. Lin, T.R. Cook 3:10 Intermission. 3:20 INOR 639. Obstacles in 1:2 metal-ligand coordination complexes: Approaches to navigating the degree of freedom landscape. S.R. Wolfe, M. Chakraborty, N.J. Rueb, N.A. Johnson, M.F. Roll, K.V. Waynant, J. Moberly 3:40 INOR 640. Solid state synthesis of vanadyl(IV) complexes: Simple design with high potency towards cancerous cells. M. Zegke, H. Spencer, R. Lord

192

4:00 INOR 641. Synthesis and structures of a family of dinuclear silver(I)pyrzolates: Assessment of their antibacterial efficacy against P. aeruginosa with a soft tissue and skin infection model. S. Kandel, I. Chakraborty, J. Stenger, R.G. Raptis 4:20 INOR 642. Syntheses, spectroscopic,crystal structures,biological potency,magnetic and EPR properties of some metal(II) complexes of carboxylate groups and their Co-ligands. J.A. Obaleye, A.A. Ajibola, B. Van Brecht, A. Ozarowski, A.O. Rajee, A.A. Aliyu, O.R. Eso 4:40 INOR 643. Role of charge and oxidation states in the structure and reactivity of a family of bis(imino)pyridine iron alkoxides. S. A. Gonsales, K.R. Delle Chiaie, A.B. Biernesser, M. Thompson, J.A. Byers

SECTION E Boston Convention & Exhibition Center Room 211

Main Group Chemistry T. Hudnall, Organizer G. Pantos, Presiding 1:30 INOR 644. Anionic N-heterocyclic dicarbenes: A surprising connection between N-heterocyclic carbenes and thiolates. Y. Wang, K.M. Luedecke, N.L. Dominique, H. Hickox, G.H. Robinson 1:50 INOR 645. Interaction of xenon trioxide (XeO3) with halide ions. V.G. Hänsch, J.T. Goettel, G.J. Schrobilgen 2:10 INOR 646. Broazatruxenes - stable borazine derivatives with tuneable properties. G. Pantos, S. Limberti, L. Emmett 2:30 INOR 647. Advances in the chemistry of primary phosphines. J.K. West, B.A. Palen, E. Landgreen, T. Bell 2:50 Intermission. 3:00 INOR 648. Associative phosphinidene transfer from dibenzo-7-phosphanorbornadiene compounds. W. Transue, M.B. Geeson, C.C. Cummins 3:20 INOR 649. Phosphorylation using peptide coupling reagents: Synthetic routes to new ligand architectures and bioactive molecules. S.M. Shepard, C.C. Cummins 3:40 INOR 650. Luminescent cyclic amine substituted β-diketones and difluoroboron complexes. F. Wang, D. Song, C.L. Fraser 4:00 INOR 651. Synthesis and ligand-based redox chemistry by molecular group 13 complexes. T. Sherbow, L.A. Berben

SECTION F Boston Convention & Exhibition Center Room 209

Chemistry of Materials: Metal Organic Frameworks C. G. Lugmair, Organizer T. J. Kempa, S. Stoian, Presiding 1:30 INOR 652. Encapsulation of single metal nano-particle in single-crystalline MOFs by controlling surfactants at interface. Y. Li, F. Zhang, X. Liu, C. Tsung 1:50 INOR 653. Dynamic structural flexibility of Fe-MOF-5 evidenced by field-dependent Moessbauer and HFEPR. S. Stoian, M. Dinca, A. Ozarowski, C.K. Brozek 2:10 INOR 654. Quo vadis niobium? Multifaceted coordination behavior of MOF-5. M.D. Korzynski, L. Braglia, E. Borfecchia, A. Baldansuren, C.H. Hendon, C. Lamberti, M. Dinca 2:30 INOR 655. Luminescent conductive metal-organic frameworks. G. Skorupskii, M. Dinca 2:50 INOR 656. Azolate frameworks involving unusual metal nodes. J. Marrett, H.M. Titi, D. Gandrath, I. Huskic, T. Friscic 3:10 INOR 657. Gas-phase synthesis of hierarchically structured and responsive metal-organic frameworks. T.J. Kempa, F.J. Claire, S. Tenney, M. Solomos 3:30 Intermission. 3:45 INOR 658. Investigating UiO-66 based mixed matrix membranes for membrane separations. Y. Katayama, S. Cohen 4:05 INOR 659. Two-dimensional metal-organic frameworks for biomimetic catalysis and bio-related separation. Z. Gu 4:25 INOR 660. Characterization of undercoordinated Zr defect sites and μ3 hydroxyls in UiO-66 with vibrational spectroscopy of adsorbed CO. D.M. Driscoll, D. Troya, P. Usov, A.J. Maynes, A.J. Morris, J.R. Morris 4:45 INOR 661. Creating composite materials by embedding the antimicrobial metal-organic framework MOF199 into a cellulose matrix: A biomimetic adsorbent material for water remediation. D. Kissel 5:05 INOR 662. Welding phthalocyanines into bimetallic molecular meshes for low-power chemiresistive detection. M. Zheng

SECTION G Boston Convention & Exhibition Center Room 208

Environmental & Energy-Related Inorganic Chemistry S. A. Koch, Organizer M. E. Hagerman, D. Villagran, Presiding 1:30 INOR 663. Polyoxovanadate-alkoxide application in non-aqueous redox flow batteries: Solutions for grid-scale energy storage. L.E. VanGelder, A.M. Kosswattaarachchi, T.R. Cook, E.M. Matson 1:50 INOR 664. Water oxidation in refineries as an example of applied solar fuels research. S.W. Sheehan, C. Chen, J.K. Kotyk 2:10 INOR 665. Developing well-defined base metal molecular electrocatalysts for CO2 valorization. J. Luo, B. Hu, T. Liu 2:30 INOR 666. Driving force dependence of iodide oxidation in termolecular {Ru:2I-} ruthenium excited-states. S.A. Wehlin, L. Troian-Gautier, R. Sampaio, G.J. Meyer 2:50 INOR 667. Efficient CO2 reduction using the bismuth alloy Rose’s metal in the presence of room-temperature ionic liquid electrolytes. T. Kunene, A. Atifi, J. Rosenthal 3:10 Intermission. 3:30 INOR 668. Hypervalent iodine oxides and chloride for the conversion of light alkanes to mono-functionalized products: A radical-based process for selective partial oxidation. N. Schwartz, N.C. Boaz, G. Fortman, S.E. Kalman, J.M. Goldberg, R. Fu, R.J. Nielsen, W.A. Goddard, J.T. Groves, T.B. Gunnoe 3:50 INOR 669. Rational design of pyridine-oxazoline ligands in metal-based CO2-reduction catalysts. A.M. Angeles Boza 4:10 INOR 670. Next generation electrolytes for safer sodium ion batteries. P. Fischer, M. Do, M. Srinivasan, F.E. Kuehn 4:30 INOR 671. Morphology and conductivity studies of laponite/single-walled carbon nanotube nanonetworks. M.E. Hagerman, R. Cortez, L. Valdman, D. Dobbs 4:50 INOR 672. Electrocatalytic water splitting with organic macrocycles. D. Villagran, Y. Wu, N. Rodriguez, I. Barraza 5:10 INOR 673. FRET colorimetric fluorescence sensing system based on [5]helicene and rhodamine 6G for selective determining Hg2+ ions. A. Petdum, W. Panchan, A. Charoenpanich, J. Sirirak, V. Promarak, T. Sooksimuang, N. Wanichacheva

Chemical Applications of Ultrafast X-ray/XUV Spectroscopy & Scattering Frontiers in X-ray Methods Sponsored by PHYS, Cosponsored by INOR

WEDNESDAY EVENING SECTION A Boston Convention & Exhibition Center Exhibit Hall B2/C

Organometallic Chemistry: Catalysis N. S. Radu, Organizer 5:30 – 7:30 INOR 674. Highly enantioselective iron-catalyzed synthesis of oxaheterocycles via reduction of ω-haloketones. C.K. Blasius, V. Vasilenko, L.H. Gade INOR 675. Heterogenized fluoro phthalocyanine photocatalysts. M. Pelmus, C. Colomier, H.H. Patel, X.C. Olivia, R. Foglia, M. Suazo, S.M. Gorun INOR 676. Synthesis and reactivity of a structurally welldefined gold(III) complex in a metal-organic framework. J.S. Lee, E.A. Kapustin, D. Toste INOR 677. Toward copper-catalyzed asymmetric P-C bond formation using chiral NHCs. L. Mendelsohn, S. Gibbons, G. Wang, D. Glueck, A.L. Rheingold INOR 678. Synthesis and characterization of new Schrocktype Mo-alkylidene complexes supported by dithiolate ligands. H. Tafazolian, R.R. Schrock INOR 679. Synthesis, characterization, and reactivity of nickel complexes of primary amido-functionalized N-heterocyclic carbene ligands. T.V. Roach, M.L. Schmitz, V.A. Leach, M.D. Miller, B.C. Chan, S.E. Kalman INOR 680. Nickel catalyzed 1,4 -selective hydroboration of pyridines and N-heteroarenes. A. Singh, S.R. Tamang, M. Findlater INOR 681. Kinetics and mechanism of halide exchange between CpRu(PPh3)2Cl and methyl iodide. A. Duran, R.U. Kirss

INOR 703. Coupling UV-Vis and NMR titration models to determine association constants of arylazothioformamide ligands with various copper(I) salts. S.R. Wolfe, M. Chakraborty, N.A. Johnson, N.J. Rueb, C. Kingsley, M.F. Roll, K.V. Waynant, J. Moberly INOR 704. Molybdenum nitride basicity effects on nitrogen reduction. A. Hickey, C. Tsay, P. Mueller, R.R. Schrock INOR 705. Supramolecular complexes of nucleotides with a macrocycle-based molecular host. A. Hossain, M. Rhaman, A. Jahan, D.R. Powell INOR 706. Selective binding of cyanide with a dinuclear metal complex. A. Alamgir, M. Rhaman, D.R. Powell, A. Hossain INOR 707. Cu(II) and Zn(II) complexes of 4-hydroxy-N-((3hydroxy-5-(hydroxymethyl)-2-methylpyridin-4-yl)methylene) benzohydrazide: Synthesis, characterization, DNA binding, DNA cleavage and antibacterial studies. V. Chittireddy INOR 708. Coordination number effects on coppermediated aliphatic carbon-carbon bond cleavage reactions of chlorinated β-diketones. J.G. Elsberg, S. Saraf, L.M. Berreau INOR 709. Transition metal ion encapsulation via micelles of diblock copolymers. C. Chen, A. Ringuette, H. Koota, L. Cai, S.L. Goh, C. Goh INOR 710. Properties, reactivity, and applications of trans-dichlorobis(ethylenediamine)cobalt(III) chloride, trans[Co(en)2Cl2]Cl. C.S. Lin Latt, J.P. Lanorio INOR 711. Organophosphate sensing using the 3d metal coordination complexes. S. Love, I. Bhowmick INOR 712. Transition metal complexes: Toward catalysis and small molecule therapy. E. Delgado, E.R. Paulson, D.B. Grotjahn INOR 713. Development of macrocyclic Fe(III) T1 MRI contrast agents. D. Asik, E. Snyder, J. Spernyak, J.R. Morrow INOR 714. Copper based organometallic light-emitting luminophores. Y. Kim, Y. Lee

SECTION B

Chemistry of Materials

Boston Convention & Exhibition Center Exhibit Hall B2/C

Organometallic Chemistry: Applications to Organic Transformations N. S. Radu, Organizer 5:30 – 7:30 INOR 694. C–C and C–heteroatom coupling reactions at high valent nickel. C. Roberts, N. Camasso, E. Bowes, M.S. Sanford INOR 695. Non-directed C-H activation and formation of C-N and C-O bonds using Cp*Ir and Cp*Rh catalysts. M. Kerr, E. Hickey, E. Mattson, S. Rosario, V. Fratantonio INOR 696. Development of palladium-catalyzed allylation of aromatic imidates. S.R. Waetzig, B. McLernon, P. O’Connor

SECTION C Boston Convention & Exhibition Center Exhibit Hall B2/C

Coordination Chemistry: Characterization & Applications A. Larsen, Organizer 5:30 – 7:30 INOR 697. Density functional theory study of potential NO donors [RuCl(NO)(cyclam)]2+ and [Ru(EDTA)NO]–. J. Jorolan, C. Cabigon INOR 698. Effects of intramolecular spin polarization on the thermodynamic properties of tetraoxolene exchange-coupled systems. S. Li, J.K. McCusker INOR 699. A new set of Cd(II) coordination polymers with mixed ligand of dicarboxylate and pyridyl substituted diaminotriazine: selective sorption towards CO2 and cationic dye. S. Chand INOR 700. Rhodamines-functionalized silsesequioxanes cages as optical sensor for highly sensitive and selective detection of Hg2+ ion in aqueous solution. P. Piyanuch, R. Kunthom, V. Ervithayasup*rn, N. Wanichacheva INOR 701. A highly selective ON-OFF fluorescence detection of Cu2+ ions in aqueous solution based on core-substituted naphthalene diimides (cNDIs). P. Praikaew, S. Langford, S. Maniam, J. Sirirak, N. Wanichacheva INOR 702. Aluminium and titanium metal complexes: Synthesis, characterisation and their application in ring opening metathesis polymerisation (ROMP). R. Lord, F. Janeway, P. McGowan

SECTION D Boston Convention & Exhibition Center Exhibit Hall B2/C C. G. Lugmair, Organizer 5:30 – 7:30 INOR 715. Stable hom*o-interpenetrated triazolate-based MOF for H2 storage. Q. Wang, H. Zhou INOR 716. Fabrication of ε-Fe2N catalytic sites in porous carbons derived from an iron−triazolate crystal. Y. Fujiwara, M. Tsujimoto, K. Kanokwan, N. Tobori, S. Horike, S. Kitagawa INOR 717. Highly sensitive, transparent, and flexible temperature sensors based on silver fractal dendrites. J. Kim, Y. Lee INOR 718. Silver nanoparticle inks for fine patterns using reverse offset printing. K. Park, Y. Lee INOR 719. Design and applications of dendritic ligands for nanoparticle stability, assembly, and property tuning. K.C. Elbert, J.D. Lee, N.M. Krook, D. Jishkariani, Y. Wu, C.B. Murray INOR 720. Porous gold nanoparticles for inhibiting viral membrane fusion of Influenza A virus. J. Kim, S. Haam, D. Song INOR 721. Design of extended phosphonate ligands to increase porosity and stability of metal-organic frameworks. W.S. Pantoja Romero, V. López-Mejias INOR 722. Efficient thermal atomic layer deposition process enhancing by precursors containing long chains electrondonating ligand. Y. Zhang, L. Du, Y. Ding INOR 723. Modified silicon nanoparticles as advanced anode materials and the improved electrochemical performance for lithium-ion battery. N. Bao, Y. Liu, C. Zhong, J. Tian INOR 724. Synthesis and characterization of ZnO nanoparticles and their use to photocatalyze the degradation of malachite green. A.E. Harris, C.C. Pena, J.E. Cowan, J.D. Harris INOR 725. Electrochemiluminescence of Ru doped metalorganic frameworks. Q. Loague, M. Cai, A.J. Morris INOR 726. Thermal decomposition of (Cat+)2[WSe4] for facile formation of WSe2. J. Kim, B. Park, T. Chung, C. Kim INOR 727. Electrochemical reductive grafting and photothermal properties studies of bis(diazonium) gold(III) salts. S. Isah, B. Workie, A. Marcano, S. Panicker, A. Mohamed INOR 728. Mesoporous NNN-pincer metal-organic framework as readily prepared noble metal-free catalyst. Y. Zhang, J. Li, X. Yang, H. Zhou

INOR 729. 2-Hydroxy-4-methoxybenzophenone-5-sulfonate intercalated layered double hydroxide: 2D restriction-induced luminescence and its application as a fluorescent biosensor. J. Lu, R. Ma, P. Zhang INOR 730. Synthesis and design of new type 3 porous liquids. J. Cahir, M. Tsang, S. James, J. Jacquemin, D. Rooney INOR 731. Zeolite-supported bismuth oxyiodide visiblelight-active photocatalysts for dehydrodimerization of cyclohexane. R. Arthur, R. Warner, C. Vaughn, J. Hamilton, H.H. Patterson INOR 732. Solvothermal synthesis of FeSe-SrTiO3 nanocomposites and their magnetic properties. K. Kim, S. Huh, K. Song, H. Park, Y. Sur, K. Kim, N.H. Hur INOR 733. Solvent-free synthesis of nitrogen-doped carbon sheets derived from glucose for CO2 capture. K. Lee, S. Lee, H. Kim, S. Bang, B. Lee, N.H. Hur INOR 734. Fabricating iron oxide magnetic features using an iron MOD coordination complex by inkjet printing. O. Almalki, S. Williams INOR 735. Effect of nitro group on the photophysical properties of porphyrin dyes. A. Aggarwal INOR 736. Atmospheric-pressure sulfur-based microplasma for material synthesis. F. Zoghieb, S. Stephen, S. Al Hassan INOR 737. Solution phase synthesis of highly crystalline Bi chalcogenide nanostructured materials. V.V. Pillai, V. Tzitzios, S. Stephen, S. Al Hassan INOR 738. Red phosphorus thin films for energy applications. P. Martins Amaral, H. Ji, G. Schwenk INOR 739. Using metal-organic frameworks as multifunctional platforms for the studies of medicinal and cosmetic materials. M. Zhuo, Y. Chen INOR 740. Solvothermal synthesis of pure-phase NU-901: The effects of zirconium salt and carboxylic modulator components on MOF topology and phase purity. S.J. Garibay, T. Islamoglu, O.K. Farha, J. DeCoste INOR 741. Synthesis and characterization of lead halide perovskites for solid state lighting. E.T. Nguyen, D.A. Hardy, R.A. Tigaa, G.F. Strouse INOR 742. Conductivity of borane salts: Characteristics of amino borane cages and hydroxylated versions. D. Stasko, G. Bosworth, C. Hillebrand, J.N. Woodford INOR 743. Incorporation of corrole and porphyrin based ligands into metal-organic frameworks. J. Alatis INOR 744. Comparative toxicity of ZnO nanoparticles synthesized using different amines. J.D. Harris, C.C. Pena, J.E. Cowan, K. Cornell INOR 745. Study of haziness in silica wet-gels and in mechanically strong, thermally insulating polymer-crosslinked aerogels. C. Mandal, S. Donthula, C. Sotiriou-Leventis, N. Leventis INOR 746. Structural reorganization of silica wet-gels upon drying: Why aerogels shrink? C. Mandal, S. Donthula, C. Sotiriou-Leventis, N. Leventis INOR 747. Design and synthesis of WO(OR)3L precursors for chemical vapor deposition of WOx films. X. Su, D.C. Bock, L. McElwee-White INOR 748. Sturdy, monolithic SiC and Si3N4 aerogels from compressed polymer-crosslinked silica xerogel powders. P. Rewatkar, T. Taghvaee, A. Saeed, S. Donthula, C. Mandal, N.K. Chandrasekaran, T. Leventis, S. T. K., C. Sotiriou-Leventis, N. Leventis INOR 749. Fabrication and characterization of ceriumcopper-silica and cerium-copper-alumina catalytic aerogels. T.F. Andre, M.K. Carroll, A.M. Anderson, B.A. Bruno INOR 750. Electrode-assisted synthesis (EAS) of metalorganic frameworks. A. Antonio, E.D. Bloch, J. Rosenthal INOR 751. Functionalization of UiO-66 MOF composites to enhance catalytic performance for the photoelectrochemical water splitting cell. J.J. Shanahan, D.S. Kissel, J.J. Keleher INOR 752. Exploring the electrosynthesis of MIL-100(Fe) derivatives. A.I. Arnoff, E.D. Bloch, J. Rosenthal INOR 753. Heterodinuclear metal-organic framework materials for photocatalytic carbon dioxide reduction. H. Brooks, B. Yan

SECTION E Boston Convention & Exhibition Center Exhibit Hall B2/C

Organometallic Chemistry: Synthesis & Characterization-Early Transition Metals N. S. Radu, Organizer 5:30 – 7:30 INOR 754. Reimagine early transition metal luminescent metallocenes with built-in redox-active ligands. P.N. Do, M.E. Nally, Y. Zhang, C. Milsmann INOR 755. Constructing a scandocene donor series with 45 Sc solid state NMR. D. Culver, W. Huynh, M.P. Conley

193

TECHNICAL PROGRAM

INOR 682. Catalytic upgrading of ethanol using pincer type complexes. R.M. Padilla, E. Christensen, M. Nielsen INOR 683. Catalytic synthesis of “super” linear alkenyl arenes using a Rh(I) catalyst supported by a “capping arene” ligand: Access to aerobic catalysis. J. Chen, R.J. Nielsen, W.A. Goddard, B.A. McKeown, T. Gunnoe INOR 684. Theoretical study on the reaction mechanisms of platinum-catalyzed acylation reaction. E. Warden, L.J. Bartolotti, Y. Li, S. Huo INOR 685. Palladium-catalyzed allylic alkylation of 2-aryl1,3-dithianes, an umpolung synthesis of β,γ-unsaturated ketones. N. Trongsiriwat INOR 686. Synthesis of high oxidation state Mo=CHX complexes (X = Cl, CF3, CN) relevant to Z-selective electron poor olefin metathesis. S. VenkatRamani, K. Bukhryakov, R.R. Schrock, A.H. Hoveyda, C. Tsay, P. Mueller INOR 687. Synthesis of molybdenum oxo alkylidene complexes through addition of water to alkylidyne complexes. F. Zhai, K. Bukhryakov, R.R. Schrock INOR 688. Zirconium MOF hydrates: Remediating organophosphorus contaminants. Y. Kalinovskyy, B. Blight, S.J. Holder, N.J. Cooper, M. Main INOR 689. Study of axial steric effects on reductive elimination from (PNP)RhIII complexes. S. Gu, K.H. Taylor, J. Chen, G. Fortman, R.J. Nielsen, W.A. Goddard, T. Gunnoe INOR 690. Exploring C–N coupling promoted at group 4 metal centers. D. Javier-Jimenez, A. Kreider-Mueller, D.R. Manke INOR 691. Comparative nitrene-transfer chemistry to olefinic substrates mediated by a library of anionic Mn(II) triphenylamido-amine reagents and M(II) congeners (M = Fe, Co, Ni): An experimental and computational study. Z. Sun, A. Kalra, T.R. Cundari, P. Stavropoulos INOR 692. Chemical and electrochemical activation modes of a [Cp*Rh] monohydride. E. Boyd, K.V. Prather, D. Lionetti, J.D. Blakemore INOR 693. Multifunctional aryloxide β-diketiminate rareearth complexes for the ring-opening polymerization of cyclic esters. K.C. Casey, J.K. Appiah, J.R. Robinson

TECHNICAL PROGRAM

INOR/MEDI SECTION F Boston Convention & Exhibition Center Exhibit Hall B2/C

Inorganic Spectroscopy C. Popescu, Organizer 5:30 – 7:30 INOR 756. Magnetic effect on photoluminescence in lanthanide-doped nanospinels. M.C. Ellis, D. Hardy, R.A. Tigaa, S. McGill, G.F. Strouse, N.S. Dalal INOR 757. Alkyl arylinium iodocuprate networks: Structural and spectroscopic diversity. R.D. Pike, A.M. Wheaton, A.D. Nicholas, F. Barnes, H.H. Patterson INOR 758. Exploring Al speciation and interactions in caustic conditions by accurate 27Al NMR shielding tensor calculations. E. Martinez Baez, C. Pearce, G.K. Schenter, A.E. Clark INOR 759. Optical memory in 1D chain noble metal thiocyanate complexes. A.D. Nicholas, B.A. Otten, M.A. Omary, R.D. Pike, H.H. Patterson INOR 760. Non-covalent interactions of halides with a nitrophenyl-functionalized hexaurea receptor. M.H. Hasan, B. Portis, C.R. Johnson, A. Gardner, R. Tandon, A. Hossain INOR 761. Spectroscopic studies of a dinuclear copper(II) complex for halide binding. M. Rhaman, M.H. Hasan, A. Hossain INOR 762. Using 207Pb NMR to investigate temperature dependent nuclear spin relaxation and Pb-O bond covalency in relaxor ferroelectrics. C.E. Avalos, B. Walder, L. Emsley

SECTION G Boston Convention & Exhibition Center Exhibit Hall B2/C

Bioinorganic Chemistry: Proteins & Enzymes & Model Systems S. A. Koch, Organizer 5:30 – 7:30 INOR 763. Reduction coordination thermodynamics: Developing and applying a method to quantify metalloprotein electron transfer thermodynamics using copper proteins. K. Connelly, M.L. Croteau, D. Wilcox INOR 764. Modulating the catalytic activity of bioorthogonal nanozymes through surface engineering. R. Cao-Milán, L.D. He, S. Shorkey, G. Tonga, L. Wang, X. Zhang, I. Uddin, R. Das, M. Sulak, V.M. Rotello INOR 765. Development of photoactivatable sensors for detecting mobile zinc. F. Wang, J.M. Goldberg, C.D. Sessler, N.W. Vogler, D.Y. Zhang, W.H. Loucks, T. Tzounopoulos, S.J. Lippard INOR 766. Spectroscopic studies of hCtr1 model peptides reveal an essential role of aspartate-2 in Cu(II) reduction. M. Matthews, K.L. Haas INOR 767. Binding thermodynamics and structural stability: The effect of native and non-native metal ions on the periplasmic mercury metallochaperone, MerP. M. Mehlenbacher, H. Wahba, J.G. Omichinski, D. Wilcox INOR 768. Modeling NO and O2 signaling via synthetic [4Fe-4S] clusters. A. Thibodeaux, R. Lehane, E. Kim INOR 769. A method for selective depletion of Zn(II) ions from complex biological media and evaluation of cellular consequences of Zn(II) deficiency. C.E. Richardson, L. Cunden, V. Butty, E.M. Nolan, S.J. Lippard, M. Shoulders INOR 770. Cu - directed hydroxylation of sp2 C-H bonds. R. Trammell, I. Garcia-Bosch INOR 771. Synthesis and reactivity of new [2Fe-2S] clusters to study the role of mitoNEET proteins. K. Ferguson, K. Sterling, E. Kim INOR 772. Spectroscopic and computational studies of a Co(II)-substituted small molecule mimic of superoxide dismustase. N. Stracey, M. Murray INOR 773. Multiple copper binding sites on human copper transporter 1. E. Slogar, K.L. Haas INOR 774. Nitrate and perchlorate reduction via Lewis-acid assisted oxygen atom transfer by biomimetic Mo complexes. S. Chen, L.T. Elrod, E. Kim INOR 775. Kinetics of gold(I) assisted thiolate-disulfide exchange in aqueous media. S. Pokhrel, G.S. Garusinghe, A.E. Bruce, M.R. Bruce INOR 776. Self-assembled peroxidase mimic from guanosine 5’-monophosphate and hemin. D. Harraz, J. Davis

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THURSDAY MORNING Chemical Applications of Ultrafast X-ray/XUV Spectroscopy & Scattering Photocatalysis & Photovoltaics Sponsored by PHYS, Cosponsored by INOR

MEDI

Division of Medicinal Chemistry A. Stamford, Program Chair OTHER SYMPOSIA OF INTEREST: Diminutive Molecules, Big Impact: The Chemistry of ADC Linker-Payloads (see ORGN, Wed) Drug Design (see COMP, Tue, Wed, Thu ) Frontiers in Organofluorine Research for Biological Chemistry & Drug Discovery (see BIOL, Wed) Glycoprotein & Carbohydrate-Based Drugs for Human Health (see CARB, Tue, Wed) Nanomaterials in Drug Delivery: Efficacy & Toxicity Considerations (see TOXI, Wed) SOCIAL EVENTS: MEDI Posters & Social, 7:00 PM: Sun, Wed MEDI Hall of Fame Reception, 5:30 PM: Tue BUSINESS MEETINGS: Business Meeting, 5:30 PM: Sun

9:10 MEDI 9. Design, synthesis, and evaluation of nonretinoid retinol binding protein 4 antagonists for the potential treatment of atrophic age-related macular degeneration and Stargardt disease. C. Cioffi, K. Petrukhin 9:30 MEDI 10. Discovery of novel quinoline sulfonamide derivatives as potent, selective and orally active RORγ inverse agonists. D. Potin, J. Amaudrut, M. Argiriadi, M.M. Barth, E. Breinlinger, D. Bressac, P. Broqua, D.J. Calderwood, M. Chatar, K.P. Cusack, S.B. Gauld, S. Jacquet, R.V. Kamath, V. Lepais, J. Luccarini, P. Masson, C. Montalbetti, L. Mounier, O. Poupardin, S. Rouaud, C.D. Wallace 9:50 MEDI 11. Development of thienopyridines as potent antiproliferative agents. D. Barker, L.I. Pilkington, M. van Rensburg, N.A. Haverkate, J. Reynisson, W.A. Denny, E. Leung 10:10 MEDI 12. Development of 4-oxazolidinone natural products as infectious disease lead compounds. J.G. Pierce 10:30 MEDI 13. Discovery of inhibitors of sirtuin and PARP enzymes from a DNA-encoded chemical library designed to target NAD+-binding pockets. R.M. Franzini, L. Yuen, S. Dana 10:50 MEDI 14. Complex-selective HDAC inhibitors promote synaptic resilience for therapeutic treatment of neurological disorders. N.O. Fuller, M.C. Hewitt, M. Ivarsson, J.A. Lowe, B. Lynch, T. McKee, A. Pirone, M. Quinton, A. Rosenberg 11:10 MEDI 15. Discovery of a novel pyrrolobenzodiazepine DNA-alkylator as an efficacious ADC payload. B. Wei, J. Dela Cruz Chuh, D. Zhang, Y. Ma, J. Chen, T. Pillow, P.S. Dragovich 11:30 MEDI 16. Medicinal chemistry centric approach to studying the delivery of diverse pyrrolobenzodiazepine dimers via antibody-drug conjugate technology. L.R. Staben 11:50 MEDI 17. Accelerating multiple medicinal chemistry projects using matched molecular pair analysis for knowledge based design: A review from the past 8 years of use at the front line. A. Dossetter, E.J. Griffen, A.G. Leach, S. Montague

Merck Research Award Symposium

SUNDAY MORNING SECTION A Boston Convention & Exhibition Center Room 210 B/C

Small-Molecule Approaches to the Treatment of Inflammatory Bowel Disease K. S. Currie, Organizer, Presiding 8:30 Introductory Remarks. 8:35 MEDI 1. Oral peptide macrocycle antagonists of integrin α4β7 for the treatment of IBD. A.L. Roughton, M. Pérez Vázquez, M.M. Morshed, A.P. Kafal, R. Mendoza Sanchez, Y. Boutin, A.K. Yudin, L. Bergeron, J.A. Coull 9:05 MEDI 2. Discovery & development PTG-100, an oral peptide antagonist of α4β7 integrin, for the treatment of inflammatory bowel disease. A. Bhandari 9:35 MEDI 3. Small molecule approaches to the treatment of IBD. G.D. Glick 10:05 Intermission. 10:15 MEDI 4. Small-molecule antagonists targeting the NLRP3 inflammasome for treatment of inflammatory diseases. W.R. Roush, D. Shen, S. Venkatraman, J. Katz, E.J. Olhava, K. Byth, D. Winkler, A. Stutz, D. Bertheloot, S. Braams, A. Kitanovic, I. Kitanovic, P. Trippner, B. Sanchez, X. Lu, L. Franchi, E. Latz, S. Ghosh, D. Dean, A. Opipari, M. Seidel, G.D. Glick 10:45 MEDI 5. Discovery of a cross-species potent and selective inhibitor of receptor-interacting protein kinase 1 (RIPK1) providing protection in a Nemo deletion model of IBD. S.D. Patel 11:15 MEDI 6. BT-11: A new first-in-class oral therapeutic for Crohn’s disease and ulcerative colitis that targets LANCL2. R.D. Gandour, J. Bassaganya-Riera

SECTION B Boston Convention & Exhibition Center Room 210A

General Oral Session A. W. Stamford, Organizer M. Lu, Presiding 8:30 MEDI 7. Impact of synthetic chemistry methodologies in drug discovery. J. Boström, D.G. Brown, R. Young, G.M. Keseru 8:50 MEDI 8. Rank ordering compound designs for synthesis: When do methods work and what are some known limitations? K.P. Cusack, M. Argiriadi, E. Breinlinger, J. Edmunds, D.M. George, F. Michael, M.Z. Hoemann

Sponsored by WCC, Cosponsored by ANYL, COMP, MEDI and PROF

Bioactives & Neurodegenerative Diseases Sponsored by AGFD, Cosponsored by MEDI

SUNDAY AFTERNOON SECTION A Boston Convention & Exhibition Center Room 210 B/C

Awards Session ACS Award for Creative Invention Cosponsored by PROF A. W. Stamford, Organizer, Presiding 1:30 MEDI 18. Award Address (ACS Award for Creative Invention sponsored by the ACS Corporation Associates). Design of kinase inhibitor medicines utilizing protein-ligand structures and property-based efficiency. R. Kania 2:10 MEDI 19. Discovery of AZD4573, a potent and selective inhibitor of CDK9 that enables transient target engagement for the treatment of haematological malignancies. J.G. Varnes, B. Barlaam, C. De Savi, L. Drew, A. Ferguson, D. Ferguson, C. Gu, J. Hawkins, A. Hird, M.L. Lamb, N. O’Connell, K. Pike, T. Proia, M. San Martin, M. Vasbinder, J. Wang, W. Shao 2:35 MEDI 20. Hit-selection and optimization strategy en route to FGF401, a reversible-covalent inhibitor of FGFR4 for the treatment of hepatocellular carcinoma. T. Knoepfel, P. Furet, P. Nimsgern, S. Ripoche, M. Kiffe, C. Leblanc, N. Buschmann, R. Mah, D. Graus-Porta, A. Weiss, M. Wartmann, I. Galuba, J. Trappe, R.A. Fairhurst 3:00 MEDI 21. Discovery of ORIC-101, a potent and selective glucocorticoid receptor antagonist. Y. Rew, X. Du, J. Eksterowicz, H. Zhou, N. Jahchan, L. Zhu, H. Kawai, X. Yan, L.R. McGee, J.C. Medina, T. Huang, C. Chen, T. Zavorotinskaya, D. Sutimantanapi, J. Waszczuk, E. Jackson, E. Huang, Q. Ye, V. Fantin, D. Sun 3:25 MEDI 22. Structure based design: Identification of the clinical candidate ABBV-744, a first-in-class highly BDII-selective BET bromodomain inhibitor. L. Wang, G.S. Sheppard, S.D. Fidanze, L.A. Hasvold, D. Liu, J.K. Pratt, M. Bui, E. Faivre, X. Huang, X. Lin, D. Wilcox, Y. Shen, D.H. Albert, W. Kati, K.F. Mc Daniel 3:50 MEDI 23. Developing inhibitors of BRAF and RAS mutant cancers. K. Dalby

SECTION B Boston Convention & Exhibition Center Room 210A

Emerging Trends in Target Identification N. A. Meanwell, Organizer A. K. Mapp, S. Niessen, P. M. Scola, K. Yeung, Organizers, Presiding 1:30 Introductory Remarks. 1:35 MEDI 27. Enabling chemical biology in oncology discovery. S. Niessen 2:10 MEDI 28. Revealing the druggable genome using chemical proteomics. L. Jones 2:45 MEDI 29. Expanding the druggable proteome: Ligand and target discovery by fragment-based screening in cells. C. Parker, A. Galmozzi, Y. Wang, B. Correia, E. Saez, B. Cravatt 3:20 MEDI 30. Target class platform accelerates deubiquitinase early discovery efforts. S. Buhrlage, E. Weisberg, N. Schauer, X. Liu, J. Yang, I. Lamberto 3:55 MEDI 31. Molecular visualization of tissues by MALDI imaging MS: Applications in drug discovery and development. S. Castellino

Structures & Functions of Glycans Sponsored by CARB, Cosponsored by ANYL, BIOL, CELL, MEDI and ORGN

Bioactives & Neurodegenerative Diseases Sponsored by AGFD, Cosponsored by MEDI

SUNDAY EVENING SECTION A Boston Convention & Exhibition Center Exhibit Hall B1

General Poster Session A. W. Stamford, Organizer 7:00 – 9:00 MEDI 32. Drug repurposing for schistosomiasis with assay central. K.M. Zorn, E.K. Chen, C.L. McConnon, A. Clark, C.R. Caffrey, S. Ekins MEDI 33. Diaminopurines: structure activity relationships and structure property relationships towards a lead for human African trypanosomiasis inhibitors. B. Singh, R. Diaz, G. Ceballos, D. Rojas, M. Martinez-Martinez, P. ManzanoChinchon, M. Navarro, M.P. Pollastri MEDI 34. SAR exploration of a novel series of compounds for human African trypanosomiasis. M.J. Buskes, R. Diaz, G. Ceballos, M. Navarro, M.P. Pollastri MEDI 35. Extraction and characterisation of an anti trypanonsomal compound from the seeds of Cassia occidentalis. S.A. Ogbuagu MEDI 36. Optimization of pyrazolo[1,5-b]pyridazines for the treatment of human African trypanosomiasis. W. Tear, S. Bag, R. Diaz, G. Ceballos, C. Cordon-Obras, D. Rojas, M. Martinez-Martinez, P. Manzano-Chinchon, M. Navarro, M.P. Pollastri MEDI 37. SAR and ADME optimization of pyrazolopyridinebased human PDE4 inhibitors for human African trypanosomiasis. A. Spaulding, R. Leurs, H. de-Koning, D. Brown, M.P. Pollastri

MEDI 38. Hit-to-lead optimization of 3,5-disubstituted-7azaindoles for human African trypanosomiasis. D. Klug, L. Silva, K.C. Forbes, R. Diaz, G. Ceballos, C. Cordon-Obras, M. Martinez-Martinez, P. Manzano-Chinchon, M. Navarro, M.P. Pollastri MEDI 39. Repurposing as a strategy for the discovery of a new antileishmanial. R. Charlton, P.G. Steel, P. Denny, B. Rossi Bergmann MEDI 40. Probing key elements of teixobactin-lipid ii interactions in membrane. P. Wen, J.M. Vanegas, S.L. Rempe, E. Tajkhorshid MEDI 41. Design and synthesis of dual-acting quorum sensing inhibitors to suppress the virulence program of Pseudomonas aeruginosa. A. Hossain, N.A. German MEDI 42. TAT-functionalized pH-sensitive liposomes for the treatment of bacterial meningitis. C. Bartomeu Garcia, D. Shi, T. Webster MEDI 43. Strategies for restoring β-lactam activity against antibiotic resistant bacteria. M.A. Boudreau MEDI 44. Bio-orthogonal chemistry-based approach for targetted treatment of bacterial infections. N. Yee, J. Mejia Oneto, M. Royzen, K. Wu MEDI 45. Development of aminoglycoside resistance enzyme inhibitors as a means to rescue antibiotic activity. M.R. Leung, K.C. Leckett, X. Li, A. Chaudhry, M. Keramane, A. Capretta MEDI 46. Specific structure variations of chimera ligand molecules for controlling bacterial drug-tolerance and persister formation. F. Burns, Y.Y. Luk MEDI 47. Non-traditional antibiotic strategies targeting siderophore utilization in human pathogenic Acinetobacter baumannii. T. Bohac, J.A. Shapiro, T.A. Wencewicz MEDI 48. Semisynthetic analogues of anhydrotetracycline as potential inhibitors of tetracycline destructase enzymes. J.L. Markley, L. Fang, A.J. Gasparrini, C.T. Symister, H. Kumar, G. Dantas, N. Tolia, T.A. Wencewicz MEDI 49. Potentiating pencillins, carbapenems, and cephalosporins to kill MRSA. C.V. Rice, M. Foxley, A.K. Lam, A. Ly, M. Harney, E. Moen, B.A. Wilson MEDI 50. Discovery of indole- and indazoleacylsulfonamides as potent and selective Nav1.7 inhibitors for the treatment of pain. G. Luo, L. Chen, A. Easton, A. Newton, C. Bourin, E. Shields, K. Mosure, M. Soar, R. Knox, M. Matchett, R. Pieschl, D. Post-Munson, S. Wang, J. Herrington, J. Graef, K. Newberry, L. Bristow, N. Meanwell, L.A. Thompson, C.D. Dzierba MEDI 51. Discovery of new indole-based acylsulfonamide Nav1.7 inhibitors. Y. Wu, B. Venables, J. Guernon, J. Chen, S. Sit, R. Rajamani, R. Knox, M. Matchett, R. Pieschl, J. Herrington, L. Bristow, N. Meanwell, L. Thompson, C.D. Dzierba MEDI 52. Structure-based design to improve the selectivity of kinase inhibitors in cancer therapy. A. Assadieskandar, C. Yu, C. Zhang MEDI 53. Design and synthesis of selective imidazo[1,2-b] pyridazine and pyrazolo[1,5-a]pyrimidine inhibitors of leucine-rich repeat kinase 2 (LRRK2) using a checkpoint kinase 1 (CHK1)-derived crystallographic surrogate. S.C. Ray MEDI 54. Quantitative characterization of bivalent probes for the dual bromodomain protein transcription initiation factor TFIID subunit 1, TAF1. J.L. Suh, B. Watts, J.I. Stuckey, J.L. Norris-Drouin, S.H. Cholensky, B.M. Dickson, Y. An, S. Mathea, E. Salah, S. Knapp, A. Khan, A.T. Adams, B.D. Strahl, C.A. Sagum, M.T. Bedford, L.I. James, D. Kireev, S.V. Frye MEDI 55. Nanoparticles with targeting and ROS triggering properties as an antigen delivery system. X. Liang, J. Duan, Y. Chen, H. Li, C. Li, J. Yang MEDI 56. Identification of receptor interacting protein kinase 3 (RIPK3) type II inhibitors using highthroughput mechanistic studies in hit triage. A.C. Hart, L.M. Abell, C. Weigelt, J. Guo, M. Mertzman, C. Chaudhry, H. Lu, R. Padmanabha, M. Pokross, K. Kish, A. Douglas, D. Columbar, P. Zhang, B. Carpenter, J.E. Macor, W.J. Pitts MEDI 57. Application of organocatalysis in bioorganometallic chemistry: Asymmetric synthesis of multifunctionalized spirocyclic pyrazolone-ferrocene hybrids as novel RalA inhibitors. B. Han, W. Huang, C. Peng MEDI 58. Organocatalytic cascade reaction for asymmetric synthesis of novel chromane-fused spirooxindoles that potently inhibit cancer cell proliferation by inhibiting MDM2-p53 interaction. W. Huang, B. Han, C. Peng MEDI 59. Discovery of EOS789: A novel inhibitor of NaPi-IIb, Pit-1 and Pit-2 for hyperphosphatemia. N. Hori, A. Kimbara, N. Okamoto, Y. Murata, Y. Ohtake, Y. Ono, S. Tanaka, E. Mizuguchi, T. Harada, K. Tachibana, M. Ide, K. Nomura, H. Kashiwagi, R. Hirokane, K. Morikami, S. Ohtomo, Y. Ichida, Y. Tsuboi, N. Horiba, K. Yamaguchi, T. Takahashi

MEDI 60. Novel conformational-restricted endocannabinoid probes with improved metabolic stability. L. Ji, S. Nikas, Y. Liu, M. DSouza, S.N. Kudalkar, O. Benchama, A. Korde, C. Honrao, S. Mallipeddi, S. Wu, S. Xu, N. Zvonok, L.J. Marnett, A. Makriyannis MEDI 61. Mono and bifunctional cannabinoid receptor probes. S. Jiang, S. Nikas, C. Iliopoulos Tsoutsouvas, W. Zhang, S. Wu, J. Raghav, J. Anderson, A. Makriyannis MEDI 62. Discovery of small-molecule Bax activators for the treatment of triple-negative breast cancer. G. Liu, D. Li, H. Chen, Y. Ding, Q. Shen, J. Zhou MEDI 63. Design, synthesis, and structure-activity relationships (SARs) of novel series of irreversible LSD1 inhibitors with improved hematological liability. Y. Hattori, S. Morimoto, M. Toyof*cku, S. Matsumoto, S. Matsuda, R. Baba, Y. Tominari, M. Iwatani, H. Oki, S. Iwasaki, M. Ito MEDI 64. Folic acid derived-P5779 mimetics regulate DAMP-mediated inflammation through disruption of HMGB1:TLR4:MD-2 axis. S. Sun, M. He, Y. Wang, H. Yang, Y. Al-Abed MEDI 65. Design, synthesis, and evaluation of functionalized 5-(phenoxymethyl)-1,3-dioxane analogs as potential treatments for metabolic syndrome. B.E. Blass, P. Iyer, M. Abou-Gharbia, W.E. Childers, J.C. Gordon, M. Ramanjulu, G.C. Morton, P. Arumugam, J. Boruwa, J.W. Ellingboe, S. Mitra, R. Nimmareddy, S. Paliwal, J. Rajasekhar, S. Shivakumar, P. Srivastava, R.S. Tangirala, K. Venkataramanaiah, M. Yanaandra, R. Bobbala, K.R. Leleti MEDI 66. New class of mononuclear ruthenium complexes as antimicrobial agents. B. Sun, R. Keene, G. Collins MEDI 67. Suitable chemical library for academic researchers in Japan. H. Kojima MEDI 68. Antisense-mediated knockdown of host selenoprotein expression in ZIKV infected cells via targeting of cellular mRNA by viral RNA. G.P. Dailey MEDI 69. Inhibitors of cytochrome P450 17A1 that spare 21-hydroxylase activity. C.D. Vogt, C. Fehl, R. Yadav, K. Li, E.E. Scott, J. Aube MEDI 70. Highly selective purine based covalent CDK12 inhibitors. J.W. Johannes, C. Denz, N. Su, A. Wu, A. Impastato, S. Mlynarski, J. Varnes, B. Prince, J. Cidado, N. Gao, M. Haddrick, N. Jones, S. Li, X. Li, Y. Liu, T. Nguyen, N. O’Connell, E. Rivers, D. Robbins, R. Tomlinson, T. Yao, X. Zhu, A. Ferguson, M.L. Lamb, J. Manchester, S. Guichard MEDI 71. Discovery, characterization and anti-Parkinsonian effect of a novel mGluR4 PAM chemical series. A. Blayo, B. Manteau, S. Mayer, S. Schann, M. Frauli, D. Charvin MEDI 72. Investigation of the chemical space for brain penetrable, carboxylic acid-containing compounds: Expanding the area available for CNS drug discovery. Y. Ohashi, D. Hasegawa, M. Kotake, T. Kurokawa, T. Nishioka, I. Kushida, T. Yoshiba, T. Mochizuki, M. Yamamoto, T. Komori, Y. Yoshida, K. Takeda, T. Terauchi MEDI 73. Discovery of the clinical candidate OWL833 as an orally active non-peptide GLP-1R agonist. H. Yoshino, S. Tsuchiya, A. Matsuo, M. Nishimoto, K. Takami, K. Hiroko, Y. Nishimura, Y. Furuta, T. Kamon, N. Hori, T. Shiraishi, H. Kashiwagi, A. Mizutani, F. Kawagishi, M. Ide, T. Haneishi, S. Yeu, M. Sugiyama, T. Emura, S. Niizuma, M. Wadamoto, T. Kawai, S. Yoshida, Y. Suzuki, K. Ogawa, S. Nagao, S. Tanida, M. Aoki, T. Sato, H. Sato MEDI 74. Fluorinated (R)-(-)-aporphines as potential agonist positron emission tomography ligands for serotonergic 5-HT1A receptor. Y. Xu, A.W. Sromek, J.L. Neumeyer MEDI 75. Synthesis of ergoline-based analogs. Á. Szabolcs, V. Ujj, J. Gerencsér, M. Guzman, T. Armer, S. Borland MEDI 76. Syntheses of 2-substituted oxetan-3-amines . L. Zhang, G. Liu, H. Li, X. Wu, M. Yang MEDI 77. Exploration of strained saturated heterocycles as isosteres in medicinal chemistry. C. Choi, J. Mousseau, J.A. Bull MEDI 78. Synthesis and evaluation of novel BACE1 inhibitors based on the N-amidino nitrogen-containing ring structure. K. Kobayashi, D. Joho, C. Taniguchi, M. Tanaka, R. Kimura, K. Komurasaki, Y. Kawasaki, Y. Hattori, K. Akaji MEDI 79. Design of potent and selective inhibitors for human b-secretase 1 (memapsin 2), a target for Alzheimer’s disease. A.K. Ghosh, E.L. Cardenas MEDI 80. Design, synthesis and validation of small molecules that sensitize HIV-1 infected cells to antibody dependent cellular cytotoxicity (ADCC). M.C. Grenier, S. Ding, A. Finzi, A.B. Smith MEDI 81. Porphyrins - A gift of nature to eradicate cancer? (Photodynamic therapy). Z.S. Berhe, E.C. Ojadi MEDI 82. Discovery of novel phosphonate prodrugs by de novo rational design. M. De Lera Ruiz, I.T. Raheem, M.T. Rudd, J. McCauley, J. Schreier, T.J. Hartingh, B. Ma, H. Aloysius, S. Carroll, M. Lai, J. Balsells-Padros, A. Bennet

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4:15 MEDI 24. Discovery and optimization of potent, selective, and orally available IDO1 heme-binding inhibitors featuring a novel A-pocket piece. H. Zhang, A. Achab, M.J. Ardolino, X. Chai, M. Cheng, Y. Deng, A. Doty, H. Ferguson, X. Fradera, I. Knemeyer, C. Li, K. Liu, T.A. Martinot, M. McGowan, R. Miller, K. Otte, Q. Pu, B. Purakattle, N. Sciammetta, N. Solban, X. Song, P. Spacciapoli, A. Wise, W. Yu, H. Zhou, D.J. Bennett, Y. Han 4:40 MEDI 25. Discovery of a selective, non-nucleoside small molecule inhibitor of DNA methyltransferase 1 (DNMT1). B.W. King, A.B. Benowitz, J. Briand, C. Burt, C. Carpenter, M. co*ckerill, K.A. Evans, D.T. Fosbenner, J. Handler, D.A. Heerding, A.M. Jordan, K. Keenan, R. Kruger, M. Li, J. Luengo, M. McCabe, C. McHugh, E. Minthorn, H. Mohammad, M.B. Pappalardi, M. Patel, A. Raoof, S. Romeril, L. Rueda, C. Sherk, A. Stowell, I. Waddell, K. Wong 5:05 MEDI 26. Preventing regulatory T cell trafficking into the tumor microenvironment: Discovery of potent and selective CCR4 antagonists. D.X. Hu, B. Abraham, B. Biannic, M.H. Bui, D. Chian, G. Cutler, J.J. Jackson, S. Jacobson, E. Karbarz, P. Kassner, J.M. Ketcham, L. Marshall, J. McKinnell, D. Pookot, M. Reilly, O. Robles, H. Shunatona, O. Talay, J. Walker, A. Wadsworth, A. Younai, M. Zibinsky, D.J. Wustrow

TECHNICAL PROGRAM

MEDI MEDI 83. Design, synthesis and in vitro evaluation of dual inhibitors of phosphatidylinositol-3-kinase delta (PI3Kd) and histone deacetylase 6 (HDAC6). A. Thakur, G. Grewal, G.J. Tawa, M. Henderson, C. Danchik, T.D. Lee, A. Simeonov MEDI 84. Development of chemical probes targeting ASH1L histone methyltransferase. H. Li, J. Deng, D. Rogawski, S. Klossowski, T. Purohit, K. Kempinska, E. Kim, M. Szewczyk, Z. Jin, D. Borkin, D. Montgomery, J. Ndoj, H. Cho, H. Miao, J. Grembecka, T. Cierpicki MEDI 85. Discovery of leniolisib (CDZ173), a potent and selective new generation PI3Kdelta inhibitor for autoimmune and inflammatory diseases. N.G. Soldermann MEDI 86. Efficacy of compounds derived from a native medicinal plant against common wound-colonising bacteria. V.A. Agampodi, T. Collet MEDI 87. Novel 2-arachidonoyl glycerol analogs with enhanced bio-activities and stabilities: Design, synthesis and in vitro biochemical evaluation. Y. Liu, S. Nikas, L. Ji, A. Korde, A. Ciesielski, A. Straiker, O. Benchama, A. Dhopeshwarkar, C. Honrao, K. Mackie, A. Makriyannis MEDI 88. Indole-based positive allosteric modulators for targeting CB1 receptor to overcome neuropathic pain. A. Resendez, K. Kumar, V. Kumar, B.K. Kobilka, S. Malhotra MEDI 89. Synthesis of new benzodiazepines that function as α5-GABAA receptor ligands to target group 3 medulloblastomas. F. Rashid, G. Li, T. Ahmed, O. Jonas, S. Sengupta, J.M. Cook MEDI 90. Synthesis and biological evaluation of novel imidazo[2,1-b]oxazole derivatives as V600E BRAF inhibitors for treatment of melanoma. M.S. Abdel-Maksoud, M.I. ElGamal, U.M. Ammar, E.M. Ali, K.I. Mersal, H.S. Choi, C.H. Oh MEDI 91. Using bacterial cytological profiling to determine the mechanism of action of antimicrobial peptides. S.A. Juliano, S.S. Duay, A.M. Angeles Boza MEDI 92. Novel CMKLR1 inhibitors and structure activity relationship studies for application in demyelinating disease. V. Kumar, M. LaJevic, B.A. Zabel, S.V. Malhotra MEDI 93. Small molecules facilitating DNA repair in breast cancer cells. M. Pandrala, K. Hastak, V. Kumar, M. Gardiner, J.M. Ford, S.V. Malhotra MEDI 94. Novel chalcone derivatives as potential therapeutic agents for triple negative breast cancer. V. Kumar, C.C. Going, D. Tailor, M. Pandrala, A.M. Birk, S. Pitteri, S.V. Malhotra MEDI 95. Prevention of trigeminal neuropathic pain development in rats using novel deuterated GABAAR-α6 subtype selective ligands. D.E. Knutson, D. Vasovic, B. Divovic, M. Treven, F. Steudle, P. Scholze, B. Brković, W. Sieghart, M. Ernst, J.M. Cook, M.M. Savic MEDI 96. Design and synthesis ofproanthocyanidin derivatives as an inhibitor of amyloid β aggregation. M. Mizuno, K. Mori, I. Nakanishi, K. Matsumoto, M. Shibanuma, K. f*ckuhara MEDI 97. Efficient synthetic methodology for the construction of dihydronaphthalene and benzosuberene molecular scaffolds with application as potent inhibitors of tubulin polymerization. H. Niu, D. Mondal, T.E. Strecker, J. Gerberich, J.W. Campbell III, D. Saha, D.J. Chaplin, E. Hamel, R.P. Mason, M.L. Trawick, K.G. Pinney MEDI 98. Design, synthesis, and structure-activity relationships of pyrido[3,2-d]pyrimidines as microtubule targeting agents that are effective against Pgp and βIIItubulin overexpressing cancer cells. A. Gangjee, A.B. Doshi, E. Hamel, S. Mooberry MEDI 99. Pyrazolo[4,3-d]pyrimidines: A novel scaffold for microtubule-targeting agents (MTAs). F. Islam, T.M. Quadery, R. Bai, E. Hamel, A. Gangjee MEDI 100. Investigating the binding modes and structureactivity relationships of small molecule FPR2 agonists using receptor hom*ology modelling. M. Maciuszek, T. Chapman, G. Nicoales, K. Birchall, C. Reutelingsperger, M. Perretti, A. Merritt MEDI 101. Synthesis and characterization of imidazopyrazine derivatives as VAV1 inhibitors. M. Gerspacher, P. Skaanderup, P. Imbach-Weese, L. Doumampouom Metoul, E. Roehn-Carnemolla, D. Arz, A. Garlot, A. Remond, V. Eric, M. Knapp, A. Lingel, V. Stucke, P. Chene, F. Hofmann MEDI 102. Synthesis of novel chloramphenicol derivatives as ribosome-targeting antibiotics. P.I. Fernando, S.T. Gregory, S. Donhue, B.L. DeBoef, P. Cesana, J. Gerwald MEDI 103. Synthesis and evaluation of α,β-unsaturated phosphonate esters as DXR inhibitors. K. Heidel, R. Edwards, S. Arnett, H.I. Boshoff, M.J. Meyers, A.R. Odom, C.S. Dowd MEDI 104. Design, synthesis and evaluation of novel antimalarials targeting apicoplast DNA polymerase (apPOL) from P. falciparum. P. Chheda, R.J. Kerns

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MEDI 105. Microwave assisted synthesis and characterization of 4-aminopyridine (ampyra) derivatives and their applications. M.A. Abusultan, Y.M. Hijji MEDI 106. Preliminary evaluation of novel serotonin antagonists as potential antidepressant agents. H. Giratallah, K.M. Blattner, J.C. Gordon, D.A. Pippin, B.E. Blass, D.J. Canney MEDI 107. Design, synthesis and bioactivity testing of azotochelin analogs as potential antibiotics. N.M. Karadkhelkar MEDI 108. Discovery of AM-2995, a potent, selective and orally bioavailable APJ agonist for the treatment of heart disease. Z. Ma, X. Wang, M. Wanska, L. Heumann, R. Connors, F. Kayser, J.C. Medina, Q. Guo, Y. Chen, R. Chen, Y. Zhang, J. Ma, J. Shi, J. Wong, G. Swaminath, J.B. Houze MEDI 109. Chemical modification and structure activity relationship (SAR) evaluation of Fellutamide B. N. Acharekar, S. Yoganathan MEDI 110. Tantalum oxide nanoparticles for use in contrast enhanced computed tomography. T. Lawson, A. Patwa, J. Freedman, B.D. Snyder, M.W. Grinstaff MEDI 111. Small molecule quinolinone derivatives that increase survival motor neuron protein via an SMN2 gene transcription enhancing mechanism. D.K. Fiejtek, J. Ahn, A. Rietz, H. Li, E.J. Androphy, K.J. Hodgetts MEDI 112. Biostructural optimisation of a piperazine amide based series of Liver X Receptor (LXR) agonists. A. Cooke, X. Fradera, D.J. Bennett MEDI 113. Synthesis and evaluation of the metabolites of GLS362E, an anti-Clostridium difficile lead compound. A. Marashio, B. Urbina, W. Xu, R. Lima MEDI 114. Comparing and validating machine learning models for Mycobacterium tuberculosis drug discovery. T. Lane, D.P. Russo, K.M. Zorn, A. Clark, A. Korotcov, V. Tkachenko, R. Reynolds, A.L. Perryman, J.S. Freundlich, S. Ekins MEDI 115. Selective sulfa drug acylations for antitubercular drug design. M.J. Hearn, C. Pugh, M.H. Cynamon MEDI 116. Strained amine heterocycles as non-hydrolyzable β-lactam surrogates: Mechanistic probes for Mycobacterium tuberculosis. S.M. Scarry, D. Cesta, T. Abramyan, B. Gold, L. Lopez Quezada, K. Saito, D. Kireev, S. Somersan Karakaya, C.F. Nathan, J. Aube MEDI 117. Synthesis of Pan-CMP mimics to inhibit CoaBC. H. Butman, X. Wang, R.C. Brothers, V. Mizrahi, J.C. Evans, E. Strauss, C.S. Dowd MEDI 118. Synthesis and antimycobacterial activity of new N-oxide compounds active against multi-resistant tuberculosis. P.C. Souza, G.F. Fernandes, L.B. Marino, C.M. Ribeiro, P.B. da Silva, M. Chorilli, C.S. Siva, D.M. Hunt, L.S. de Carvalho, C.D. Costa, S.H. Cho, Y. Wang, S.G. Franzblau, C. ManChin, F.R. Pavan, J.L. Dos Santos MEDI 119. Development of high affinity agonist ligands for the D2 receptor: Potential PET imaging agents. A. Nurani, Y. Xu, A.W. Sromek, J.L. Neumeyer MEDI 120. Pharmacophore models for inhibitors of DNA methyltransferases. J. Ruiz-Rios, F.I. Saldívar-González, J.L. Medina-Franco MEDI 121. Alpha-substituted tropolones as potential anti-blood cancer therapeutics. J. Li, E. Falcone, D. Wright, A.J. Wiemer MEDI 122. HIV protease as a target for novel antiretroviral therapies. I.W. Windsor, B. Gold, D.M. Dudley, B. Graham, M.J. Palte, J.C. Lukesh, T.P. Smith, K.T. Forest, D.H. O’Connor, R.T. Raines MEDI 123. Structure-based design, synthesis, evaluation and x-ray crystal structure analysis of HIV-1 protease inhibitors with modified P1, P1’and P2’ groups. L. Rusere, A. Ali, G.L. Lockbaum, S. Lee, R. Swanstrom, C.A. Schiffer MEDI 124. Design and synthesis of novel tricyclic 3,4-dihydro-2H-pyrido[1,2-a]-pyrazine-1,6-dione derivatives as gamma-secretase modulators. F. Bischoff, F. Van den Keybus, F. Rombouts, M. Mercken, H. Gijsen MEDI 125. Enterovirus inhibitory activity of substituted urea and thiourea derivatives of p-benzene sulfonamide. P. Chakrasali, H. Soo Bong, Y. Jung MEDI 126. Design and synthesis of some novel 6,7-dimethoxyquinazoline analogs as multi-target-directed ligands for the treatment of hypertension. R.B. Ghuge, N. Agrawal, B. Pithwa, A. Khadse, P.R. Murumkar, M. Yadav MEDI 127. Synthesis and characterization of ibuprofen and diclofenac prodrugs. J.J. James, H.D. Tabba, Y.M. Hijji MEDI 128. 4,6-Disubstituted quinazoline derivatives as inhibitors of the MEK5/ERK5 pathway. S. Patel, A.J. Motta, P.T. Flaherty, A. Bhatt, T. Wright, J. Cavanaugh MEDI 129. Selective allosteric inhibition of MEK5: novel target for cancer therapeutics. M. Gupta, D. Shah, P.T. Flaherty, T. Wright, A. Bhatt, J. Cavanaugh

MEDI 130. SAR study of novel heterocyclic acylhydrazones as anti-fungal agents targeting the synthesis of fungal GlcCer. Y. Sun, K.H. Haranahalli, C. Lazzarini, M.D. Poeta, I. Ojima MEDI 131. 1H-pyrrolo[3,2-b]pyridine GluN2B-selective NMDA antagonists. A. Soyode-Johnson MEDI 132. Discovery of linear and cyclic tetrapeptides inhibitors of Y-49 β-lactamase by structure-based drug design (SBDD) and molecular docking platforms empowered by MOE, AutoDock Vina and StarDrop-ADMET (Optibrium) module. J. Gonzalez, C.C. Clement MEDI 133. Strategies for synthesis of various aza-β-lactam derivatives as potential β-lactamase inhibitors. J. Fifer, M.A. Boudreau MEDI 134. Development of thiol containing open lactam analogues targeting metallo-beta-lactamases. M. Ohoueu, M.A. Boudreau MEDI 135. Synthesis and structure-activity relationships of quinolinone and quinoline-based P2X7 receptor antagonists and their anti-sphere formation activities in glioblastoma cells. S. Kwak, B. Ko, W. Kim, J. Lee, J.H. Jung, Y. Kim MEDI 136. Synthesis of CD437 analogs: compounds with MRSA persister cell activity and antibiotic synergy. W. Kim, C. Keohane, A. Steele, W.M. Wuest, F.M. Ausubel, E. Mylonakis MEDI 137. Synthesis, pharmacological activity and molecular modeling studies of a series of 2-amino-1,4,5,6tetrahydropyrimidine-5-carboxylic acid analogues as betaine/GABA transporter 1 (BGT1) substrate-inhibitors. S. Kickinger, A. Al-Khawaja, A. Stæhr Haugaard, R. Löffler, M. Damgaard, G.F. Ecker, B. Frølund, P. Wellendorph MEDI 138. Development of chemical tools for epigenetic reader proteins. J. Waybright, K.D. Barnash, J. Rectenwald, S.V. Frye, L.I. James MEDI 139. Novel and highly selective dopamine D3 receptor antagonists/partial agonists as potential treatments for opioid use disorders. A. Shaik, A. Bonifazi, S. Cemaj, J. Giancola, A. Gadiano, R. Rais, B. Slusher, A.H. Newman MEDI 140. Annulation rescues the rodent potency of a series of inhibitors of receptor-interacting protein kinase 1 (RIPK1). G. Hamilton MEDI 141. Design, synthesis and biological evaluation of nitrate ester analogs of SCP-1. M. Das, N.G. Bazan, M. Trudell MEDI 142. Small organic molecules to modulate apoe, abca1, & LDLR protein levels for Alzheimer’s therapy. B.S. Bajwa, P. Kumar, B. Kim, H. Karahan, I. Bal, J. Kim, S. Maitra MEDI 143. Discovery, synthesis and characterization of a series of (1-alkyl-3-methyl-1H-pyrazolo-5-yl)-2-(5-aryl2H-tetrazol-2-yl)acetamides as novel GIRK1/2 potassium channel activators. S. Sharma, K.A. Kozek, K.K. Abney, D. Weaver, C. Hopkins MEDI 144. Structure-based drug discovery of a selective, covalent KRas G12C inhibitor with oral activity in animal models of cancer. J.P. Fischer, B.R. Baer, J. Ballard, J.F. Blake, K. Bouhana, B.J. Brandhuber, D.M. Briere, L.E. Burgess, M.R. Burkard, H. Chiang, M.J. Chicarelli, J.G. Christensen, K. Davidson, J.J. Gaudino, J. Hallin, L. Hanson, K. Hee, E.J. Hicken, R.J. Hinklin, M.A. Marx, M.J. Mejia, P. Olson, P. Savechenkov, N. Sudhakar, T.P. Tang, G.P. Vigers, H. Zecca, J.B. Fell MEDI 145. Disruption of D1-D2 heterooligomers via synthetic peptides: A new therapeutic tool? M. Champion, P. Khazaei, H. Evans, D. Heyl-Clegg MEDI 146. Synthesis and structure−activity relationship (SAR) studies of novel Pyrazolopyridine derivatives as inhibitors of Enterovirus replication. Y. Xing, J. Zuo, P. Krogstad, M.E. Jung MEDI 147. Template alignment modeling of the structureactivity relationships of opioid ligands. Z. Wu, V.J. Hruby MEDI 148. Overcoming fluoroquinolone resistance in bacterial with new binding interactions. B.H. Williamson, R.J. Kerns MEDI 149. Towards the design of proteolysis targeting chimeras (PROTACs) for the degradation of polycomb group proteins. F.M. Potjewyd, K.N. Lamb, O. Bell, L.I. James, S.V. Frye MEDI 150. Characterization of new CRBN binders: Impact on protein degradation efficiency and differentiated pharmacology compared to IMiDs. N. Ji, Y. Zhang, M. Weiss, K. Hari, K. Yuan, J. Chen, J.F. Kelleher, C. Loh, N. Mainolfi MEDI 151. Identification of novel cyclic peptide-peptoid hybrid CXCR7 modulators. C. Limberakis, M. Boehm, K. Beaumont, R. Jones, A.S. Kalgutkar, L. Zhang, K. Atkinson, G. Bai, J. Brown, H. Eng, G.H. Goetz, B. Khunte, S. Lazzaro, S. Ryu, L. Tylaska, R. Turner, S. Leung, M. Ramaseshan, D. Price, S. Liras, M.P. Jacobson, D.J. Earp, S. Lokey, A. Mathiowetz, E. Menhaji-Klotz

MEDI 180. Anticancer properties of ruthenium(II) complexes and their application for photodynamic therapy and photoactivated chemotherapy. R. Ryan, D.K. Heidary, K.C. Stevens, J.P. Selegue, E.C. Glazer MEDI 181. Alternative synthetic pathway for a cytotoxic compound for lymphocytic leukemia. D. Belmona, L. Sanchez MEDI 182. Development of structure-acivity relationships of cjoc42 for targeting Gankyrin. J. Almasri, P. Farrales, E. AboAli, Y. Otmankhel, A. Shaik, V. Dukhande, V. Gupta, A. Muth MEDI 183. Development of small molecule- and peptidebased probes for targeting Gankyrin. D. Kanabar, A. Muth MEDI 184. Lobaric acid and pseudodepsidones from the lichen Stereocaulon paschale inhibit NF-κB signaling pathway. C. Carpentier, X. Barbeau, D. Grenier, P. Lagüe, N. Voyer MEDI 185. Synthesis and biological evaluation of novel 6-substituted thieno[3,2-d]pyrimidines as targeted antifolates. T.M. Quadery, F. Islam, L.H. Matherly, A. Gangjee MEDI 186. Regulation of AIMP2-DX2, oncogenic splicing variant using small molecule. S. Huddar, S. Lee, C. Park MEDI 187. Re-defining the oxindole chemotype to identify narrow spectrum inhibitors of the dark kinases TLK2 and PKMYT1. C.R. Asquith, M.P. East, T. Laitinen, G.J. Tizzard, D.H. Drewry, G.L. Johnson, T. Willson MEDI 188. Design, synthesis and biological evaluation of novel aromatic/heterocyclic sulfonamides as carbonic anhydrase inhibitors with selectivity for tumor-overexpressed isozyme IX. U.K. Mondal, E. Mcduffie, S. Zamanova, C.T. Supuran, M.A. Ilies MEDI 189. Design and synthesis of anxiolytic, anticonvulsant and antinociceptive benzodiazepine/ GABA(A)ergic receptor subtype selective ligands as potential nonsedating treatment for anxiety disorders, epilepsy and pain disorders. G. Li, J. Witkin, J. Schkeryantz, R. Cerne, J. Li, L. Lewter, K. Freeman, D. Stafford, L. Arnold, J.M. Cook MEDI 190. Cholesteryl ester vesicle mediated delivery of nucleic acids into neural cells in vitro. S. Andres, M.Q. Irving, A. Kovacs, J. Fraser-McArthur, J. Hughes, J. Schentag, L. Mielnicki, M. McCourt MEDI 191. Isolation and synthesis of luffariellolide derivatives and evaluation of antibacterial activities against Gram-negative bacteria. J. Lee, A. Shin, H. Lee MEDI 192. Electro-responsive ceria nanoparticle-embedded ferrocene-polyethyleneimine nanocarriers for the treatment of bacterial infections. S. Zhao, N. Bassous MEDI 193. New insights into salvinorin A from an activated kappa opioid receptor structure. P.D. Mosier, T. Che, B.L. Roth MEDI 194. Structure-activity relationship study of otilonium bromide as an antimicrobial agent. J. Rhodes, H. Wang, A. Cunningham, B. Daives, S.F. McHardy MEDI 195. Interactions of pyridine based aromatic hydrazides and amides with model membrane interfaces. B.J. Peters, C. an Cleave, K. Giffen-Kent, D. Crick, A. Sostarecz, D.C. Crans MEDI 196. Multi-target molecular profiling using MOE: A CYP450 isoform selectivity case study. M.R. Goldsmith, C. Williams MEDI 197. Computational approach for performing medicinal chemistry transformations within a 3D active site. N. Thorsteinson, A. Deschenes MEDI 198. MOEsaic: Application of matched molecular pairs to interactive SAR exploration. A. Ajamian MEDI 199. Organizing 3D project data for structure-based drug design. A. Ajamian MEDI 200. Direct electrochemical differentiations of cancer and normal cells on the titanate. H. Alismail, Y. Du, J. Zhou, Z. Tian MEDI 201. Application of extended Huckel theory to pharmacophore modeling. A. Ajamian MEDI 202. Discovery of highly potent PI4KIIIβ inhibitors against rhinovirus replication. P. Chakrasali, H. Soo Bong, Y. Jung MEDI 203. Amphipathic fatty acyl-cyclic [W4R4K] peptides as antimicrobial agents against pathogenic bacteria. A.D. Akinwale, J. Yamaki, K. Parang, R. Tiwari MEDI 204. Modular synthesis of peptide-based single and multimodal targeted molecular imaging agents. H.F. Schmitthenner, T. Barrett, S. Beach, L. Heese, A. Sweeny-Jones, C. Weidman, K. Jones, d. Dobson, X. Xu, H. Ophardt, K. Embong, I. Evans MEDI 205. Vinblastine and effects of its metabolites on nausea associated receptors. C.M. Chagas, L. Alisaraie

MEDI 206. Pro-soft drug modulators of sphingosine-1phosphate receptor 1 (S1PR1). C. Robinson, M. Bell, D. Foley, C. Naylor, G. Wood, J. Riley, O. Epemolu, L. Ellis, P. Scullion, Y. Shishikura, D. Flectcher, E. Katz, W. McLean, P. Wyatt, K. Read, A. Woodland MEDI 207. Synthesis of novel, potent phosphatidyl-choline specific phospholipase C inhibitors. L.I. Pilkington, M. van Rensburg, J. Reynisson, E. Leung, W.A. Denny, D. Barker MEDI 208. Investingating the scope of 3-oxabicyclo[4.1.0] heptane as a bioisostere for morpholine in kinase hinge binding fragments. D.M. Summers, S. Peace, C. Jamieson, H. Hobbs, S. Pal MEDI 209. Mechanism-based inhibitors of the human sirtuin 5 deacylase. K. Troelsen, N. Rajabi, A.S. Madsen, C.A. Olsen MEDI 210. Generation of cell-permeable protein mimetics through structural stabilization of protein fragments by membrane anchoring. N. Tarasova, K. Stefanisko, L. Khavrutskii, S. Tarasov MEDI 211. Synthesis and evaluation of hydrogen peroxide sensitive prodrugs of methotrexate and aminopterin for the treatment of rheumatoid arthritis. V. Previtali, J.P. Cadahía, N. Andersen, M. Clausen MEDI 212. Development of a potent blood-brain barrier penetrating EGFR tyrosine kinase inhibitor against malignant brain tumors. L.M. Urner, J. Tsang, G. Kim, P.M. Clark, T.F. Cloughesy, M.E. Jung, D.A. Nathanson MEDI 213. Fluorescence quenching studies of the human serum albumin (HSA) - quercetin complex by addition of divalent cations. R.M. Savizky, U. Okorafor, C. Kim MEDI 214. Modular synthesis of allosteric inhibitors of p97 AAA ATPase. E. Carder, D.M. Huryn, P. Wipf MEDI 215. Discovery of a novel class of orally active CGRP receptor antagonists for the treatment of migraine. I.M. Bell MEDI 216. Pharmacodynamics-driven skeleton synthesis with unravel of unique chemical reactivity feature: Exploring promising pharmaceutical agent. M. Saini, D. Sumkaria, V. Chaudhary, S. Guchhait MEDI 217. Discovering drugs from plants or drugs in plants? J. Nielsen MEDI 218. Synthesis and evaluation of functionalized benzoboroxoles as potential anti-cancer agents. S.C. Jonnalagadda MEDI 219. Design of Baylis-Hillman template based betulinic acid derivatives as potential anti-cancer agents. S.C. Jonnalagadda MEDI 220. Potent and selective inhibition of sirtuin 2 deacylation. A. Nielsen, N. Rajabi, A.S. Madsen, C.A. Olsen MEDI 221. Novel nitroxide derivatives combined with low-level laser irradiation for the treatment of acute limb ischemia/reperfusion injury. X. Yan, L. Bi MEDI 222. Generalization of a CNS-targeting prodrug strategy for nuclear receptor modulators. S.J. Ferrara, T.S. Scanlan MEDI 223. Exploring conformational changes associated with antimicrobial agent, colicin E3 during receptor binding on targeted bacteria. T.D. Nilaweera, D.S. Cafiso MEDI 224. Structure-activity relationship analysis of TNF receptor inhibitors for elucidation of inhibition mechanisms and therapeutic developments. C. Lo, W. Fiers, D. Thomas, C.C. Aldrich, J. Sachs MEDI 225. Scavenging activity of flavonoids present in okra seed extracts against methylglyoxal, a neurotoxin and reactive dicarbonyl species derived from glucose linked to diabetes and neurodegenerative diseases. B. Dayal, M.A. Lea MEDI 226. Semi-synthesis of albocycline analogs and biological evaluation for better mechanistic understanding. S. Daher, K. Franklin, V. Chatare, R.B. Andrade MEDI 227. Design, synthesis, and molecular modeling of novel 6-substituted pyrido[2,3-d]pyrimidines as dihydrofolate reductase inhibitors and potential anti-opportunistic agents. F. Islam, D.W. Seybert, A. Gangjee MEDI 228. Discovery of a 40-year-old sequence error unveils new understanding of allosteric ligand binding to glutamate dehydrogenase. O. Nassar, B.M. Pettitt, T. Smith MEDI 229. Does β-lapachone isomerize in human body? S. Cho, B. Kim, Y. Yoon MEDI 230. Chemical synthesis and applications of a novel fluorescent probe for human complement C3a receptor. C. Wu, A.D. de Araujo, K. Wu, R.C. Reid, T. Durek, J. Lim, D.P. Fairlie MEDI 231. Drug repurposing for nontuberculous mycobacteria with assay central. K.M. Zorn, S. Murcia, A. Clark, M. Braunstein, S. Ekins MEDI 232. Evaluation of butyrophilin (BTN3A1) ligands for gamma delta T cell stimulation. M.M. Poe, C.C. Hsiao, A.J. Wiemer

197

TECHNICAL PROGRAM

MEDI 152. Synthesis and biological evaluation of N9-ciscyclobutylpurine derivatives for use as cyclin-dependent kinase(CDK) inhibitors. J. Ha, S. Park, E. Kim, M. Yoo, J. Lee, C. Park, J. Hwang MEDI 153. CXCR2 receptor antagonists for the treatment of colorectal cancer. C. Black, K.C. Nagulapalli Venkata, M. Labonte Wilson, H. Lenz, S.G. Louie, N.A. Petasis MEDI 154. Pheophorbide a suppresses toll-like receptor signaling via IKKβ/NFκB/TBK1/IRF3 to improve survival in septic mice. K. Taekyun MEDI 155. Fragment-based discovery of pyrazolopyridones as JAK1 inhibitors with excellent subtype selectivity. A. Ritzen, T. Vifian, R. Sindet, B.B. Hansen, M. Larsen, T.H. Jepsen, J. Larsen, J.G. Seitzberg, S. Rai, V.R. Nasipireddy, M.A. Carnerup, A. Jerre, C. Mølck MEDI 156. Synthesis and biological evaluation of some novel heterocyclic compounds as potential anti-thrombotic agents. A.N. Khadse, S. Khan, N. Prajapati, R.B. Ghuge, P.R. Murumkar, S. Rajput, M. Yadav MEDI 157. Inducing the activity of NK cells with NKp30 small organic ligands. P. Pinheiro, G.C. Justino, J.P. Miranda, M. Marques MEDI 158. Exploration of (hetero)aryl derived thienylchalcones for antiviral and anticancer activities. V. Patil, S.A. Patil, R. Patil, A. Bugarin, K. Beaman, S. Patil MEDI 159. Rapid and accessible in silico macrocycle design – application to BRD4. S. Sciammetta, M. Bauer, R. Scoffin, G. Tedesco, M.D. Mackey MEDI 160. Structure-based design of inhibitors for STE20like kinase (SLK). R.A. Serafim, S. Vasconcelos, W. Zuercher, T. Willson, J. Bennett, F. Sorrell, K.B. Massirer, J.M. Elkins MEDI 161. Discovery and structure–activity relationship study of dihydropyrano [2,3-c] pyrazoles as inhibitors of USP7. A. Pepe, N. Hjortland, A.D. Mesecar MEDI 162. Discovery of novel hVMAT2 ligands. B.A. Provencher, A.J. Eshleman, R.A. Johnson, O. Kryatova, J. Nelson, J. Tian, P.C. Meltzer, A. Janowsky MEDI 163. Discovery of selective filviral inhbitors through phentypic screening of an arylnaphthalene lignan library. A. Lindstrom, D.P. Petrov, V.J. Davisson MEDI 164. How far can we use human serum transferrin to transport drugs? G.C. Justino, M. Marques MEDI 165. Optimization of penfluridol for use in anticancer therapy. M. Ashraf Uz Zaman, M. Sajib, C. Mikelis, N.A. German MEDI 166. Photochemical release of glycine from excited state dendrimer: An example of novel drug delivery. J.I. Lee, J. Kang MEDI 167. Metal binding antimicrobial peptoids. J. Portelinha, A.M. Angeles Boza, S. Cobb MEDI 168. Roles of mitochondrial fusion promoter in ischemia/reperfusion injury. S. Hou MEDI 169. Synthesis, characterization, cytotoxic and genotoxic evaluation of N6-benzylquinazoline-2,4,6-triamine derivatives. A. Matus-Meza, M. Herrera-Martínez, B. Chávez-Munguía, P. Talamás-Rohana, M. VelascoVelazquez, C. Ordaz-Pichardo, F. Hernández-Luis MEDI 170. hom*ology model template selection benchmarking: Global versus local similatiry measures. P. Castleman, A.L. Parrill-Baker, D.L. Baker MEDI 171. Phototoxicity of 7-oxycoumarins with keratinocytes. J. Saxena, J. Laskin, D. Heck, C.D. Guillon, N.D. Heindel MEDI 172. Antibacterial activities of auraofin analogs. B. Wu, X. Yang, M. Yan MEDI 173. Selective targeting of breast cancer brain metastases by cisplatin prodrug nano-formulation. B. Surnar, S. Dhar MEDI 174. NAADP-BODIPY dye conjugates for characterizing NAADP binding proteins. Z. Guan, J. Slama MEDI 175. Design, synthesis, and SAR of inhibitors of lipid chaperones (FABPs) toward next-generation therapeutic agents for chronic pain and cancer. M. Awwa, S. Yan, M. Elmes, J. Li, K. Ziadkhanpour, M. Kaczocha, R.C. Rizzo, D. Deutsch, I. Ojima MEDI 176. Exploiting solvent effects in drug design and optimization. A. Ajamian, C. Williams MEDI 177. Hepatitis C virus NS3/4A protease inhibitors incorporating flexible P2 quinoxalines target drug resistant viral variants. J. Zephyr, A.N. Matthew, N. Kurt-Yilmaz, C.A. Schiffer, A. Ali MEDI 178. Investigating the efficacy of functionalized hybrid gold nanoparticles as theranostic platforms in dialysis related amyloidosis and Alzheimer’s disease. R. Burke, D.J. Swinton, M.P. Washington, H. Zhang, A. Boroujerdi MEDI 179. Discovery and optimization of macrocyclic peptide dimerization inhibitors of BRAFwt. C. Beneker, M. Rovoli, M. Roring, G. Kontopidis, T. Brummer, C. McInnes

TECHNICAL PROGRAM

MEDI MEDI 233. Structure-guided design and SAR studies of hepatitis C virus NS3/4A protease inhibitors incorporating flexible P2 quinoxalines. A. Ali, A.N. Matthew, N. Desaboini, L. Rusere, A. Newton, C.J. Petropoulos, W. Huang, N. KurtYilmaz, C.A. Schiffer MEDI 234. Monitoring macrolide-induced changes to membrane properties of living bacteria by using secondharmonic light scattering. M. Sharifian Gh., M.J. Wilhelm, H. Dai MEDI 235. Synthesis and spectroscopic study of polymer based nonsteroidal analgesic prodrugs. H.D. Tabba MEDI 236. Potentially bioactive ferrocene-substituted nitro and amino complexes: Synthesis, structural interpretation, and DFT calculations. F. Asghar, A. Badshah, I.S. Butler MEDI 237. Novel theranostic tools for Alzheimer’s disease. L. Sun, N. Bandara, Y. Huang, H. Cho, B.E. Rogers, L.M. Mirica MEDI 238. Design and antiviral activity evaluation of small molecule compounds against viruses from Flavivirus and Enterovirus genera. A. Orlov, M. Drenichev, V. Oslovsky, K. Frolov, A. Nikitina, E. Khvatov, A. Eletskaya, A. Golinec, S.N. Mikhailov, V. Palyulin, G. Karganova, V. Dotsenko, L. Kozlovskaya, D.I. Osolodkin MEDI 239. Synthesis and base pairing studies of 5-cyanomethyluridine (cnm5U) and 5-cyanouridine (cn5U) in RNA duplexes. S. Mao, J. Sheng MEDI 240. Synthesis and crystal structure studies of 2’-5’-linked RNA duplexes. F. Shen MEDI 241. Molecular dynamics simulations of the absorption of dodecaborate hydride clusters by Feraheme medicine. P. Rehak MEDI 242. Understanding the effect of arsenic treatment on breast cancer cell lines using gene expression analysis. L.L. Pruteanu, C. Braicu, D. Módos, A. Jurj, L. Raduly, R. Cojocneanu-Petric, A. Moldovan, A. Bender, I. BerindanNeagoe MEDI 243. 2,3-Difluoro sialic acid analogs as potential bacterial sialidase inhibitors. W. Li, A. Santra, H. Yu, Y. Li, T. Slack MEDI 244. Potent zwitterionic anticancer agent: Selective killing of cancer by targeting cancer redox metabolism. J. Song, J. Mi, L. Jin, B. Liang, D.P. Jones, H. Fu, C.L. Hill, S. Nie MEDI 245. Prodrug of doxorubicin and biomaterial allow for targeted treatment of soft tissue sarcoma. K. Wu, M. Royzen, J. Mejia Oneto, N. Yee MEDI 246. Polyelectrolytes, potent excipients for protein drugs. A. Mancuso, N. Pillarella, A. Sadek, M. Bazrouk, K.S. Raja MEDI 247. Vitamin B12 derivatives for photopharmaceutical therapy. J.R. Shell, D.C. Zites, T.A. Shell, J. Gunn, B. Pogue MEDI 248. Membrane association controls substrate specificity of lipolytic enzymes. V. Mouchlis, J. McCammon, E.A. Dennis MEDI 249. Amphiphilic cell-penetrating hybrid cyclic-linear peptides as a drug delivery system. S. Mozaffari, K. Tavakoli, B. Khungar, R. Tiwari, K. Parang MEDI 250. Selective metabolic blackout in hepatocellular carcinoma cells by submicromolar iodoacetate-loaded galactosylated nanoparticles. A.M. Reda MEDI 251. Rapid estimation of relative binding affinities of G-protein coupled receptor (GPCR) ligands using precomputed ensembles based free energy approaches. S.K. Lakkaraju, S. Jo, A.D. Mackerell

MONDAY MORNING SECTION A Boston Convention & Exhibition Center Room 210B

Best Practices in Fragment-Based Drug Design A. C. Hart, D. Marcoux, H. Perez, Organizers, Presiding 9:00 MEDI 252. Progress, pitfalls, and best practices for fragment-based drug discovery. D.A. Erlanson 9:35 MEDI 253. Strategizing fragment libraries and screening methods for hit identification against metabolic enzyme targets. A. Padyana 10:10 MEDI 254. Fragment-based discovery of KAT II inhibitors via high-throughput chemistry. M. Harner, C.L. Cavallaro 10:45 MEDI 255. Discovery of potent orally bioavailable Factor D inhibitors by exploiting non-validated very weak binding affinity fragments. A. Vulpetti 11:20 MEDI 256. Fragment-based discovery of an orally bioavailable ERK1/2 inhibitor which reduces the level of phosphorylated ERK. D. Norton

198

SECTION B Boston Convention & Exhibition Center Room 210A

New Advances in Treating Rare Diseases A. A. Scholte, K. Yeung, Organizers, Presiding 8:30 Introductory Remarks. 8:35 MEDI 257. Identification of novel CNS active glucosylceramide synthase (GCS) inhibitors for the treatment of neuronopathic lysosomal storage diseases. J.P. Leonard 9:10 MEDI 258. Discovery of sarcomere modulator mavacamten. J. Oslob 9:45 MEDI 259. Discovery and development of avapritinib: A highly targeted therapy for systemic mastocytosis. K.J. Wilson 10:20 MEDI 260. Discovery of CFTR correctors for the treatment of cystic fibrosis. X. Wang 10:55 MEDI 261. ACH-4471, the first clinically investigated orally administered small-molecule inhibitor of complement factor D for the treatment of rare chronic diseases including C3 glomerulopathy. J.A. Wiles, V.R. Gadhachanda, A.S. Phadke, S.D. Podos, Y. Huang, W. Yang, H. Kocinsky, M. Deshpande, M. Huang 11:30 MEDI 262. Sulfur-halogen intramolecular conformational constraints: Identification of 1,3,4-thiadiazole analogs of LMI070 as SMN2 splicing modulators. M. Sung

SECTION C Boston Convention & Exhibition Center Room 210C

General Oral Session A. W. Stamford, Organizer A. J. Roecker, Presiding 8:30 MEDI 263. Chemical insights into human aldehyde oxidase-mediated metabolism. S. Lepri, N. Milani, S. Tortorella, G. Cruciani 8:50 MEDI 264. Discovery of potent and selective BRD4 inhibitors capable of blocking TLR3-induced acute airway inflammation. Z. Liu, B. Tian, H. Chen, P. Wang, A.R. Brasier, J. Zhou 9:10 MEDI 265. Discovery of potent BET inhibitors as potential treatments for cancer. M.D. Hill, H. Fang, D. Norris, W.D. Schmitz, C. Huang, R. Westhouse, M. Kramer, J. Morrison, C. Tye, E. Shields, H. Zhang, M. Sinz, J. Simmermacher-Mayer, F. Lee, A.V. Gavai, A.P. Degnan 9:30 MEDI 266. Development of a YEATS-domain chemical probe. M. Moustakim, O. Monteiro, J. Bennett, C. Giroud, T. Christott, L.D. Saez, I. Panagakou, L. Felce, V. Gamble, K. Huber, G. Farnie, J. Heer, D. Dixon, P. Brennan, O. Federov 9:50 MEDI 267. Development of KDM5 covalent inhibitors as chemical probes. S. Vazquez-Rodriguez, M. Wright, P. Brennan 10:10 MEDI 268. Antitubercular drug discovery enabled by Bayesian modeling. A.L. Perryman, T.P. Stratton, J.S. Patel, X. Wang, S. Ekins, J.S. Freundlich 10:30 MEDI 269. Discovery of a highly potent and orally bioavailable selective estrogen receptor degrader (SERD) GNE-149 for ER-positive breast cancer. J. Liang 10:50 MEDI 270. Discovery of a series of selective inhibitors of the sodium-phosphate co-transporter NaPi2a (SLC34A1). K.J. Filipski 11:10 MEDI 271. Discovery and application of 3-oxabicyclo[4.1.0]heptane, a non-nitrogen containing morpholine isostere, through predictive quantum mechanical modelling. H. Hobbs, G. Bravi, I. Campbell, M. Convery, H. Davies, G. Inglis, S. Pal, S. Peace, J. Redmond, D.M. Summers 11:30 MEDI 272. Exploration of novel chemical space by the interplay of drug design and method development: Neglected sulfur (VI) pharmacophores in drug discovery. U.T. Luecking, F. Izzo, J. Sirvent, R.A. Stockman, F. von Nussbaum, M. Bauser, M. Brands 11:50 MEDI 273. Assessment of AstraZeneca secondary pharmacology profiling assays and applications to lead optimization efforts. D.G. Brown

Structures & Functions of Glycans Sponsored by CARB, Cosponsored by ANYL, BIOL, CELL, MEDI and ORGN

Bioactives & Skin Health Sponsored by AGFD, Cosponsored by MEDI

MONDAY AFTERNOON SECTION A Boston Convention & Exhibition Center Room 210B

Confronting the Opioid Epidemic: Novel Treatments for Chronic Pain S. McKerrall, Organizer, Presiding 1:30 Introductory Remarks. 1:35 MEDI 274. NKTR-181: Separating euphoria from analgesia in a full MOR agonist. S.K. Doberstein, N.K. Anand 2:05 MEDI 275. Evaluation of opioid antinociceptive tolerance with G-protein signaling biased opioid agonists. L.M. Bohn, T.D. Bannister 2:35 MEDI 276. NYX-2925 is a novel NMDA receptorspecific spirocyclic-β-lactam that induces rapid and long-lasting analgesia in multiple rat models of neuropathic pain. R.A. Kroes, M. Khan, N. Ghoreishi-Haack, C. Cearley, J.R. Moskal 3:05 MEDI 277. Strategic advances in the identification of small molecule inhibitors of NaV1.7 for the treatment of chronic pain. B. Milgram 3:35 MEDI 278. Structure-based drug discovery in a sodium channel: Discovery of chromane arylsulfonamide Nav1.7 inhibitors for the treatment of chronic pain. S. McKerrall, P. Bergeron, B. Safina, D.F. Ortwine, S. Shields, L. Deng, D. Hackos, J. Chen, J. Pang, J. Chang, K.W. Lai, W. Liu, Z. Liu, C.M. Dehnhardt, J. Johnson, G. Bankar, C. Cohen, D.P. Sutherlin 4:05 MEDI 279. Discovery of novel arylsulfonamide Nav1.7 inhibitors: In vitro-in vivo correlations, development of multiparameter optimization (MPO) methods, and optimization of selectivity profiles. A.J. Roecker, M.E. Layton, M.J. Kelly, J.E. Pero, T.J. Greshock, T. Zhang, R.L. Kraus, Y. Li, C. Daley, A. Jovanovska, B. Klein, M. Clements, J. Wang, D. Henze, G. Varty, J. Ballard, D. Wang, F. Zhao, C.P. Regan, H. Regan, L.A. Joyce, E.C. Sherer, C.T. John, X. Peng, X. Wang, H. Sun, A.K. Houghton, C.S. Burgey

SECTION B Boston Convention & Exhibition Center Room 210A

Biology’s Magic Methyl: Methyltransferases & Demethylases as Epigenetic & Neurotransmitter Regulators J. Barrow, J. Panarese, Organizers, Presiding 1:30 Introductory Remarks. 1:35 MEDI 280. Discovery of selective inhibitors for histone methyltransferases. J. Jin 2:15 MEDI 281. Discovery, optimization and biological activity of EED binders allosterically inhibiting the methyltransferase PRC2. A. Lingel, Y. Huang, D. Bussiere, J. Gu, L. Li, W. Qi, M. Sendzik, Y. Wang, Z. Yu, H. Zhang, J. Zhang, M. Zhang, K. Zhao, C. Oyang, E. Li 2:55 MEDI 282. Structural rationalization of bioactivity trends that led to identification of the EZH2 development candidate (PF-06821497). P. Kung, S. Bergqvist, P. Bingham, J.F. Braganza, A. Brooun, M.R. Collins, W. Diehl, Y. Deng, D. Dac, C. Fan, V. Fantin, K. Gajiwala, H. Gukasyan, W. Hu, B. Huang, R. Kania, W. Liu, S. Kephart, M. Kraus, C. Krivacic, R. Kumpf, G. Li, K. Maegley, I.J. McAlpine, L. Nguyen, S. Ninkovic, M.A. Ornelas, D. Richter, E. Rui, M. Ryskin, S.A. Scales, J. Spangler, A. Stewart, S.C. Sutton, J. Tatlock, C. Tsao, D. Verhelle, F. Wang, H. Wang, M. Wythes, S. Yamazaki, B. Yip, X. Yu, L. Zehnder, W. Zhang, P. Zhu, J. Zhu, R. Rollins, S. Sharma, M.P. Edwards 3:35 MEDI 283. Targeting histone methyltransferases and demethylases. V. Gehling 4:15 MEDI 284. Discovery and development of opicapone, a third generation catechol-O-methyltransferase inhibitor. P. Soares-da-Silva, L. Kiss 4:55 Concluding Remarks.

SECTION C Boston Convention & Exhibition Center Room 210C

Drug Discovery for the Treatment of Childhood Neuromuscular Diseases A. S. Kamlet, Organizer, Presiding 1:30 MEDI 285. Spinal muscular atrophy from gene to treatment. A. Burghes 2:10 MEDI 286. Small molecule SMN splicing modifiers to treat SMA. M.G. Woll, G.M. Karp, A. Turpoff, N.A. Naryshkin, A. Dakka, J. Narasimhan, V. Gabbeta, M. Weetall, X. Zhao, N. Risher, J. Sheedy, J. Baird, H. Ratni, F. Metzger, S. Paushkin, K.S. Chen 2:50 MEDI 287. Spinal muscular atrophy: Advancing small molecule splicing modulators from phenotypic screen to the clinic. B. Hurley 3:30 Intermission.

Structures & Functions of Glycans Sponsored by CARB, Cosponsored by ANYL, BIOL, CELL, MEDI and ORGN

Bioactives & Skin Health Sponsored by AGFD, Cosponsored by MEDI

Undergraduate Research Posters Medicinal Chemistry Sponsored by CHED, Cosponsored by MEDI and SOCED

Tetrahedron Prize Sponsored by ORGN, Cosponsored by BIOL, CARB and MEDI

MONDAY EVENING SECTION A Boston Convention & Exhibition Center Exhibit Hall B2/C

Sci-Mix A. W. Stamford, Organizer 8:00 – 10:00 39, 50, 54, 60, 73-74, 80, 86, 95, 98, 100-101, 104, 111, 113, 118, 123, 128, 135, 138-139, 143, 145-146, 149, 163, 165, 167-170, 173, 179, 184, 186-187, 189, 192. See previous listings. 357, 371-372, 378, 385, 431, 436, 440-441. See subsequent listings.

TUESDAY MORNING SECTION A Boston Convention & Exhibition Center Ballroom West

Awards Session Cosponsored by PROF A. W. Stamford, Organizer P. L. Ornstein, Presiding 8:30 MEDI 290. Design and synthesis of novel opioid peptidomimetics for potential treatment of cocaine addiction. D. Montgomery, J.P. Anand, N.W. Griggs, J.R. Traynor, H.I. Mosberg 8:55 MEDI 291. Total syntheses of highly oxidized bioactive natural products. H. Chu 9:20 MEDI 292. Towards the development of an in vivo chemical probe for Polycomb chromodomains. K.N. Lamb, J.I. Stuckey, S.N. Dishman, J.L. Norris-Drouin, S.H. Cholensky, O. Bell, S. Musetti, L. Huang, C.A. Sagum, M.T. Bedford, L.I. James, S.V. Frye 9:45 MEDI 293. Development of predictive guidelines for small-molecule accumulation in Gram-negative bacteria. M. Richter 10:10 MEDI 294. Novel strategies for treating estrogen receptor positive metastatic breast cancer. R. Xiong, J. Zhao, L. Gutgesell, Y. Li, Y. Lu, C. Rosales, H. Zhao, D. Tonetti, G.R. Thatcher 10:35 MEDI 295. Structure and physicochemical property guided design of small molecule kinase inhibitors and further opportunities. T.P. Heffron 11:20 MEDI 296. In recognition of those who deserve the Philip S. Portoghese lectureship award but did not receive it. M. Cushman

SECTION B Boston Convention & Exhibition Center Room 210B

Projects of NCI Chemical Biology Consortium: A Unique, Collaborative Approach to Cancer Drug Discovery Cosponsored by BIOL‡ M. Arkin, D. M. Huryn, Organizers, Presiding 8:30 Introductory Remarks. 8:35 MEDI 297. NCI Chemical Biology Consortium. B. Mroczkowski 8:55 MEDI 298. Design and characterization of a chemical fragment library of mercaptophiles. P. Wipf, T. Maskrey, M. Arkin, D.M. Huryn

9:20 MEDI 299. Discovery and structure-based optimization of potent, covalent inhibitors of Taspase1. J. Neitz, M. Arkin, A.G. Waterson, L. Sambucetti 9:45 MEDI 300. Discovery, optimization and characterization of allosteric inhibitors of the AAA ATPase p97, an emerging cancer target. D.M. Huryn, M. Arkin 10:30 MEDI 301. Discovery of novel tricyclic Mcl-1 inhibitors that exhibit selective anti-proliferative activity and in vivo efficacy. T. Lee, J.C. Tarr, B. Zhao, Z. Bian, S. Shaw, J. Belmar, A. Arnold, J.L. Sensintaffar, W.J. Moore, G.M. Stott, M. Hollingshead, A. Srivastava, C.J. Thomas, M.M. Davis, O.W. Rossanese, E.T. Olejniczak, S.W. Fesik 11:05 MEDI 302. Discovery and characterization of cell active inhibitors of lactate dehydrogenase (LDH) using structure-based design. A.G. Waterson, M.D. Hall, G. Rai, K. Brimacombe, B. Mott, D.J. Urban, K. Kim, P.P. Christov, A.P. Lamers, I.M. Romaine, S. Jana, X. Hu, S. Yang, T.D. Lee, D. Cheff, J. Kouznetsova, G.A. Benavides, K. Pohida, E.J. Kuenstner, D.K. Luci, C.M. Lucaks, D.R. Davies, D. Dranow, H. Zhu, G.A. Sulikowski, W.J. Moore, G.M. Stott, A.J. Flint, V.M. Darley-Usmar, J.P. Norenberg, L.A. Sklar, L.M. Neckers, C.V. Dang, A. Simeonov, A. Jadhav, D.J. Maloney 11:50 MEDI 303. MRX-2843, a dual MERTK/FLT3 inhibitor enabled by the NCI Chemical Biology Consortium (CBC) entering Phase 1 clinical trials. X. Wang, D. DeRyckere, D. Kireev, D. Graham, H. Earp, S.V. Frye 12:25 Concluding Remarks.

DARPA Make-It Program: Automating Small Molecule Route Design, Optimization & Synthesis Flow Synthesis Sponsored by COMSCI, Cosponsored by ANYL, COMP, MEDI and ORGN

TUESDAY AFTERNOON SECTION A Boston Convention & Exhibition Center Ballroom West

Structure-Based Drug Design for GPCRs & Other Difficult Targets T. D. Bannister, C. de Graaf, Organizers, Presiding 1:30 MEDI 304. Structure-based drug discovery of G protein-coupled purine receptor ligands. K.A. Jacobson 2:10 MEDI 305. Application of MD-simulations in GPCR drug design – exemplified by case studies. C. Tautermann 2:50 MEDI 306. Navigating structural GPCR-ligand interaction space for crafted computer-aided drug design. C. de Graaf, B.G. Tehan, F. DeFlorian, J. Mobarec, C.C. Scully, R.T. Smith, G. Bottegoni, J.S. Mason, M. Congreve 3:30 MEDI 307. Orthosteric and allosteric antagonism of chemokine receptors: Structural insights into compound affinity and selectivity. K.K. Chahal, G.E. Baker, Y. Zheng, A. Tebben, T.M. Handel, I. Kufareva 4:10 MEDI 308. Opportunities for advanced computational modeling in GPCR drug discovery. A. Bortolato, K. Zhu, K.W. Borrelli, T. Beuming, I. Aloni, R. Abel 4:50 MEDI 309. Identifying inter-helical interactions involved in GPCR structure-function and the forces that determine ligand residence time. A. Heifetz, A. Potterton, I. Morao, T. James, M. Southey, D.G. Fedorov, M. Bodkin, A. Townsend-Nicholson

SECTION B Boston Convention & Exhibition Center Room 210B

General Oral Session A. W. Stamford, Organizer M. Visser, Presiding 1:30 MEDI 310. Lead repurposing for neglected tropical diseases: Strategies for optimization of ADME properties of kinase inhibitor chemotypes. L. Ferrins, A. Sharma, K.A. Bachovchin, S. Bag, L. Silva, D. Klug, N. Mehta, J. Woodring, W.G. Devine, J. Wiedman, K. Mensa-Wilmot, M.P. Pollastri 1:55 MEDI 311. Design of a potent and selective GPR40 agoPAM with low projected human dose. D. DeMong, Z. Hu, M.W. Miller, R. Orr, A. Weinglass, G. Eiermann, K. Mitra, J. Ehrhart, C. Plummer, H. Chen, H.R. Chobanian, A.R. Angeles, M. Maddess, E. Ashley, J. DiSalvo, B. ThomasFowlkes, S. Souza, B. Cheewatrakoolpong, M. Trujillo, J. Gorski, M. Pachanski, D. Kosinski, M. Kirkland, J. Mane, J. Baldassari, D. Szeto, J. Xue, G. Forrest, K. Samuel, R. Tschirret-Guth, D. Tatosian, Q. Chen, M. Hafey, R. Houle, A. Thomas, J. Shang, T. Pereira, A. Howard, S.L. Colletti

2:20 MEDI 312. Harnessing intramolecular hydrogen bonds in the design of potent and selective CREBBP bromodomain ligands. S.J. Conway 2:45 MEDI 313. Identification and in vivo evaluation of novel IRAK4 inhibitors in murine models of lupus. J. Hynes 3:10 MEDI 314. Discovery of TAK-137 and TAK-653, clinical candidates of α-amino-3-hydroxy-5-methylisoxazole-4propionic acid receptor potentiators with reduced agonistic activities. S. Nakamura, M. Toyof*cku, E. Honda, T. Imaeda, A. Yokota, S. Sogabe, A. Kunugi, H. Kuno, Y. Kosugi, M. Kori, T. Miki, H. Kimura, T. Kuroita, T. Kaku 3:35 MEDI 315. First class of orally available monosaccharide galectin-3 inhibitors for treatment of fibrosis (NASH) and cancer. F. Zetterberg 4:00 MEDI 316. Discovery of orally bioavailable noncatechol atropisomer dopamine D1 agonists with reduced desensitization. J.E. Davoren, D.L. Gray, D. Nason, A. Harris, W. Xu, S. Mente, J.W. Coe, R. Kozak 4:25 MEDI 317. DRX-065, the deuterated (R)-enantiomer of pioglitazone, as a nonalcoholic steatohepatitis (NASH) drug candidate: Preclinical and phase 1 results. V. Jacques, L. Van der Ploeg, S.H. Dewitt 4:50 MEDI 318. Discovery of novel potent and selective first in class calpain inhibitors for the potential treatment of neurodegenerative disorders. H. Mack, K. Jantos, A. Kling, C.W. Hutchins, W. Hornberger, G. Backfisch, M. Nijsen

DARPA Make-It Program: Automating Small Molecule Route Design, Optimization & Synthesis Reaction Planning & Screening Sponsored by COMSCI, Cosponsored by ANYL, COMP, MEDI and ORGN

WEDNESDAY MORNING SECTION A Boston Convention & Exhibition Center Ballroom West

First Time Disclosure of Clinical Candidates E. F. DiMauro, Organizer, Presiding 9:00 Introductory Remarks. 9:05 MEDI 319. Discovery of the TYK2 selective inhibitor PF-6826647 for the treatment of Crohn’s disease, and other autoimmune conditions. B.S. Gerstenberger, E.P. Arnold, M. Banker, M.F. Brown, J.D. Clark, A. Dermenci, M. Dowty, A. Fensome, M.M. Hayward, M. Hegen, B.D. Hollingshead, J.D. Knafels, D.W. Lin, T. Lin, D. Owen, E. Saiah, R. Sharma, F.F. Vajdos, F. Vincent, S.W. Wright, L. Xing, X. Yang, X. Yang, L. Zhang 9:45 MEDI 320. Discovery of AZD5718, a novel 5-lipoxygenase activating protein (FLAP) inhibitor. M. Lemurell, D. Pettersen, J. Ulander, M. Hayes, C. Whatling, M. Swanson, J. Broddefalk, H. Emtenas, E. Lindstedt 10:25 MEDI 321. Discovery of LY3154207, a potent and selective dopamine receptor D1 positive allosteric modulator for the treatment of Parkinson’s disease dementia. J. Hao, J.P. Beck, J.H. Krushinski, J.M. Schaus, X. Wang, B. Heinz, R.F. Bruns, D.M. Bender, J.W. Cramer, K.A. Svensson 11:05 MEDI 322. Discovery of AMG986, a potent, selective and orally bioavailable APJ agonist for the treatment of heart disease. P.J. Dransfield , Z. Ma, J. Ma, V. Pattaropong, S. Lai, M.R. Kaller, N. Nishimura, N. Chen, D. Kopecky, D. Horne, K. Hoagland, S. Hedley, J.B. Houze, J. Mihalic, J. Heath, Y. Chen, Q. Guo, X. Chen, J.C. Medina, Z. Fu, J. Deignan, S. Wang, T. Judd, R. Connors, S. Olson, G. Swaminath, W. Sutherland, M. Fielden, B. Farrell, J. Harvey 11:45 Concluding Remarks.

SECTION B Boston Convention & Exhibition Center Room 210B

Antibiotic Resistance: Recent Advances in Drug Discovery & Development S. Dong, C. Gonzalez-Bello, J. Su, Organizers, Presiding 8:30 MEDI 323. Obstacles to the discovery of novel antibacterials & approaches towards a new strategy. R.A. Tommasi 9:00 MEDI 324. Disabling unexplored key enzymes in bacteria to unlock resistance to antibiotics. C. Gonzalez-Bello 9:30 MEDI 325. Resetting the antibacterial arms race by enabling a novel Gram negative target. M. Koehler, H.S. Girgis, C.E. Heise, R.I. Higuchi, J. Murray, T.C. Roberts, P. Paraselli, L. Rougé, P.A. Smith 10:00 MEDI 326. Systematic conversion of Grampositive-only compounds into broad-spectrum antibiotics. P.J. Hergenrother

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3:40 MEDI 288. Exon skipping therapy for duch*enne muscular dystrophy – it takes more than an antisense oligonucleotide. A. Aartsma-Rus 4:20 MEDI 289. Small molecule utrophin modulators for the therapy of duch*enne muscular dystrophy (DMD). A.J. Russell, A. Vuorinen, N.J. Willis, D. Conole, M. Chatzopoulou, E. Emer, I. Wilkinson, S.G. Davies, S. Guiraud, S.E. Squire, A. Babbs, H. Dugdale, B. Edwards, S. Hemming, L. Moir, K. Perkins, S. Harriman, F. Wilson, G.M. Wynne, J.M. Tinsley, K.E. Davies

TECHNICAL PROGRAM

MEDI/NUCL 10:30 MEDI 327. Can sideromycins (siderophore-antibiotic conjugates) be effective antibiotics? Challenges and opportunities. M.J. Miller 11:00 MEDI 328. Microbiome: A key player in modulating infectious diseases and antibiotic resistance. O. Danilchanka

Nanomaterials in Drug Delivery: Efficacy & Toxicity Considerations Sponsored by TOXI, Cosponsored by MEDI

WEDNESDAY AFTERNOON SECTION A Boston Convention & Exhibition Center Ballroom West

First Time Disclosure of Clinical Candidates E. F. DiMauro, Organizer, Presiding 1:30 Introductory Remarks. 1:35 MEDI 329. Discovery of a once-weekly NNRTI clinical candidate: A new paradigm for treating HIV-1 infection. Y. Han, C.S. Burgey, K. Menzel, M. Lai 2:15 MEDI 330. Discovery, structure disclosure, and early clinical development of LY3202626, a low-dose, CNS-penetrant BACE inhibitor. D.J. Mergott, J.E. Audia, M. Barberis, J.P. Beck, L.N. Boggs, R.D. Boyer, R.A. Brier, A.N. Borders, L.L. Daugherty, R.A. Dean, L. Ereshefsky, J.A. Erickson, P. Garcia-Losada, H. Gevorkyan, S.J. Green, E.J. Hembre, M.C. Irizarry, D.E. James, S. Jhee, Q. Lin, J.E. Lopez, A. Lo, S.L. Lowe, B.M. Mathes, P.C. May, D.L. McKinzie, S.A. Monk, M. Nakano, W.J. Porter, Y. Shi, S.L. Stout, D.E. Timm, B. Watson, B.A. Willis, L.L. Winneroski, Z. Yang, J.A. Zimmer 2:55 MEDI 331. Discovery of PF-05251749 a selective casein kinase 1 (CK1δ/e) inhibitor for the treatment of circadian rhythm disorders. T.T. Wager 3:35 MEDI 332. Discovery of pyrrolidinamides, a novel chemical class for malaria treatment: First time disclosure of the orally bioavailable clinical candidate GSK701. H. Rami, I. Castellote, F. Gamo, J. Haselden, F. Calderon Romo 4:15 Concluding Remarks.

SECTION B Boston Convention & Exhibition Center Room 210B

General Oral Session A. W. Stamford, Organizer S. K. Cyr, Presiding 1:30 MEDI 333. Discovery of highly isoform-selective Nav1.6 inhibitors that show potent anticonvulsant activity in mouse models for focal seizures and severe childhood epilepsy. T. Focken, M.E. Grimwood, V. Lofstrand, K. Burford, W. Gong, Q. Jia, A. Hasan, M. Taron, W. Zhang, M. Wilson, P. Tari, K. Nelkenbrecher, K. Khakh, S.J. Goodchild, N. Shuart, S. Lin, R. Kwan, L. Sojo, R.J. Devita, S. Wesolowski, C. Cohen, J. Johnson, C.M. Dehnhardt, J.R. Empfield 1:50 MEDI 334. Synthesis, biological activity and druglikeness profile of new leishmanicidal candidates. L.M. Lima, M.A. Alves, A.C. Queiroz, M. Alexandre Moreira, S.E. Haas, E.J. Barreiro 2:10 MEDI 335. Discovery of 2,4-substituted azaindoles as multi-parasite inhibitors: Utilizing a parasite-hopping approach to drug-discovery. K.A. Bachovchin, R. Diaz, G. Ceballos, M. Martinez-Martinez, P. Manzano-Chinchon, R.J. Sciotti, M. Navarro, M.P. Pollastri 2:30 MEDI 336. Click chemistry In Cellulo: Bacterial cell as reaction vessel selectively synthesize macrolide antibiotics. X. Jin, S. Daher, M. Lee, B. Buttaro, R.B. Andrade 2:50 MEDI 337. Structural requirements for the effective myostatin inhibition of myostatin prodomain–derived peptide derivatives. K. Takayama, T. Asari, M. Saitoh, Y. Roppongi, A. Nakamura, A. Taguchi, A. Taniguchi, Y. Hayashi 3:10 MEDI 338. Design, synthesis and biological evaluation of a series of novel 2-benzamide-4-(6-oxy-N-methyl-1naphthamide)-pyridine derivatives as potent fibroblast growth factor receptor (FGFR) inhibitors. A. Zhang 3:30 MEDI 339. Design and synthesis of vesicular monoamine transporter 2 (VMAT2) inhibitors. J.P. Williams, N.D. Harriott, S.R. Hoare, N.J. Ashweek, J. Pires, J. Fan 3:50 MEDI 340. Design and evaluation of immunoproteasome-selective inhibitors for the treatment of autoimmune diseases. C.E. Stivala 4:10 MEDI 341. Peptidomimetics that interact with Rpn-6 as new anti-cancer molecules. W. Tian, D.J. Trader

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4:30 MEDI 342. Evolution of efficient purine PI3Kdelta inhibitors with excellent selectivity and physicochemical properties. J.L. Methot, H. Zhou, M. McGowan, N.J. Anthony, S. Kattar, M. Christopher, Y. Garcia, A. Achab, K. Lipford, Y. Deng, M. Altman, X. Fradera, C. Lesburg, T. Fischmann, C. Li, S. Alves, C. Chappell, R. Jain, P. Goldenblatt, A. Hill, L. Shaffer, D. Chen, V. Tong, R. McLeod, H. Lee, H. Yu, A. Bass, R.A. Kemper, T. Guzi, Y. Ducharme, B. Trotter, S. Shah, J. Katz 4:50 MEDI 343. Discovery of tarantula venom-derived NaV1.7-inhibitory peptide with systemic block of histamineinduced pruritis. B. Wu

WEDNESDAY EVENING SECTION A Boston Convention & Exhibition Center Exhibit Hall B1

General Poster Session A. W. Stamford, Organizer 7:00 – 9:00 MEDI 344. Catalytic difluoroalkylations through controllable difluorocarbene and radical cross-couplings and their applications in medicinal chemistry. X. Zhang MEDI 345. Developing selective SETD8 inhibitors for treating high-risk neuroblastoma. A. Ma, V. Veschi, W. Yu, N. Babault, F. Li, K. Butler, J. Wang, M. Luo, M. Vedadi, P. Brown, C. Arrowsmith, C. Thiele, J. Jin MEDI 346. Development of chemical probes for the TRIM33 bromodomain. L. See, A.R. Scorah, J.P. Bluck, J.K. Reynolds, A.R. Sekirnik, S.J. Conway MEDI 347. Synthesis and anti-bacterial activities of derivatives of 2-aminoimidazoles. R. Alshehry, S. Rasapalli MEDI 348. Hypoxia-activated prodrugs of the KDAC inhibitor panobinostat. E.D. Calder, I.N. Mistry, E.M. Hammond, S.J. Conway MEDI 349. Development of a covalent proteasome inhibitor and kinetic analysis of its inhibitory mechanism. S. Kitahata, F. Yakushiji, S. Ichikawa MEDI 350. Synthesis and evaluation for antibacterial and antibiofilm activities of 2-aminoimidazole Derivatives. S. Rasapalli, V. Sammeta, Z. Murphy, S. Parker MEDI 351. Development of BCL6 protein-protein interaction inhibitors using a fragment-based approach. B. Linhares, H. Cheng, W. Yu, M.G. Cardenas, Y. Ai, W. Jiang, A. Melnick, A.D. MacKerell, F. Xue, T. Cierpicki MEDI 352. Synthesis and 19F NMR-based screening of a library of diverse and three-dimensional fluorinated fragments. N. Andersen, M. Clausen MEDI 353. Development of 8-pyridopyrimidinone-based covalent inhibitors of KDM5B. M. Wright, S. VazquezRodriguez, P. Brennan, A. Kawamura MEDI 354. Structure-based design of extracellular FLT3 inhibitors: First-in-class preclinical candidates for the treatment of neuropathic pain. C. RIVAT, C. Sar, J. Leyris, C. Sonrier, Y. Philipson, M. Schmitt, P. Sokoloff, J. Valmier, D. Rognan MEDI 355. Wnt signaling pathway inhibitors for nonalcoholic fatty liver diseases (NAFLD). F. Xue, Y. Ai, Y. Li, Y. Shu, W. Yang MEDI 356. Study of L-neplanocin analogues: Synthesis and antiviral property. Q. Chen, N. Miller, A. Smith, G. Imhoff MEDI 357. Design, synthesis and biological evaluation of D3 antagonists with an aryl linker motif. P. Cordone, B. Muniz, E. Gallicchio, R. Pal, T.P. Kurtzman, W. Harding MEDI 358. 4-Fluoropiperidine amides as fatty acid synthase inhibitors. C.A. Zificsak, N.C. Becknell, A.K. Ghose, T.S. Angeles, M.A. Ator, L.D. Aimone, S.J. Miknyoczki, P. Dobrzanski, B.A. Ruggeri, R.L. Hudkins MEDI 359. Optimization of aryl sulfonamides as CNS penetrant, isoform-selective NaV1.6 inhibitors with efficacy in mouse models of epilepsy. K. Burford, T. Focken, J. Andrez, M.E. Grimwood, A. Zenova, M. Taron, W. Gong, S. Decker, S. Chowdhury, N. Shuart, P. Tari, R. Kwan, L. Sojo, R.J. Devita, C. Cohen, J. Johnson, S.S. Wesolowski, J.R. Empfield, C.M. Dehnhardt MEDI 360. Carbon dot@NaTbF4 for imaging and in vivo drug delivery. R. Li MEDI 361. Synthesis and evaluation of 18F-radiolabeled anticancer agents as tracers of nucleic acid metabolism. A.K. King, A. Doepner, D. Turton, D.M. Ciobota, G. KramerMarek, G. Smith MEDI 362. First asymmetric synthesis of dihydro-thienoindol scaffold, the alkylation subunit of NMS-P528, a new highly promising agent for ADC generation. P. Orsini, M. Caruso, I. Candiani, N. Colombo, M. D’Anello, R. Frigerio, F. Gasparri, D. Ramella, B. Valsasina, D. Donati

MEDI 363. Design and synthesis of potent DNA alkylating indolino-benzodiazepine compounds (BIAs) linked with a DNA binding moiety for use in antibody-drug conjugates (ADCs). E.E. Reid, K.E. Archer, M. Shizuka, M.A. McShea, E.K. Maloney, O. Ab, L. Lanieri, A. Wilhelm, J.F. Ponte, N.C. Yoder, R.V. Chari, M.L. Miller MEDI 364. Imidazo[1,2-b]pyridazines as potent glycogen synthase kinase-3β inhibitors for the potential treatment of Alzheimer’s disease. R.A. Hartz, V. Ahuja, P. Sivaprakasam, C. Burton, H. Xiao, C. Krause, W. Clarke, K. Kish, H. Lewis, J.E. Macor, G.M. Dubowchik MEDI 365. Embrace the sulfonamide! The unusual pathway from the identification to the optimization of PERK inhibitors. D. Carenzi, E. Casale, M. Fasolini, I. Motto, I. Beria, M. Silvagni, C. Perrera, B. Valsasina, D. Donati, E.R. Felder, A. Galvani, A. Isacchi, M. Pulici MEDI 366. N-(2,4-difluoro-3-((6-(2-fluoropyridin-3-yl) quinazolin-4-yl)amino)phenyl)propane-1-sulfonamide (DRF0529) as a novel RAF kinase inhibitor. S. Peng, C. Liao, M. Kuo, S. Yen, H. Huang, J. Yang, Y. Liu, S. Ciou MEDI 367. Improving peptide pharmaco*kinetics through tryptophan late-stage lipidation. C. Huang, H. He, V. Reddy, R.P. Nargund, S. Lin, A. Palani MEDI 368. Discovery of new oxindoles derivative as potent and selective AMPK activators. O. Venier, C. Namane, E. Fett, e. Nicolai, P. Mougenot, P. Paul, B. Cornet, P. ChamiotClerc MEDI 369. Discovery of 2-aminoisobutyric acid ethyl ester (AIBEE) phosphoramidate prodrugs that deliver high levels of the active triphosphate of nucleoside HCV inhibitors in human hepatocytes and in dog liver biopsy studies. J.T. Randolph, T. Li, A.C. Krueger, H.R. Heyman, H. Chen, D. Bow, C. Van Handel, V. Peterkin, R.A. Carr, D. Stolarik, T. Dekhtyar, M. Irvin, P. Krishnan, R. Wagner, D.A. DeGoey MEDI 370. Design, synthesis and biological evaluation of novel 4-phenylisoquinolinone BET bromodomain inhibitors. M. Bennett, Y. Wu, A. Boloor, J. Matuszkiewicz, S. O’Connell, L. Shi, R. Stansfield, J. Del Rosario, J. Veal, D. Hosfield, J. Xu, S. Kaldor, J. Stafford, J.M. Betancort MEDI 371. Anti-filarial activity of natural neurolenin D and synthetic neurolenin derivatives. L. Perez-Perez, S.A. Williams, K.M. Shea MEDI 372. Identifying compounds that restore normal cellular function in Frontotemporal dementia caused by progranulin haploinsufficiency. M. Telpoukhovskaia, K. Liu, F. Sayed, J. Etchegaray, Y. Zhou, D. Le, M. Xie, M.S. Bogyo, S. Ding, L. Gan MEDI 373. Metal-free and mild approach to 1,3,4-oxadiazol2(3H)-ones via oxidative C-C bond cleavage using molecular oxygen. B. Lim, S. Park, J. Park, J. Gam, S. Kim, J. Yang, J. Lee MEDI 374. Design and synthesis of dimeric tetrahydroxanthones as anticancer agents. R. Ali, G.A. Bradshaw, A.N. Leveille, A.E. Mattson MEDI 375. Four series of estrane derivatives as selective inhibitors of cytochrome P450 (CYP 1B1): Design, synthesis and evaluation. D. Poirier, R. Dutour, J. Roy, R. Maltais, F. Cortés-Benitez MEDI 376. REAL database a comprehensive database of synthetically feasible molecules: an update. Y. Moroz, M. Vybornyi, P. Mykhailiuk MEDI 377. Synthesis of novel bicyclic amines and their application for drug design. P. Mykhailiuk MEDI 378. Design, synthesis, and evaluation of improved aminoglycosides. M.G. Pirrone, T. Matsush*ta, G.C. Sati, T. Kato, S.N. Hobbie, T. Schrepfer, J. Schacht, A. Vasella, E.C. Bottger, D. Crich MEDI 379. Fully automated radiosynthesis of carbon11-labeled 5-HT6R antagonists as new candidate PET radioligands for imaging of Alzheimer’s disease. M. Wang, M. Gao, Q. Zheng MEDI 380. Interaction of novel immunogenic cell death-inducing azonafides with DNA: A biophysical study. S.G. Tarasov, P. Andrade Bonilla, W. Zhang, S. Sinha, N. Tarasova MEDI 381. Kinetic isotope effects of a 1,2,3,6-tetrahydropyridine-derived MAO-B substrate. L. Drake, A. Mufarreh, J. Pham, A.F. Brooks, M. Kilbourn, P. Scott MEDI 382. Two strategies for imaging the receptor for advanced glycation end products. L. Drake, A.F. Brooks, P. Scott MEDI 383. Aromatic sulfonamide library of human carbonic anhydrase IX inhibitors – towards anticancer drug design through chemical and crystallographic structure correlations with the thermodynamics of binding. V. Linkuviene, A. Zubriene, V. Paketuryte, A. Smirnov, V. Petrauskas, D. Matulis MEDI 384. Elucidating the enzymatic activity of HDAC11. C. Moreno Yruela, I. Galleano, A.S. Madsen, C.A. Olsen

MEDI 410. PPARd modulators improve mitochondrial function: Potential treatment for duch*enne muscular dystrophy (DMD). B. Lagu, A.F. Kluge, E. Tozzo, M. Goddeeris, P. Dwyer, A. Basinsky, R. Fredenburg, R. Senaiar, M. Jaleel, N. Krishnamurthy, A. Lakshminarasimhan, N. Tiwari, T. Takahashi, M.A. Patane MEDI 411. Novel synthetic method for 5-aminooxan-3-ol hydrochloride. J. Li, L. Qi, Q. Fei, H. Li, M. Yang MEDI 412. Synthesis and application of unnatural proline analogues: Advanced building blocks for medicinal chemistry. P. Mykhailiuk, Y. Moroz, O. Michurin MEDI 413. Design, synthesis and application of novel building blocks to “Escape the Flatland” in medicinal chemistry. Y. Moroz, P. Mykhailiuk, A. Tolmachev MEDI 414. [2+2]-photochemical synthesis and application of bicyclic amines: Advanced building blocks for medicinal chemistry. Y. Moroz, P. Mykhailiuk, V. Levterov MEDI 415. Polyfunctional building blocks for drug discovery. O. Gavrylenko, Y. Moroz, B. Rogovoy MEDI 416. Design, synthesis and application of novel morpholine surrogates. P. Mykhailiuk MEDI 417. Design and synthesis of novel fluorinated amines. P. Mykhailiuk MEDI 418. Total synthesis of nosokophic acid. D. Pena, T. Tetrault, M.A. Boudreau MEDI 419. Distorted phthalocyanines via click-chemistry: synthesis, photoacoustic, photothermal and cell studies. W. Rizvi, E. Khwaja, N.K. Bhupathiraju, A. Rizvi, C.M. Drain MEDI 420. Click chemistry on chlorins. N. Bhupathiraju, W. Rizvi, C.M. Drain MEDI 421. Using adducts and fragments to identify compounds in mass-directed flash column chromatography. J.R. Bickler MEDI 422. Calibration of analytical HPLC to generate preparative LC gradients. J.E. Silver, R. Sorgo, A. Darter MEDI 423. Methanol as an alternative mobile phase solvent for reversed-phase peptide purification. E. Denton, J.R. Bickler, J.J. Urh MEDI 424. Development of HPLC methods for analysis of cholesteryl esters with alkyl chains of odd number length. K. Lilly, M.Q. Irving, J. Hughes, J. Schentag, L. Mielnicki, M. McCourt MEDI 425. pro-Pyrrolobenzodiazepine (pro-PBD) bioconjugates, part 3: Design and synthesis of pro-PBD conjugates containing a self-immolative substituted disulfide linkers. I.R. Vlahov, L. Qi, H.K. Santhapuram, G.L. Parham, K.Y. Wang, J.F. Vaughn, S.J. Hahn, M. Vetzel, M. Nelson, J. Reddy, C.P. Leamon MEDI 426. pro-Pyrrolobenzodiazepine (pro-PBD) bioconjugates, part 4: Design of novel oxime-based pro-PBD conjugates that release active drug via intramolecular diazepine-ring-closure. I.R. Vlahov, A. Felten, N. Zou, K.Y. Wang, S.J. Hahn, J.F. Vaughn, M. Vetzel, M. Frieden, M. Nelson, J. Reddy, C.P. Leamon MEDI 427. Drug delivery of xanthohumol to adipocytes using ultrasmall superparamagnetic iron oxide nanoparticles (USPIO). I. Khaki Najafabadi, V.V. Mody, J. Samuels, R. Dansby-Sparks, S. Raylam, A. Singh, R. Deshmukh MEDI 428. Hygromycin A, an antimicrobial with selective activity against Borrelia burgdorferi for treatment of Lyme disease. Y. Imai, X. Wu, M. Caboni, Q. Favre-Godal, S. Niles, K. Megan, A. Iinishi, K. Lewis MEDI 429. Evaluation of antibacterial activity of Vangueria volkensii extracts. A.K. Addo-Mensah, D. Holland MEDI 430. Synthesis and biological evaluation of benzimidazoles as FKBF inhibitors. S.K. De MEDI 431. Disabling the resistance of methicillin-resistant Staphylococcus epidermidis (MRSE). A.K. Lam, M. Foxley, C.V. Rice MEDI 432. Regioselectivity of N-substituted 3-nitropyrazole alkylations. S. Bao, J. Perea, N. Norman, A. Huang MEDI 433. Targeting trimethylamine oxide biosynthesis pathway discovery of new inhibitors against TMA lysate protects against atherosclerosis lesion, MI and stroke. A. Duzan MEDI 434. Targeting the trimethylamine oxide biosynthesis pathway: Discovery new novel inhibitors against gut microbial TMA lysate protects against atherosclerosis lesion, MI and stroke. A. Duzan, A. Roberts, J. Buffa, S. Hazen, V. Gogonea MEDI 435. DCBCO1303-a promising inhibitor of smomediators of hedgehog pathway signalling. M. Kuo MEDI 436. Studies into the enzymatic action and immunomodulatory activity of isopentenyl-diphosphate isomerase. M.A. Schladetsch, A.J. Wiemer

MEDI 437. Practical modular synthesis of targeted imaging agents for MRI, PET and PET-MRI. K. Jones, A. Sweeny-Jones, J. Perez, S. Beach, C. Weidman, M. Regan, S. Williams, H.F. Schmitthenner MEDI 438. Activity prediction by target fingerprinting. P. Schneider MEDI 439. Prenylated isoflavones: Comparison of distribution coefficients, hydrogen bonding acidity values and positions within detergent micelles. S. Tuck, W.L. Whaley, M. Abraham MEDI 440. Theranostic antibody-drug conjugates for potential dual application in targeted therapy and fluorescence imaging of colorectal cancer. S. Ren, X. Sun, H. Xu, T. Nguyen, C. Kang, N. Sadeghipour, X. Xu, N. Wu, Y. Chen, K. Tichauer, D.D. Minh, H.S. Chong MEDI 441. New bifunctional ligands of Zr-89 for potential applications in antibody-targeted positron emission tomography (PET) imaging and precision medicine. Y. Chen, S. Ren, C. Kang, Y. Liu, S. Zhang, H.S. Chong MEDI 442. Targeted nanoparticles for pathogen-specific drug delivery. L. Schnorbus, L.J. Perez MEDI 443. Fructose-enhanced antimicrobial activity of selfassembled nano peptide amphiphiles for treating antibiotic resistant infections. M. Gao, K. Chang, d. Wang, Y. Li, L. Sun, S. Lustig, T. Webster MEDI 444. Solid lipid nanoparticles (SLN) from ketogenic diet lipids: Anxiolytic and anticonvulsant effect. E.V. Toledo MEDI 445. Aminolipid structure-activity relationships in lipid nanoparticle in vivo performance. M.A. Cornebise, K. Benenato, L. Brito, W. Butcher, K. Davis, J. Deterling, K. Hassett, N. Jordan, L. Knowles, E.S. Kumarasinghe, D. Mampreian, J. Milton, K. Olsen, S. Sabnis, T. Salerno, J. Sanabria, A. Sengooba, P. Shah, M. Stanton, A. Woods MEDI 446. Preparation and characterization of new solid micro and nanodispersions of amorphous drugs. J. Cruz, P. Morales, C. Martínez, M. Videa, L.M. Martínez MEDI 447. Design and development of small molecule RelA/RSH inhibitors. D.C. Hall, H. Ji, G.D. Ehrlich, J. Krol MEDI 448. Reducing tau phosphorylation using synthetic peptides: Developing peptide-based inhibitors of microtubule affinity regulating kinase 2 (MARK2). J.M. Holub, N. Alqaeisoom, C. Qian, D. Arachchige, R. Colvin MEDI 449. Synthesis of water soluble anthraquinoneaminoacrylamides and their glioblastoma cell viability. N. Pianovich, B.S. Jursic MEDI 450. Synthesis and characterization of aspirin and indomethacin prodrugs. A. Mahmoud, H.D. Tabba, Y.M. Hijji MEDI 451. hom*ology models of G protein-coupled receptors: quantitative studies to assess feasibility and applicability to drug discovery. S. Costanzi MEDI 452. Way2drug platform – ligand-based approach to drug repurposing. D. Druzhilovskiy, A. Rudik, D. Filimonov, G. Sastry, V. Poroikov MEDI 453. Cholesteryl ester vesicle-mediated delivery of GFP plasmid into retinal epithelial cells in vitro. R. Meechan, M.Q. Irving, J. Hughes, J. Fraser-McArthur, J. Schentag, L. Mielnicki, M. McCourt MEDI 454. Fragment-based approaches to targeting the CoA pathway. A.G. Coyne MEDI 455. Three new cytotoxic steroidal glycosides isolated from Conus pulicarius collected in Kosrae, Micronesia. Y. Lee, S. Kim, H. Lee, J. Lee, J. Lee

NUCL

Division of Nuclear Chemistry and Technology J. Auxier, Program Chair SOCIAL EVENTS: Social Hour, 6:30 PM: Tue BUSINESS MEETINGS: Business Meeting, 4:00 PM: Sun Business Meeting, 5:30 PM: Tue

SUNDAY MORNING SECTION A Seaport Boston Hotel Flagship A

201

TECHNICAL PROGRAM

MEDI 385. Conformationally locked UDP and UP3U analogues as P2Y6 receptor agonists. K.S. Toti, S. Jain, A. Ciancetta, R. Balasubramanian, S. Chakraborty, R. Surujdin, Z. Shi, K.A. Jacobson MEDI 386. Synthesis, structural characterization and butyrylcholinesterase inhibition studies of ferrocene based anilides. A. Altaf, A. Badshah, D.C. Crans MEDI 387. Design, synthesis, insecticidal activity and structure–activity relationship (SAR) of (1R)-(+)-verbenone derivatives. M. Kim, K. Lee, Y. Choi MEDI 388. Potential lead compounds for the treatment of Alzheimer’s disease: A peptide that blocks amyloid β induced neurotoxicity. K. f*ckuhara, T. Arai, A. Ohno, K. Mori, M. Shibanuma, N. Miyata, H. Nakagawa MEDI 389. Unprecedented enantiomeric discrimination of the two chiral-forms of DNA “light-switching” Ru(II) cationic complex by living-cells via ion-pairing with achiral counteranions. B. Zhu MEDI 390. N-glycosylation inhibitors towards novel anti-cancer chemotherapeutics. K. Mitachi, S. Eslamimehr, S.M. Kurosu, M. Kurosu MEDI 391. Design, synthesis and biological evaluation of novel discodermolide analogues leading to suppression of senescence and an increase cancer cell death. B. Guo, A.B. Smith, H.M. Mcdaid, S.B. Horwitz MEDI 392. Insight into the drug likeness of 4-aminoantipyrine based thioureas: Synthesis, biological evaluation, molecular docking and molecular dynamic simulation studies. A. Khurshid, A. Saeed MEDI 393. Colorectal cancer inhibition and cellular activities of (Z)-2-cinnamamido-3- phenyl-Npropylpropenamide (MOS-1512A). K. Alireza MEDI 394. In vitro and in vivo activity of peptidomimetic compounds that target the periodontal pathogen Porphyromonas gingivalis. P. Patil, J. Tan, D.R. Demuth, F.A. Luzzio MEDI 395. Synthesis of fluorescent goldnanocluster used in metal pollution sensing. K. Sanyal MEDI 396. Synthesis of the analogs of oxazolidine moiety contained in antitumor agents. T. Yang, S. Huang, Y. Shih MEDI 397. Synthesis and identification of prodrug: Using diclofenac sodium as the main drug. I. Gunawan, H.D. Tabba MEDI 398. Novel biochemical insights in cerebrospinal fluid of patients with Neurosyphilis based on metabonomics study. S. Qi, R. Luo, Q. Chen, D. Xu MEDI 399. Synthesis and anti-microbial evaluation of novel dihydrophthalazine-1, 4-diones congeners via green synthetic methodology. V. Chittireddy MEDI 400. Chemical synthesis and biological evaluation of unnatural analogs of Amorfrutin. L. Barasa MEDI 401. Drug-drug interactions severity prediction using PASS approach. A. Dmitriev, D. Filimonov, A. Lagunin, A. Rudik, D. Karasev, K. Murtazalieva, V. Poroikov MEDI 402. Discovery of pharmacological potential of 9,10-anthaquinone dithiocarbamates: Virtual screening and experimental study. M. Stasevych, V. Zvarych, V. Novikov, S. Zagorodnya, O. Povnitsa, M. Chaika, M. Nesterkina, I. Kravchenko, T. Gloriozova, V. Poroikov MEDI 403. Structure activity relationship (SAR) studies of NNRTI (non-nucleoside reverse transcriptase inhibitors) and nucleotide reverse transcriptase (NRTI) used to combat HIV, using Gaussian computational techniques. S. Narayan, D.Z. Burgan, K.Y. Baldwin MEDI 404. Discovery and characterization of small molecules of long noncoding MALAT1 triple helix with anticancer therapeutic potential. F. Abulwerdi, W. Xu, A. Ageeli, M. Yonkunas, G. Arun, J. Schneekloth, N.J. Baird, D. Spector, S. Le Grice MEDI 405. Detection of butyrylcholinesterase in living systems using a highly specific near-infrared fluorogenic substrate. G. Yang, S. Liu, W. Yang MEDI 406. Biological activity of photoactivated iron metallocene anti-cancer compounds. P. Olsen, J.M. O Connor MEDI 407. Asymmetric total synthesis of novel resolvin conjugates in tissue regeneration (RCTR). T.F. Lam, R. Nshimiyimana, N.A. Petasis MEDI 408. Stereocontrolled total synthesis of novel resolvinrelated sulfidoconjugates. R. Nshimiyimana, T.F. Lam, N.A. Petasis MEDI 409. Improved synthesis of cis-1, 4-cyclohexanediol. W. Liu, H. Li, M. Yang

TECHNICAL PROGRAM

NUCL/ORGN Honor Symposium for Dr. Leonard Mausner Cosponsored by PROF C. S. Cutler, S. S. Jurisson, Organizer, Presiding 8:00 Introductory Remarks. 8:05 NUCL 1. Leonard Mausner’s leadership and accomplishments within the Department of Energy Isotope Program. M. Garland 8:25 NUCL 2. High power accelerator targets for large scale production of radionuclides at intermediate energies. F.M. Nortier 8:45 NUCL 3. American Chemical Society’s summer schools in nuclear and radiochemistry. L. Pena, P. Baisden, A.L. Van Wyngarden, J.D. Robertson 9:05 Intermission. 9:20 NUCL 4. Evaluation of neutron inelastic scattering for radioisotope production. S. Mirzadeh, J. Griswold, M. Garland 9:40 NUCL 5. Radioisotope research and production for radioimmunotherapy: A multidisciplinary collaborative effort. K. Kolsky 10:00 NUCL 6. Reactor production of promethium-147 for application in beta voltaic batteries. K. Broderick, R. Lusk, J. Griswold, R.A. Boll, M. Garland, L. Heilbronn, S. Mirzadeh 10:20 NUCL 7. Impact of inorganic chemistry and Leonard Mausner on radiopharmaceutical development. C.S. Cutler 10:40 Intermission. 10:55 NUCL 8. Radium targets for the reactor production of alpha-emitting medical radioisotopes. R. Copping, D. Denton, K. Murphy, E. Hickman, C. Marcus, D. Stracener, S. Mirzadeh 11:15 NUCL 9. PHITS and MCNP6 Monte Carlo simulations for the 232Th(p, 4n)229Pa reaction cross section at 192 MeV compared with the experimental cross section. J. Griswold, D.G. Medvedev, R. Copping, L.F. Mausner, L. Heilbronn, S. Mirzadeh 11:35 NUCL 10. Challenges and opportunities in radioisotope research and development irradiations at Brookhaven Linac isotope producer. D.G. Medvedev, A. DeGraffenreid, V.A. Sanders, S.O. Kurczak, L. Muench, S. Bellavia, C. Cullen, C.S. Cutler, L.F. Mausner 11:55 NUCL 11. Thirty six years of radioisotope research: some of the fun stuff. L.F. Mausner

SUNDAY AFTERNOON SECTION A Seaport Boston Hotel Flagship A

New Radioisotope Chemistry for Nuclear Medicine J. D. Brockman, R. P. Planalp, Organizers, Presiding 2:00 Introductory Remarks. 2:05 NUCL 12. Ligand design for alpha therapy nuclides. J.J. Wilson, N.A. Thiele, V. Radchenko 2:35 NUCL 13. Pseudo-synthesis-free PET imaging of αvβ3 integrin via its pro-ligand. J. Yang, J. Yang, C. Ran 3:05 NUCL 14. Synthesis of novel Zr-89 bifunctional ligands based on desferrioxamine: Design, eight-coordination, and speciation. R.P. Planalp, A. Chung, B.S. Barron, M. Abdalrahman 3:35 Intermission. 3:55 NUCL 15. Engineering lanthanide-binding proteins for hepatocellular carcinoma detection and treatment. M.P. Takacs, Z. Lengyel, A. Kulesha, I.V. Korendovych 4:25 NUCL 16. Mn-52 radiolabelling for quantitative characterization of Mn-based MRI contrast agents. H. Wang, I. Ramsay, P. Caravan, E. Gale 4:55 Concluding Remarks.

MONDAY MORNING SECTION A

9:20 NUCL 20. Comparison of microwave dissolution to open vessel fusion methods using ammonium bifluoride for dissolution of post nuclear detonation debris. N. Hubley, M. Rearick, C. Liebman, W. Dana, T. Weilert, J.D. Robertson, J.D. Brockman 9:40 NUCL 21. Measuring key isotope ratios in two irradiated UO2 fuel samples for the attribution forensics of separated Pu. K.J. Glennon, J.M. Osborn, J.D. Burns, E.D. Kitcher, S.S. Chirayath, C.M. Folden 10:00 NUCL 22. BET surface analysis of ADU materials. J. Dorhout, G. Wagner, N. Wozniak, M.P. Wilkerson 10:20 Intermission. 10:35 NUCL 23. Experimental and theoretical analysis of selective binding of lanthanides and actinides. D.A. Penchoff, C.C. Peterson, M.S. Quint, J.R. Powers-Luhn, J.D. Auxier, G.K. Schweitzer, D.M. Jenkins, R.J. Harrison, H.L. Hall 10:55 NUCL 24. First principles investigation of the structural and bonding properties of hydrated actinide (IV) oxalates, An(C2O4)2●6H2O (An = U, Pu). K.E. Garrett, A. Ritzmann, F.N. Smith, S.H. Kessler, N. Henson, D.G. Abrecht 11:15 NUCL 25. Application of a silicon drift detector to actinide L X-rays. R.S. Rundberg, A. Roman, K. Shield, K. Thornock

Chemistry of Molten Salts Sponsored by I&EC, Cosponsored by NUCL

MONDAY AFTERNOON SECTION A Seaport Boston Hotel Flagship A

Environmental Radiochemistry Cosponsored by GEOC M. Altmaier, X. Gaona, B. A. Powell, M. Zavarin, Organizers A. E. Hixon, D. T. Reed, Organizers, Presiding 1:00 NUCL 26. Thermodynamic data selection. Filling the gap between NEA-TDB and performance assessment needs. L. Duro, M. Grivé, E. Colàs 1:30 NUCL 27. Reference thermodynamic data for modelling of deep geological repositories: The NEA Thermochemical Database (TDB) Project. M. Ragoussi, J. Martinez 1:50 NUCL 28. Thermodynamic modelling of Selenium in environmental conditions: Traps, pitfalls and perspectives. F. Bok, N. Jordan, V. Brendler 2:10 NUCL 29. Keggin POMs as metal oxide models to understand the binding and stability of Tc-99. S. Pollozi, L.C. Francesconi, D.M. McGregor, G.E. Lopez 2:30 Intermission. 2:50 NUCL 30. Solution chemistry of Pu in alkaline reducing systems: Redox, solubility and complexation with organic ligands. X. Gaona, A. Tasi, D. Fellhauer, T. Rabung, J. Rothe, R. Polly, M. Grivé, E. Colàs, J. Bruno, K. Källström, M. Altmaier, H. Geckeis 3:10 NUCL 31. Plutonium redox interactions in ternary ironEDTA systems. N. Moore, E. Yalcintas, D.T. Reed, A.E. Hixon 3:30 NUCL 32. NpO2(s) dissolution under vadose zone conditions. K.M. Peruski, M. Maloubier, D. Kaplan, B.A. Powell 3:50 NUCL 33. Effect of EDTA on An(IV) chemistry under repository relevant conditions. E. Yalcintas, X. Gaona, M.K. Richmann, M. Altmaier, D.T. Reed 4:10 NUCL 34. Reductive removal of Tc and Cr from a waste stream using zero valent iron. H.P. Palmer Emerson, D. Boglaienko, A. Gebru, J. Williams, A. Maria, T.G. Levitskaia, Y. Katsenovich

Chemistry of Molten Salts Sponsored by I&EC, Cosponsored by NUCL

Seaport Boston Hotel Flagship A

TUESDAY MORNING

Nuclear Forensics

Seaport Boston Hotel Flagship A

J. D. Auxier, T. A. Bredeweg, R. G. Surbella, Organizers, Presiding 8:00 Introductory Remarks. 8:05 NUCL 17. Development of synthetic nuclear melt glass representative of an urban post detonation environment for forensic analysis. N. Kaminski, G. Bull, D.E. Riegner, R. Gilbreath, J. Alexander, M. James, D. Zheng 8:25 NUCL 18. Mass transport in glassy fallout particles from a near surface nuclear explosion. D. Weisz 8:45 NUCL 19. Chemical analysis of synthetic nuclear melt glass (urban). G. Bull, D.E. Riegner, N. Kaminski 9:05 Intermission.

202

SECTION A

Environmental Radiochemistry Cosponsored by GEOC M. Altmaier, A. E. Hixon, B. A. Powell, D. T. Reed, Organizers X. Gaona, M. Zavarin, Organizers, Presiding 8:00 NUCL 35. Studies on An(IV)-hydroxo-carbonate complex formation along the An(IV) = Th, U, Np, Pu series. M. Altmaier, J. Schepperle, E. Yalcintas, N. Cevirim, D. Fellhauer, X. Gaona, H. Geckeis 8:30 NUCL 36. Different iron (hydr) oxide modified cementitious material for uranium (VI) immobilization. B. Cao, S. Fan, M. Li, Y. Hu

8:50 NUCL 37. Technetium sulfide as a potential immobilization form for Tc-99 in the environment: Stability and dissolution studies. R.K. Gudavalli, N.P. Qafoku, V. Anagnostopoulos 9:10 NUCL 38. Observation and characterization of Pd-Te compounds within noble metal inclusions in spent nuclear fuel. S.H. Kessler, T. Lach, E. Buck, J. Schwantes, R. Clark 9:30 Intermission. 9:50 NUCL 39. Competitive metal and REE coprecipitation with ferrihydrite nano-particles. C. Zhu 10:20 NUCL 40. Kinetics of the uranyl peroxide nanocluster U60 sorption to goethite and magnetite. L.R. Sadergaski, A.E. Hixon 10:40 NUCL 41. Isotopic signature and nano-texture of cesium-rich micro-particles: Release of uranium and fission products from the f*ckushima Daiichi Nuclear Power Plant. J. Imoto, A. Ochiai, M. Suetake, R. Ikehara, K. Horie, M. Takehara, S. Yamasaki, T. Ohnuki, G.T. Law, B. Grambow, R.C. Ewing, S. Utsunomiya 11:00 NUCL 42. Investigation of magnetic nanoparticles (Fe3O4) anchored 3D-Graphene Foam (3D-MGF) as an adsorbent for strontium adsorption using Central Composite Design (CCD) method. S. Kasap

TUESDAY AFTERNOON SECTION A Seaport Boston Hotel Flagship A

Environmental Radiochemistry Cosponsored by GEOC X. Gaona, A. E. Hixon, D. T. Reed, M. Zavarin, Organizers B. A. Powell, M. Altmaier, Organizers, Presiding 1:00 NUCL 43. Soil organic matter and plutonium interactions. D. Kaplan, C. Xu, P. Lin, K. Schwehr, N. Fujitake, C. Yeager, P.H. Santschi 1:30 NUCL 44. Biogeochemistry of plutonium in subsurface environments. D.T. Reed, J. Swanson 1:50 NUCL 45. Examining radionuclide uptake by flora surrounding the Olympic Dam Cu-U-Au-Ag Mine in South Australia. S. Pandelus, A. Pring, C.E. Lenehan, R.S. PopelkaFilcoff 2:10 NUCL 46. Potential for transport of cesium and lanthanides as biocolloids in a high ionic strength system. F. Zengotita, H.P. Palmer Emerson, T.M. Dittrich, J. Swanson, M.K. Richmann, D.T. Reed 2:30 Intermission. 2:50 NUCL 47. Plutonium phases in Hanford-derived wastes. E. Buck, D.R. Reilly 3:20 NUCL 48. Desorption kinetics of plutonium from altered nuclear melt glass colloids. C. Joseph, E. Balboni, T. Baumer, K. Treinen, A. Kersting, M. Zavarin 3:50 NUCL 49. Equilibrium and kinetic studies of lanthanide and actinide sorption to aluminum (hydr)oxide minerals. T. Baumer, A.E. Hixon 4:10 NUCL 50. Batch sorption of Eu, U, Np, and Pu to the iron oxide mineral hematite was examined at variable temperatures and ionic strengths. B.A. Powell, J. Mangold, A. Schnurr

WEDNESDAY MORNING SECTION A Seaport Boston Hotel Flagship A

General Topics in Radiochemistry L. C. Francesconi, Organizer, Presiding 8:00 Introductory Remarks. 8:05 NUCL 51. 18F-Deoxyfluorination of phenols via Ru π-complexes. M. Beyzavi, D. Mandal, M. Strebl, C. Neumann, E. D’Amato, J. Chen, J.M. Hooker, T. Ritter 8:25 NUCL 52. Gas-phase complexes of lanthanides and americium with bis-triazynl pyridine. T. Jian, D. Dan, T.E. Albrecht-Schmitt, J.K. Gibson 8:45 NUCL 53. Synthesis and characterization of gas-phase uranyl peroxide dimer complexes. J. Jian, Q. Wu, S. JansonePopova, A. Bubas, I. Tatosian, M.J. Van Stipdonk, J. Martens, G. Berden, J. Oomens, W. Shi, J.K. Gibson 9:05 Intermission. 9:20 NUCL 54. How x-ray absorption spectroscopy merge with theoretical models to solve actinides and technetium structure in solvent extraction. T. Dumas, M. Charbonnel, N. Boubals, E. Acher, D. Guillaumont, C. Tamain 9:40 NUCL 55. Experimental and computational investigation of the separation mechanism of ALSEP. B.D. Etz, G. Picayo, A.T. Ta, M.P. Jensen, S. Vyas

Visualizing Heavy Element Contamination in the Environment at the Nanoscale Sponsored by GEOC, Cosponsored by ENVR and NUCL‡

WEDNESDAY AFTERNOON SECTION A Seaport Boston Hotel Flagship A

Radiochemistry Education M. A. Deri, D. M. McGregor, Organizers, Presiding 1:00 Introductory Remarks. 1:05 NUCL 57. Educational outreach using nuclear science and fiction in Star Trek. J.C. Bryan 1:25 NUCL 58. Teaching nuclear science in the general education curriculum. A.C. Mignerey 1:45 NUCL 59. Video-based approach to incorporating radiochemistry into the general chemistry curriculum and as an upper level elective for undergraduate chemistry majors. S. Pollozi, D.M. McGregor 2:05 Intermission. 2:25 NUCL 60. Nuclear workforce development: The University of Missouri experience. S.S. Jurisson 2:45 NUCL 61. Interdisciplinary approach to radiochemistry education at Colorado State University. R. Sudowe 3:05 NUCL 62. Radiochemistry at the Colorado School of Mines: Golden opportunities. J.C. Shafer, M.P. Jensen 3:25 NUCL 63. Returning the radio to chemistry: Integrating radiochemistry into a Ph.D. program at Hunter College catalyzed by the NSF-IGERT program. L.C. Francesconi 3:45 Concluding Remarks.

WEDNESDAY EVENING SECTION A Boston Convention & Exhibition Center Exhibit Hall B2/C

Computational Methods for Lanthanides and Actinides: Theory & Applications Cosponsored by COMP D. A. Penchoff, C. Peterson, Organizers 6:30 – 8:30 NUCL 64. Physicochemical properties of defect laden uranium. D. Pope, A.E. Clark NUCL 65. Software and analysis methods for the determination of americium in plutonium via alpha spectrometry. D.R. Porterfield, M.D. Yoho, J. Rim, S. Landsberger NUCL 66. Making americium-241 greatly again. D.R. Porterfield, J. Rim, M.D. Yoho NUCL 67. Radiochemistry education through controlled remote instrumentation. D.R. Porterfield

SECTION A Boston Convention & Exhibition Center Exhibit Hall B2/C

Environmental Radiochemistry M. Altmaier, X. Gaona, A. E. Hixon, B. A. Powell, D. T. Reed, M. Zavarin, Organizers 6:30 – 8:30 NUCL 68. Solubility, complexation and redox behaviour of Tc(IV): Effect of carbonate, sulfate and nitrate. X. Gaona, A. Baumann, S. Duckworth, E. Yalcintas, R. Polly, M. Altmaier, H. Geckeis NUCL 69. Studies on actinide chemistry at elevated temperatures at KIT-INE within the German collaborative ThermAc project. M. Altmaier, F. Endrizzi, J. Lee, D. Fellhauer, X. Gaona NUCL 70. Actinide solubility and speciation in the WIPP. D.T. Reed, M.K. Richmann, J. Swanson, E. Yalcintas NUCL 71. Fate of actinides in the presence of EDTA and dolomite at variable ionic strength. H.P. Palmer Emerson, F. Zengotita, D.T. Reed NUCL 72. Role of methods from voluntary consensus standards development organizations. D.R. Porterfield

THURSDAY MORNING SECTION A Seaport Boston Hotel Flagship A

Radiochemistry Education M. A. Deri, D. M. McGregor, Organizers, Presiding 8:30 Introductory Remarks. 8:35 NUCL 73. Nuclear and Radiochemistry at the University of Alabama at Birmingham. S.E. Lapi 8:55 NUCL 74. Environmental radiochemistry at the University of Central Florida: Biogeochemical transformations of radionuclides in the environment. V. Anagnostopoulos 9:15 NUCL 75. Training students within the Actinide Center of Excellence. A.E. Hixon, J.E. Szymanowski, G. Sigmon, P.C. Burns 9:35 NUCL 76. Radiochemistry education opportunities at Lawrence Livermore National Laboratory. M. Zavarin 9:55 Intermission. 10:15 NUCL 77. Making radiochemistry meaningful to high school students through engagement at a national laboratory. A. Perez, B. Uzzi, C.S. Cutler 10:35 NUCL 78. What is radioactive in this room? C.H. Middlecamp 10:55 NUCL 79. Development of a nuclear forensics chemistry coursework. J.D. Auxier, M.T. Cook 11:15 Concluding Remarks.

THURSDAY AFTERNOON SECTION A Seaport Boston Hotel Flagship A

Computational Methods for Lanthanides and Actinides: Theory & Applications Cosponsored by COMP D. A. Penchoff, C. Peterson, Organizers, Presiding 1:00 Introductory Remarks. 1:05 NUCL 80. Role of electronic excitation and the effect of structural and composition changes in ion-irradiated La2Ti2-xZrxO7 pyrochlores. M. Sassi, S. Spurgeon, T. Kaspar, V. Shutthanandan 1:25 NUCL 81. Importance of the unprecedented δ back-donation in AnIV metallacycles. I.A. Popov, M.P. Kelley, E.R. Batista, P. Yang 1:45 NUCL 82. Relativistic ab initio accurate minimal basis sets for the heavy elements. G. Schoendorff 2:05 Intermission. 2:20 NUCL 83. Utilizing computational protocols for binding selectivity of lanthanide and actinide compounds. C.C. Peterson, D.A. Penchoff, H.L. Hall, R.J. Harrison 2:40 NUCL 84. Evaluating the performance of electronic structure methods on predictions of Raman and IR spectroscopy of UF6 and MoF6. J.R. Powers-Luhn, C.C. Peterson, J. Lux, J.D. Auxier, D. Penchoff, H.L. Hall 3:00 Intermission. 3:15 NUCL 85. Towards stability constant prediction in uranium siderophore complexes. J.L. Sonnenberg, M.E. Kirby, A. Simperler, S. Krevor, D.J. Weiss 3:35 NUCL 86. Dynamic solvation behavior of organic ligands within the ALSEP process. A.T. Ta, G.A. Hegde, S. Vyas 3:55 Concluding Remarks.

ORGN

Division of Organic Chemistry R. Broene and S. Silverman, Program Chairs

SUNDAY MORNING SECTION A Boston Convention & Exhibition Center Room 255

New Reactions & Methodology R. D. Broene, Organizer R. A. Altman, Presiding 8:20 ORGN 1. Low-cost and versatile trifluoromethylation reagents. F. Qing 8:40 ORGN 2. Towards catalytic deoxytrifluoromethylation. R.A. Altman

9:00 ORGN 3. Fluorination reactions with the combination of sulfuryl fluoride and tetramethylammonium fluoride. P.R. Melvin, S.D. Schimler, M.S. Sanford 9:20 ORGN 4. Development of a crystalline, shelf-stable reagent for the synthesis of fluorosulfates and sulfamoyl fluorides. C. Ende, H. Zhou, P. Mukherjee, R. Liu, E. Evrard, D. Wang, J.M. Humphrey, T. Butler, L. Hoth, J. Sperry, S. Sakata, C.J. Helal 9:40 ORGN 5. Lewis acid activation of sulfonyl fluorides to form sulfonamides. P. Mukherjee 10:00 ORGN 6. Concise synthesis of acylboronates by ozonolysis and their application to oligopeptide synthesis. J. Taguchi, T. Ikeda, R. Takahashi, I. Sasaki, J.W. Bode, H. Ito 10:20 ORGN 7. Suzuki–Miyaura cross-coupling reactions of geminal bis(boryl)cyclopropanes: A modular approach to the synthesis of gem-disubstituted cyclopropanes. M. Harris, H. Wisniewska, J. Wenhua, X. Wang, J. Bradow 10:40 ORGN 8. Transition-metal-free reductive coupling of allenylboronic acids and tosylhydrazones. D. Wang, M. de Wit, K. Szabo 11:00 ORGN 9. Phosphine-based reagent system for deoxofluorination. S.B. Munoz, H. Dang, V. Krishnamurti, S.G. Prakash 11:20 ORGN 10. Novel methods for reactivity umpolungs of nitrogen-containing compounds. M.D. Clift, L.M. Mori Quiroz, S.S. Londhe, C. Comadoll

SECTION B Boston Convention & Exhibition Center Room 256

Heterocycles & Aromatics R. D. Broene, Organizer A. M. Whittaker, Presiding 8:00 ORGN 11. Metal mediated synthesis of 2-substituted 2, 3-dihydrobenzofurans. A. Nath, M. Khan 8:20 ORGN 12. Pd(II)-Ce(IV) cooperative induction of intramolecular oxidative cyclization of α-propargylated 1,3-ketoesters: A rapid construction of 2,4-diacylfurans. S. Ruengsangtongkul, N. Chaisan, C. Thongsornkleeb, J. Tummatorn, S. Ruchirawat 8:40 ORGN 13. Diversity-oriented synthesis for the generation of N-substituted quaternary carbon containing small molecules from α,α-disubstituted propargyl amino esters. S. Kidd, N. Mateu-Sanchis, A. Madin, D.R. Spring 9:00 ORGN 14. Access to sulfides and sulfur heterocycles by oxidative C-S bond formation using MoV reagents. P. Franzmann, S.B. Beil, S.R. Waldvogel 9:20 ORGN 15. Functionalization of aromatic nitrogen heterocycles with cyclopropanols: The cyclopropanol Minisci reaction. A. Orellana, A. Nikolaev, M. Zhang 9:40 ORGN 16. Development of a robust copper-catalyzed cross coupling enabling the synthesis of verubecestat. E. Phillips 10:00 ORGN 17. Active molybdenum anode as alternative in reagent-mediated dehydrogenative coupling reactions. S.B. Beil, T. Mueller, P. Franzmann, S.R. Waldvogel 10:20 ORGN 18. Synthesis of substituted pyridones via 6π-electrocyclization of dienoyl isocyanates. X. Cheng, K. Zhu, A.P. Taylor 10:40 ORGN 19. Extended π-conjugated structures through dehydrative arene-arene coupling. C.A. Voll, T.M. Swager 11:00 ORGN 20. Systematic experimental investigation of BN acene isosteres. J.S. Ishibashi, S.Y. Liu 11:20 ORGN 21. Using the Diels-Alder reaction in the synthesis of biologically interesting molecules: Targets of opportunity. E. DeCicco, J.A. Cody 11:40 ORGN 22. Atom-economical method to prepare enantiopure benzodiazepines with N-carboxyanhydrides. A.M. Whittaker, P. Fier

SECTION C Boston Convention & Exhibition Center Room 254A

Photoredox Chemistry R. D. Broene, Organizer J. A. Kalow, Presiding 8:40 ORGN 23. Reductive amination and enantioselective amine synthesis by photoredox catalysis. X. Guo, O.S. Wenger 9:00 ORGN 24. Probing the regioselectivity in PausonKhand and oxidative 6Pi-electrocyclization/aromatization reactions, a possible intermediate detection using SABRE and PHIP. N.P. Yahaya 9:20 ORGN 25. Alkene oxyamination by net-oxidative photoredox catalysis. N. Reed, M. Herman, V. Miltchev, T.P. Yoon

203

TECHNICAL PROGRAM

10:00 NUCL 56. Ligand dynamics at the liquid-liquid interface in ALSEP process. A.T. Ta, G.A. Hegde, S. Vyas

TECHNICAL PROGRAM

ORGN 9:40 ORGN 26. Aliphatic C-H alkylation via photoredox catalysis. C. Morton, G. Choi, Q. Zhu, R.R. Knowles, E.J. Alexanian 10:00 Intermission. 10:10 ORGN 27. Photoinduced copper-catalyzed stereoselective 1,2-cis glycosylation reactions. H.M. Nguyen 10:30 ORGN 28. C-N cross-coupling via photoexcitation of nickel-amine complexes. C. Lim, M. Kudisch, B. Liu, G. Miyake 10:50 ORGN 29. Copper templated [2+2] cycloadditions of unactivated olefins utilizing weakly coordinating anions. C.S. Gravatt, T.P. Yoon 11:10 ORGN 30. Photochemical methods for the synthesis of π-conjugated polymers. J.A. Kalow

SECTION D Boston Convention & Exhibition Center Room 254B

Green Chemistry Innovations as a Useful Tool in the Pharmaceutical Industry I. Martinez, Organizer D. Entwistle, Organizer, Presiding 8:00 Introductory Remarks. 8:15 ORGN 31. C—H oxidation via base-metal catalysis. M. White 8:55 ORGN 32. Application of transition metal catalysis to a borylation step for the synthesis of crisaborole. J. Magano 9:25 ORGN 33. PEPSI is red, white and blue, but PEPPSI is green. M.G. Organ 10:05 Intermission. 10:15 ORGN 34. Application of green chemistry strategies and philosophies in medicinal chemistry. M.C. Bryan 10:45 ORGN 35. Engineering halogenases for sp2 and sp3 C-H halogenation. J.C. Lewis 11:25 ORGN 36. Engineering enzymes for more efficient and greener API syntheses. M. Borra-Garske

SECTION E Boston Convention & Exhibition Center Room 253C

Young Investigator Symposium J. Aube, Organizer, Presiding 8:00 ORGN 37. Boron- and copper-based TADF emitters: Synthesis, photochemical characterization and OLED device performance. D.S. Laitar, T.P. Clark, D.D. Devore, T.S. De Vries, J. Jeon, K. Kearns, S. Mukhopadhyay, H. Na, A. Rachford 8:30 ORGN 38. Discovery of GDC-0077: A highly selective inhibitor of PI3K-alpha that induces degradation of mutant-p110 alpha protein. M. Braun 9:00 ORGN 39. Preparation and optimization of macrocyclic peptide-like inhibitors for intravenous applications. R. Lira 9:30 ORGN 40. Expedient synthesis of chiral tryptamines via a regioselective indole alkylation. C.K. Chung 10:00 ORGN 41. Innovative chemistry enabling drug discovery: Leveraging new frontiers in organic synthesis to improve success rate. T.J. Greshock 10:30 ORGN 42. Design and synthesis of high carbon content polymers via catalytic oxidative cross-coupling reactions for application in advanced manufacture. S. Liu 11:00 ORGN 43. Flow chemistry: Impact on early process development. B. Cardinal-David 11:30 ORGN 44. Commercial route development of a SMO inhibitor. A.L. Puchlopek-Dermenci

Moving the Safety Values of the ACS Forward Sponsored by PRES, Cosponsored by AGFD, ANYL, BIOL, BMGT, CA, CARB, CCS, CHAS‡, CINF, COLL, CPT, ENFL, ENVR, I&EC, ORGN, PROF and SCHB

Reporting & Reproducibility of Chemistry Research Data Sponsored by CINF, Cosponsored by ETHX and ORGN

SUNDAY AFTERNOON SECTION A Boston Convention & Exhibition Center Room 255

New Reactions & Methodology R. D. Broene, Organizer J. J. Chruma, Presiding 1:10 ORGN 45. Diversity-oriented synthesis of heterocycles: Al(OTf)3- promoted cascade cyclization and ionic hydrogenation. T. Liu, W. Jia, Q. Xi, Y. Chen, X. Wang, D. Yin

204

1:30 ORGN 46. Development of novel ruthenium catalyzed cycloaddition reactions via hydrogen transfer and the synthetic application for polycyclic aromatic hydrocarbons. H. Sato, M.J. Krische 1:50 ORGN 47. Pd/C-catalyzed aromatization of alicyclic substrates in water. N. Yasukawa, H. Yokoyama, M. Masuda, Y. Monguchi, H. Sajiki, Y. Sawama 2:10 ORGN 48. Anion exchange resin supported – palladium catalyst for chemoselective hydrogenation and Suzuki-Miyaura reaction using aryl chlorides. T. Ichikawa, M. Netsu, M. Mizuno, Y. Sawama, Y. Monguchi, H. Sajiki 2:30 ORGN 49. Chiral lanthanide triflates enable enantiodivergent asymmetric transformations. A. Richardson, P.S. Riehl, T. Sakamoto, J. Ludwig, C. Schindler 2:50 ORGN 50. New catalysts for carbonyl-olefin metathesis. A.J. Davis, C. Schindler 3:10 ORGN 51. C-N bond formation: Oxidation and metal-mediated transfer of carbamate-derived nitrenes for the intramolecular aziridination of alkenes. M.R. Lasky, E.C. McLaughlin 3:30 ORGN 52. Palladium-catalyzed dearomative syn1,4-aminofunctionalizations. M. Okumura, W.C. Wertjes, A.S. Shved, D. Sarlah 3:50 ORGN 53. Functionalization of 2-azaallyl radicals for aryl and alkyl methylamine synthesis. M. Li, P.J. Walsh 4:10 ORGN 54. Intramolecular cyclization of 3,3-diarylpropenylamides of electron-deficient alkenes: Stereoselective synthesis of functionalized hexahydrobenzo[f] isoindoles. S. Yamazaki, H. Sugiura, A. Ogawa 4:30 ORGN 55. 2-azaallyl anions as super-electron-donors: Transition-metal-free coupling with aryl and alkyl halides via radical intermediates. Q. Wang, M. Poznik, M. Li, P.J. Walsh, J.J. Chruma

SECTION B Boston Convention & Exhibition Center Room 256

Heterocycles & Aromatics R. D. Broene, Organizer G. D. Cuny, Presiding 1:10 ORGN 56. Iodocyclization of 2-(1-alkynyl)benzamides: Synthesis of cyclic imidates and isoindolinones. S. Mehta, D. Brahmchari, M.R. Mangyan 1:30 ORGN 57. Polythiophene-S,S-dioxide and other “impossible” oxygenated heterocycles. S. Rozen, C. Aharon 1:50 ORGN 58. Synthesis inspires design: The importance of synthetic innovations in drug discovery and development. A. Sather 2:10 ORGN 59. Intermolecular aryne ene reaction of Hantzsch esters: Stable covalent ene adducts from a 1,4-dihydropyridine reaction. W. Sun 2:30 ORGN 60. Towards the development of highly conjugated BDx systems for organic electronics. A.E. Brown, M. Jeffries-El 2:50 ORGN 61. Development of a new methodology for synthesis of 1,4-thiazepines. M. Zora, Y. Kelgokmen 3:10 ORGN 62. Synthesis of diverse semi-saturated bicyclic heteroaromatics. H. Stewart, T. Moss, D.R. Spring 3:30 ORGN 63. Synthetic enablement of lactam templates to drive SAR for an EP3 antagonist program. D. Canterbury 3:50 ORGN 64. BOIMPYs and oligomerized BODIPYs: Intramolecular J-aggregates and superfluorophores. D. Werz 4:10 ORGN 65. Investigation of the properties of selected lignans and lignins. S. Rendon, R. Leino 4:30 ORGN 66. Novel, facile synthetic route to N,N,O,Cboron chelated dipyrromethenes. R.G. Clarke, M. Hall 4:50 ORGN 67. Synthesis of 5,5-disubstituted oxazolidine2,4-diones utilizing an oxidative cyclization reaction. A. Duddupudi, H. Vo, G.D. Cuny

2:35 ORGN 71. Alkylation of heterocycles through the reductive decarboxylation of in situ generated N-acyloxy pyridinium salts. E.J. McClain, C. Stephenson, A. Sun 3:00 Intermission. 3:10 ORGN 72. Generation and capture of α–carbamyl radicals using organic photoredox catalysis. J.B. McManus, N.P. Onuska, D.A. Nicewicz 3:35 ORGN 73. Dual Lewis acid/photoredox-catalyzed addition of ketyl radicals to vinylogous carbonates in the synthesis of 2,6-dioxabicyclo[3.3.0]octan-3-ones. J. Cannon 4:00 ORGN 74. Strongly reducing, visible-light organic photoredox catalysts as sustainable alternatives to precious metals. C. Lim, Y. Du, R.M. Pearson, S.M. Sartor, M.D. Ryan, H. Yang, N.H. Damrauer, G. Miyake 4:25 ORGN 75. Sulfamate esters guide selective alkylation at traditionally non-reactive γ-C(sp3)–H bonds. A. Gant Kanegusuku, T. Castanheiro, J.L. Roizen

SECTION D Boston Convention & Exhibition Center Room 254B

Green Chemistry Innovations as a Useful Tool in the Pharmaceutical Industry D. Entwistle, I. Martinez, Organizers J. C. Colberg, Presiding 1:20 Introductory Remarks. 1:35 ORGN 76. Insights into iron- and cobalt-catalyzed cross coupling. P.J. Chirik 2:15 ORGN 77. Iron-based catalysts for cross coupling reactions. J.A. Byers, M.P. Crockett, C.C. Tyrol, A.S. Wong 2:55 Intermission. 3:05 ORGN 78. Exploration of new reaction tools for rapid synthesis and late-stage functionalization of pharmaceutical interests. C. Li 3:45 ORGN 79. Better together: Improved cross-electrophile coupling reactions from industry collaboration. D.J. Weix 4:25 ORGN 80. Green chemistry innovations as a useful tool in the pharmaceutical industry discussion panel: Filling the gap between academia & pharma. J.C. Colberg

SECTION E Boston Convention & Exhibition Center Room 253C

Young Investigator Symposium J. Aube, Organizer A. K. Franz, Presiding 1:00 ORGN 81. Integration of discovery and process development to deliver a high complexity BACE inhibitor. S.M. Mennen 1:30 ORGN 82. Discovering innovative and impactful chemistry through external collaborations. M. Luzung 2:00 ORGN 83. Synthesis and bioactivity of carbohydratebased macrocyclic picolinamide fungicides. K. Bravo, F. Li, R. Heemstra, K.G. Meyer, P. Graupner, C. Yao 2:30 ORGN 84. Herbicidal 2-aryl-1,2,3-triazoles. M.J. Campbell 3:00 ORGN 85. Vignettes in process chemistry spanning enabling discovery chemistry to manufacturing route development. J. McCabe Dunn 3:30 ORGN 86. Discovery of a novel class of TRPV4 antagonists and optimization with respect to LLE, oral PK properties and off-target activity. J.E. Pero 4:00 ORGN 87. Design, development and scale-up of a hom*ogeneous Chan-Lam coupling. A.C. Brewer 4:30 ORGN 88. Speed to clinic: The critical role of organic synthesis in medicinal chemistry. A.C. Smith

SECTION F Boston Convention & Exhibition Center Room 253 A/B

SECTION C

JOC-OL Lectureship

Boston Convention & Exhibition Center Room 254A

T. Hanna, Organizer S. J. Miller, A. B. Smith, Presiding 1:20 Introductory Remarks. 1:25 ORGN 89. Iterative design of a biomimetic catalyst for peptide synthesis. H. Handoko, S. Sakilam, P. Arora 1:55 ORGN 90. Single-molecule imaging in organic and organometallic systems. S. Blum 2:25 ORGN 91. Biomimetic natural product synthesis. A. Lawrence 2:55 ORGN 92. Unconventional building blocks for functional polymeric materials. R.S. Klausen 3:25 Organic Letters Award Presentation. 3:30 ORGN 93. Expanding the scope of photocatalytic synthesis. T.P. Yoon 4:15 Journal of Organic Chemistry Award Presentation.

Photoredox Chemistry R. D. Broene, Organizer J. Cannon, Presiding 1:20 ORGN 68. Ultrafast C-H bond activation by an artificial photoenzyme via PCET. A. Das, I. Mandal, R. Venkatramani, J. Dasgupta 1:45 ORGN 69. Visible light-mediated preparation of 1-aminonorbornanes: Efficient access to an unexplored, saturated carbocycle. T.M. Sodano, D. Staveness, C. Stephenson 2:10 ORGN 70. Photocatalytic alkylation of aliphatic iminium ions for the synthesis of tertiary alkylamines. D. Reich, A.D. Trowbridge, M. Gaunt

Moving the Safety Values of the ACS Forward Sponsored by PRES, Cosponsored by AGFD, ANYL, BIOL, BMGT, CA, CARB, CCS, CHAS‡, CINF, COLL, CPT, ENFL, ENVR, I&EC, ORGN, PROF and SCHB

Structures & Functions of Glycans Sponsored by CARB, Cosponsored by ANYL, BIOL, CELL, MEDI and ORGN

Reporting & Reproducibility of Chemistry Research Data Sponsored by CINF, Cosponsored by ETHX and ORGN

SUNDAY EVENING SECTION A Boston Convention & Exhibition Center Exhibit Hall B2/C

Asymmetric Reactions & Syntheses S. M. Silverman, Organizer 5:30 – 7:30 ORGN 95. Re-examination of the enantioselectivity in asymmetric organocatalysed cycloadditions of anthrone. J.L. Spencer-Briggs, S. Jones ORGN 96. Kinetic resolution of racemic 2H-azirine via an asymmetric imine amidation. H. Hu, X. Liu, X. Feng ORGN 97. Asymmetric catalytic insertion of α-diazo carbonyl compounds into O–H bonds of carboxylic acids. F. Tan, X. Liu, X. Feng ORGN 98. Synthesis of novel gold catalysts with bulky substituents. R. Ma, B. Gung ORGN 99. Werner-type complexes as chirality and prochirality sensing agents for a variety of functional groups. Q.H. Luu, J.A. Gladysz ORGN 100. Enantioselective Suzuki-Miyaura cross coupling of alkyl halides and unactivated boronic esters. C.C. Tyrol, M.P. Crockett, J.A. Byers ORGN 101. Ru(II)-pheox catalyzed asymmetric B—H bond insertion reaction of diazoesters with amine-borane and phosphine-borane complexes. N. Otog, S. Chanthamath, K. Shibatomi, S. Iwasa ORGN 102. Highly regio- and enantioselective γ-addition of allylazaarenes to enals. M. Meazza, R. Rios-Torres ORGN 103. Convergent oligosaccharide synthesis. A. Aljahdali, G.A. O’Doherty ORGN 104. Site- and enantioselective C–H oxygenation catalyzed by a chiral manganese porphyrin complex with a remote binding site. F. Burg, T. Bach ORGN 105. Asymmetric aza-Prins reaction: Application to the total synthesis of dendrobate alkaloid (+)-epi-241D, (-)-solenopsin A, (+)-epi-dihydropinidine and swainsonine. R. Mittapalli ORGN 106. Proline derived ligands for the titaniumcatalyzed enantioselective synthesis of propargyl alcohols in presence of diethylzinc. T. Hapatsha, S. Cartelli ORGN 107. Enantioselective nickel-catalyzed reductive dicarbofunctionalization of olefins. D. Anthony, T. Diao ORGN 108. Asymmetric phase-transfer catalyzed reaction of prenylated gramine salt: Synthesis of tryprostatin B. M.M. Rahaman, M. Huisman, M. Hossain ORGN 109. Anion binding catalyst selectivity. J. Attard, K. Osawa, Y. Guan, A.E. Mattson ORGN 110. Enantioselective synthesis of spirocycles through a chiral phosphoric acid catalyzed desymmetrization. E. Minerali, A. Kelley, K.J. Stingley, J. Wilent, N. Chambers, G. Wilson, K.S. Petersen

SECTION A Boston Convention & Exhibition Center Exhibit Hall B2/C

CH Activation S. M. Silverman, Organizer 5:30 – 7:30 ORGN 111. Ligand-controlled regiodivergent C−H alkenylation of pyrazoles. H. Kim, J. Jang, J. Joo ORGN 112. Divergent C-H functionalization of nitropyrazoles with terminal alkynes through alkynylation and hydroarylation. C. Shin, J. Jang, J. Joo ORGN 113. Rh(III)-catalyzed C-H activation by allyl-to-allyl 1,4-migration. R. Di Sanza, S.E. Korkis, H.W. Lam ORGN 114. Palladium nanoparticles catalyzed C-C, C-N and C-O bond formation Via C-H activation. R. Saha, G. Sekar

ORGN 115. Mechanistic exploration of the regioselective activation of the sp3 C-H bond in toluene and other alkyl arenes. .A. Amadeo, C.E. Hendrick, P. Nahide, G. Hong, K.F. VanGelder, U. Kumar, M. Kozlowski ORGN 116. Cp*RhIII-catalyzed chelation assisted directed amidation of aldehydes using anthranils. S. Debbarma ORGN 117. Rh(III)-catalyzed C–H bond additions to nitroalkenes and application to the total synthesis of (+)-pancratistatin. T. Potter, D.N. Kamber, B.Q. Mercado, J.A. Ellman ORGN 118. Pd(OAc)2 catalyzed ortho directed C-H activation of aryloxycarbamates. N. Truchan, T. Bach ORGN 119. Transient ligand enabled ortho-arylation of fivemembered heterocyclic carbonyl compounds: Facile build-up of mechanochromic materials. B. Li, H. Ge ORGN 120. Palladium(II)-catalyzed H/D exchange reactions of alicyclic amines. E.Y. Aguilera, M.S. Sanford ORGN 121. Tunable silver-catalyzed nitrene transfer. M. Huang ORGN 122. C-H amination via N-O activation. L.E. Seveney, A.A. Oppong, B.L. DeBoef ORGN 123. Achieving regio- and enantioselective Pdcatalyzed C-H functionalization through new ligand design. P. Shen, J. Yu ORGN 124. Investigating naphtho[1,2-b:5,6-b’]difuran (NDF) as an electron rich co-monomer in donor-acceptor conjugated polymer systems utilizing C-H activation polymerization. E. Muller, M. Jeffries-El ORGN 125. Improved methods for ortho selective iridium catalyzed C-H borylations of anilines. J.R. Montero, S. Lee, B. Ghaffari, M.R. Smith, R.E. Maleczka ORGN 126. Hydrazone derived iridium catalysts for regioselective C–H borylations between sterically similar sites. J.E. Dannatt, S.L. Miller, B. Ghaffari, M.R. Smith, R.E. Maleczka

SECTION A Boston Convention & Exhibition Center Exhibit Hall B2/C

Metal-Mediated Reactions & Syntheses S. M. Silverman, Organizer 5:30 – 7:30 ORGN 127. Nickel-catalyzed decarboxylative Csp3-Csp2 reductive couplings under electrochemical conditions in batch and continuous flow. H. Li, C. Breen, H. Seo, T.F. Jamison, Y. Fang, M.M. Bio ORGN 128. Ruthenium catalysed decarboxylative synthesis of alkyl arenes. K. Suppan ORGN 129. Novel method development for the synthesis of oxazoline and thiazoline. H. Jeon, D. Kim, W. Lee, K. Hong, J. Lee ORGN 130. MoV reagents as powerful tools for oxidative coupling reactions. P. Franzmann, S.B. Beil, S.R. Waldvogel ORGN 131. Ligand-controlled copper-catalyzed regioselective hydroborylation and borylstannylation of allensulfonamides. H. Lee, J. Park ORGN 132. Comparative study of solid state and solution aldol reaction of lithium enolate of pinacolone. H. Pang, P.G. Williard ORGN 133. One-pot palladium-catalyzed synthesis of sulfonyl fluorides from aryl bromides. A. Davies, J. Curto, S.W. Bagley, M.C. Willis ORGN 134. Process development of a Buchwald-Hartwig amination. Y. Lu, T.D. White, J.R. Martinelli ORGN 135. Aryl group introduction on Monocarbacloso-dodecaborate for unique functions and properties. R. Takita, G. Akimoto, M. Otsuka, Y. Kitazawa, J. Kanazawa, M. Uchiyama ORGN 136. Development of a new environmentally benign deprotection method using Pd/C-Al-H2O. N. Zorigt, C. Schaefer, A. Kokel, H. Cho, B. Torok ORGN 137. Bidentate N-heterocyclic carbene nickel(II) catalysts for acrylate synthesis from ethylene and CO2. J. Kim, H. Hahm, J. Ryu, J. Lee, S. Hong ORGN 138. Imidazo[1,5-a]pyridin-3-ylidene ruthenium catalysts for olefin metathesis. S. Byun, S. Park, J. Ryu, J. Lee, S. Hong ORGN 139. Bifunctional N-heterocyclic carbene ligands for Cu-catalyzed direct C-H carboxylation with CO2. D. Park, J. Ryu, J. Lee, S. Hong ORGN 140. Synthesis and applications of noncovalent organic frameworks. T. Lieu, O. Miljanic, O. Daugulis ORGN 141. Rhodium-catalyzed tandem addition– cyclization–rearrangement of alkynylhydrazones with organoboronic acids. K. Choi, H. Park, C. Lee

ORGN 142. High-throughput profiling of common salen/an transition metal catalysts in oxidative phenol hom*ocoupling: Insights into reactivity and mechanism. A. Jemison, C. Ochoa, M. Kozlowski ORGN 143. N-pyridyl urea derivatives as a ligand for copper-catalyzed aryl coupling reactions. F. Damkaci, O. Alotaibi, J. McGrath, G. Kerr, F. Papa ORGN 144. Mn-Terpyridine catalyzed dehydrogenative acceptorless coupling of amines and alcohols to give aldimine. G. Barrera, B. Calalpa ORGN 145. Development of nickel-catalyzed asymmetric reductive cross-couplings. J. Hofstra ORGN 146. Metal-mediated catalysts for bioorthogonal therapeutics. R. Huang, R. Cao-Milán, V.M. Rotello ORGN 147. Modification of Mori-Tamaru reaction for phosphonodiene substrates. R.R. Paudel, J.N. Ridenour, C.D. Spilling ORGN 148. De novo synthesis of phostones and phosphono sugars. G.R. Gnawali, C.D. Spilling ORGN 149. Lithium hexamethyldisilazide-mediated enolization of highly substituted aryl ketones: Structural and mechanistic basis of the E/Z selectivities. K. Mack, A. McClory, H. Zhang, F. Gosselin, D.B. Collum

SECTION A Boston Convention & Exhibition Center Exhibit Hall B2/C

Peptides, Proteins & Amino Acids S. M. Silverman, Organizer 5:30 – 7:30 ORGN 150. Total synthesis of the piperazic acid (Piz) containing natural product L-156,373. Y.M. Elbatrawi, C. Kang, J.R. Del Valle ORGN 151. Conformational analysis of peptides having 1-aminocyclopentanecarboxylic acids with stapled side chain and their applications to organocatalysts. A. Ueda, M. Higuchi, S. Matsumoto, M. Doi, M. Tanaka ORGN 152. Aggregation mechanism analysis of amyloid β fragment utilizing alkene-type peptide bond isosteres. Y. Kodama, T. Imai, K. Sato, N. Mase, T. Narumi ORGN 153. Harnessing the reactivity of the MeDbz linker to access C-terminally modified peptides. C.A. Arbour, R.E. Stamatin, J.L. Stockdill ORGN 154. Facile conversion of peptide hydrazide to peptide thioester without decomposition of N-terminal Thz moiety. K. Sato, S. Tanaka, Y. Tashiro, T. Narumi, N. Mase ORGN 155. Foldable prolinomycin-based scaffold: From structure to function. W. Wang ORGN 156. Total synthesis of plusbacin A3. A. Katsuyama, F. Yakushiji, S. Ichikawa ORGN 157. Using mercaptoproline-stapling to improve the biological activity, selectivity, and cell permeability of constrained peptides. J.R. Pace, J. Kritzer ORGN 158. Synthesis and reactivity of cysteinyl perfluoroaryl and heteroaryl thioethers. T. Bednar, J. Gavenonis ORGN 159. Design and synthesis of collagen mimetic peptides incorporating δ-azaproline residues. Y.M. Elbatrawi, J.R. Del Valle ORGN 160. RiPP leader peptide cleavage by a lanthipeptide protease. S.C. Bobeica, S. Dong, L. Huo, S.K. Nair, W.A. van der Donk ORGN 161. Synthesis of collagen mimetic incorporated β-amino acid. A. Shimoda, M. Ito, H. Uemura, T. Sugiyama, A. Kittaka, Y. Suhara ORGN 162. Developing phosphotyrosine-mimicking peptides for the inhibition of the STAT3 SH2 domain. R.A. Cerulli, J. Kritzer ORGN 163. Chloroalkane penetration assay (CAPA) to monitor the cellular penetration of biomolecules. K. Deprey, L. Peraro, J. Kritzer ORGN 164. Structural validation of predicted cyclic hexapeptides in aqueous solution. A. Cummings, S. McHugh, D. Slough, Y. Lin, J. Kritzer ORGN 165. Using CAPA to screen bioactive peptide libraries. K. Mientkiewicz, L. Peraro, J. Kritzer

SECTION A Boston Convention & Exhibition Center Exhibit Hall B2/C

Photoredox Chemistry S. M. Silverman, Organizer 5:30 – 7:30 ORGN 166. Tuning reactivity of europium(II)-containing visible-light photocatalysts. R. Barraza, M.J. Allen ORGN 167. Photoredox generated carbonyl ylides: Scope, mechanism, and application. E. Alfonzo, A.B. Beeler

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TECHNICAL PROGRAM

4:20 ORGN 94. Total synthesis and biological evaluation of peptide natural products. M. Inoue

TECHNICAL PROGRAM

ORGN ORGN 168. Photocatalytic and redox properties of a novel macrocyclic nickel complex. M. Grübel, I. Bosque, C. Hess, T. Bach ORGN 169. Aromatic carboxylic acids as acyl radical prescursors for the photocatalyzed difunctionalization of olefins. G. Bergonzini, C. Cassani, F. Pettersson, C. Wallentin ORGN 170. Application and study of a new Ni-based photocatalyst. I. Bosque Martínez, M. Grübel, T. Bach, C. Hess ORGN 171. Visible-light-mediated carbon-sulfur bond formation through organic photoredox catalysis. G. Zhao, S. Kaur, E. Busch, T. Wang ORGN 172. Visible light activated highly diastereoselective glycosylation. F. Yu ORGN 173. Development of a photoreactor enabling screening of photoredox catalysis with temperature and light control: Experiments in batch and flow. R.S. Buzdygon, D. Drukker, J. Riccio, M. Bazin ORGN 174. Functionalization of nucleosides via photoredoxand nickel-mediated sp2–sp3 cross-coupling to enable rapid exploration of chemical space. A. El Marrouni, V.W. Shurtleff, J. Perkins, M. VanHeyst, M. Lu ORGN 175. Visible light photocatalytic methods for the [2 + 2] cycloaddition of dioxenone and oxazinone chromophores. A. Waters, L. Burke, E.C. McLaughlin

9:20 ORGN 190. Trifluoromethyl anion (CF3−): What we do and do not know. F. Wang, Z. Zhang, R.M. Haiges, M. Rahm, K.O. Christe, T. Mathew, S.G. Prakash 9:40 ORGN 191. Ligand coupling at phosphorus: Mechanism, selectivity and orbital symmetry. J. Alegre Requena, R. Paton 10:00 Intermission. 10:10 ORGN 192. Perspectives in computational study of reaction mechanisms: How predictive can we be? J.N. Harvey 10:30 ORGN 193. Statistical analysis of semiclassical dispersion corrections. T. Weymuth, J. Proppe, M. Reiher 10:50 ORGN 194. Bent bond and the antiperiplanar hypothesis: A novel approach in the comprehension of glycosides reactivity at the anomeric center. J. Parent, X. Bertrand, P. Deslongchamps 11:10 ORGN 195. Taming peroxides with stereoelectronic effects: Stereoelectronic control in the ozone-free synthesis of ozonides. G. Gomes, I. Alabugin 11:30 ORGN 196. Synthesis of a TEMPO radical containing polymer for a potential organic radical battery. E. Yücel, P. Öztürk, A. Akdağ

MONDAY MORNING

Biologically Related Molecules & Processes

SECTION A Boston Convention & Exhibition Center Room 255

New Reactions & Methodology R. D. Broene, Organizer J. D. Chisholm, Presiding 8:10 ORGN 176. Sequential photochemical transformations: Selective, efficient [4+4] and di-π-methane rearrangements. B.P. Derstine, S.M. Sieburth 8:30 ORGN 177. Stereoselective synthesis of 2-deoxyglycosides from glycals via visible-light-induced photoacid catalysis. G. Zhao, T. Wang 8:50 ORGN 178. Visible-light-driven alkene cyclopropanations with electrophilic radical carbenoids. A. Garcia Herraiz, M. Garcia Suero 9:10 ORGN 179. Visible light induced intermolecular [2+2] photocycloaddition of β-nitrostyrenes. L. Mohr, T. Bach 9:30 ORGN 180. Metal-free reductive coupling of aliphatic carbonyls with styrenes via photoredox catalysis in continuous flow. H. Seo, T.F. Jamison 9:50 ORGN 181. Biopharmaceutical analysis in flow: The development of a fast and robust methodology. T. Bihari, G. Sipos, A. Guttman, F. Darvas 10:10 ORGN 182. Addition of carbon nucleophiles to trichloroacetimidates to access 1,1’-diarylalkyl systems. J.D. Chisholm, N.S. Mahajani 10:30 ORGN 183. Alkylation of ketones with propargyl carboxylates promoted by trimethylsilyl trifluoromethanesulfonate. C.W. Downey 10:50 ORGN 184. Operationally-simple two-step procedure for the overall transamidation of 8-aminoquinoline amides proceeding via the intermediate N-acyl-Boc-carbamates. O. Verho, M. Pourghasemi-Lati, M. Oschmann 11:10 ORGN 185. Regioselective acid-catalyzed cyclization of cis-methindolylstyrenes affords tetrahydrobenzo[cd] indoles. X. Cai, T. Anagu, C. Ramirez, H. Harb, H.P. Hratchian, B.J. Stokes 11:30 ORGN 186. Regioselective nucleophilic substitution of the Baylis-Hillman adducts and synthesis of tri- and tetracyclic azepino-indole derivatives. Z. Shafiq, L. Liu

SECTION B Boston Convention & Exhibition Center Room 256

Physical Organic Chemistry: Calculations, Mechanisms, Photochemistry & High-Energy Species R. D. Broene, Organizer A. Grinberg Dana, Presiding 8:20 ORGN 187. Dynamics simulations of reactive intermediates: From cryogenic matrices to co-solvents. J. Mieres-Perez, P. Sokkar, J. Tatchen, E. Sanchez-Garcia 8:40 ORGN 188. Proton shuttles dictate the stability of anomalous carbocations: Case study of small and mediums sized carbocations using ab initio dynamics. S.S. Iyengar 9:00 ORGN 189. Sulfur reactivity and mesomerism in automated kinetic model generation. A. Grinberg Dana, R. Gillis, Y. Li, W.H. Green

206

SECTION C Boston Convention & Exhibition Center Room 254A R. D. Broene, Organizer D. Bandyopadhyay, Presiding 8:00 ORGN 197. Metabolic labeling with isoprenoid analogs yields insights into the enzymology of protein prenyltransferases. M.D. Distefano, K.F. Suazo, M. Ahmadi 8:20 ORGN 198. Probing galactonoamidine scaffolds toward potent glycosidase inhibition. S. Striegler 8:40 ORGN 199. Synthesis of polysulfides for understanding the biogenesis of H2S. L.I. Pilkington, B. Fedrizzi, D. Barker 9:00 ORGN 200. Very short and diverse synthesis of artificial marcocycles. A. Doemling, E. Abdelraheem, M. Rudrakshula, M. Khalesi, C. Neochoritis, P. Patil, S. Shaabani 9:20 ORGN 201. Design and synthesis of a natural productlike macrocycle library containing tetrahydropyran moieties. H. Lee, J. Hong 9:40 Intermission. 9:50 ORGN 202. Diversity-oriented synthesis of flavonoid derivatives from chalcone and γ-pyrone precursors. L.N. Aldrich 10:10 ORGN 203. Diversity-oriented synthesis and late stage functionalization: Exploiting complementary approaches in drug discovery. E. Lenci, G. Menchi, D. Dixon, A. Trabocchi 10:30 ORGN 204. Small molecule microarray profiling reveals FDA approved drugs that bind to structured nucleic acids. D. Calabrese, K. Zlotkowski, S. Alden, W.M. Hewitt, C. Connelly, R. Wilson, S. Gaikwad, L. Chen, R. Guha, C.J. Thomas, B. Mock, J. Schneekloth 10:50 ORGN 205. Chemistry of an amphibian disease: Fungal and bacterial small molecules involved in chytridiomycosis. T.P. Umile 11:10 ORGN 206. Harnessing chemical and biochemical technologies in pharmaceutical synthesis. K. Belecki 11:30 ORGN 207. Route development of synthetically challenging sulfonamide analogs of the MR modulator AZD9977. Z. Yuan, K.L. Granberg, J. Lindberg, G. Nikitidis, D. Liu, M. Malmgren, P. Cornwall, A. Hogner, A. Nordqvist, B. Lindmark, K. Edman, K. Bamberg, J. Hartleib

SECTION D Boston Convention & Exhibition Center Room 254B

M-CHEM: A Whole Lot of Shaking Going On Cosponsored by ORGN Financially supported by Form-Tech (Montreal, Canada) T. P. Hanusa, J. Mack, Organizers, Presiding T. Friscic, Presiding 7:40 ORGN 208. Mechanochemical synthesis of unsymmetrically-substituted porphyrins. T.D. Hamilton, J.V. Ruppel 8:00 ORGN 209. Simultaneous application of mechanochemical activation and enzymatic enantiodiscrimination in efficient kinetic resolution of β3-amino acids. M. Pérez-Venegas, G. Reyes-Rangel, A. Neri, J. Escalante, E. Juaristi 8:20 ORGN 210. Overcoming solubility problems and discovering chemical reactivity by mechanochemistry. J.G. Hernandez

8:40 ORGN 211. Enabling catalysis through mechanochemistry: From metal catalysis to metal recycling. L. Do, T. Friscic 9:00 ORGN 212. Mechanochemical synthesis of main compound and complexes. F. Garcia 9:20 ORGN 213. Mechanochemicum mysterium: Why ‘non-stoichiometric’ reactions in the solid state should be expected. R.F. Koby, N.R. Rightmire, T.P. Hanusa 9:40 Intermission. 9:50 ORGN 214. From one jar/one compound syntheses to high-throughput ‘parallel mechanochemistry’. E. Colacino, A. Porcheddu, F. Delogu, S. Bysouth, K. Martina, G. Cravotto 10:10 ORGN 215. Real-time in situ investigations of mechanochemical reactions. H. Kulla, I. Akhmetova, S. Haferkamp, F.L. Emmerling 10:30 ORGN 216. Temperature and frequency: Coarse and fine control of energy in lab-scale mechanochemistry. J.M. Andersen, J. Mack 10:50 ORGN 217. Mechanochemical and aging-based synthesis of metal nanoparticles and functionalization of biopolymers. A.H. Moores, T. Friscic, M. Rak, M. Malca, B. Fiss, T. Di Nardo 11:10 ORGN 218. Extrusion: An efficient technique for the manufacture of organic compounds and materials. D.E. Crawford 11:30 ORGN 219. Kinetic analysis of mechanochemical and mechanocatalytic processes. R.G. Blair 11:50 ORGN 220. Solvent-free mechanochemical synthesis – fundamentals, scale-up and commercialisation. S. James

SECTION E Boston Convention & Exhibition Center Room 253C

Role of Organic Chemistry in Early Clinical Drug Development A. F. Abdel-Magid, R. Vaidyanathan, Organizers J. A. Pesti, Organizer, Presiding 7:55 Introductory Remarks. 8:00 ORGN 221. From rational design to large-scale synthesis: Evolution of a pan-genotype HCV inhibitor bearing an oxaboryl heterocycle, part 1. A.J. Peat 8:35 ORGN 222. From rational design to large-scale synthesis: Evolution of a pan-genotype HCV inhibitor bearing an oxaboryl heterocycle, part 2. S. Xie 9:15 ORGN 223. Synthetic routes to Venetoclax at different stages: From discovery to early development to commercialization (part 1). M.D. Wendt 9:55 ORGN 224. Synthetic routes to Venetoclax at different stages: From discovery to early development to commercialization (part 2). Y. Ku 10:35 ORGN 225. Arming an anti-Staph. aureus THIOMAB antibiotic conjugate (TAC) with medicinal chemistry. T. Pillow 11:15 ORGN 226. Arming an anti-Staph. aureus THIOMAB antibiotic conjugate (TAC) with process chemistry. S.G. Koenig 11:55 Concluding Remarks.

SECTION F Boston Convention & Exhibition Center Room 253 A/B

Organometallics Distinguished Author Award P. J. Chirik, Organizer, Presiding 8:30 Introductory Remarks. 8:35 ORGN 227. Radical-relay strategies for selective C–H oxidation. S.S. Stahl 9:10 ORGN 228. Carbonyl-olefin metathesis and oxygen atom transfer. C. Schindler 9:45 Intermission. 10:00 ORGN 229. New tools for catalysis. T. Rovis 10:35 ORGN 230. Mechanism of nickel-catalyzed reactions. T. Diao

Structures & Functions of Glycans Sponsored by CARB, Cosponsored by ANYL, BIOL, CELL, MEDI and ORGN

Growing with Project SEED: 50 years and 10,000+ Students Sponsored by PRES, Cosponsored by AGFD, AGRO, ANYL, BIOL, BMGT, CARB, CINF, COLL, ENFL, ENVR, HIST, I&EC, ORGN, PROF and SCHB

Publishing Chemical Data Sponsored by CINF, Cosponsored by ETHX and ORGN

M-CHEM: A Whole Lot of Shaking Going On Cosponsored by ORGN

SECTION A Boston Convention & Exhibition Center Room 255

New Reactions & Methodology R. D. Broene, Organizer T. G. Minehan, Presiding 1:20 ORGN 231. Unprecedented Claisen rearrangement reaction under normal physiological conditions. B. Zhu 1:40 ORGN 232. Ring expansion, ring contraction, and annulation reactions of allylic phosphonates under oxidative cleavage/basic conditions: Application to the total synthesis of naturally occuring sequiterpenes. T.G. Minehan 2:00 ORGN 233. 4-π photocyclisation: A new route to functionalized 1,2-diazetidines. T. Britten, P. Kemmitt, S. Coote 2:20 ORGN 234. Exploring the Wagner-Jauregg reaction. S.S. Tartakoff 2:40 ORGN 235. Harnessing the reactivity of strained allene intermediates. J. Barber, N.K. Garg 3:00 ORGN 236. Simplifying terpenoid synthesis: Development and application of the reductive Cope rearrangement. P. Vertesaljai, A.J. Grenning 3:20 ORGN 237. Donor-acceptor cyclopropanes: Springloaded units to access carbo- and heterocyclic compounds. D. Werz 3:40 ORGN 238. Convergent Diels-Alder strategy for the synthesis of highly substituted pyridines. S.G. Bartko, P.J. Hamzik, R.L. Danheiser, L. Espindola 4:00 ORGN 239. Efficient use of lower ester compounds: Catalytic transesterification and cycloaddition. D. Nakatake, Y. Matsumoto, R. Yazaki, T. Ohshima

SECTION B Boston Convention & Exhibition Center Room 256

Physical Organic Chemistry: Calculations, Mechanisms, Photochemistry & High-Energy Species R. D. Broene, Organizer M. Hall, Presiding 1:30 ORGN 240. Non-statistical dynamics and aromaticity as the reaction driving force on the mechanism of the Zimmerman Di-π-methane rearrangement. R.A. Matute 1:50 ORGN 241. Reaction of carbenes with Lewis acids: Isolation and spectroscopic characterization of antiaromatic molecules. P. Costa, I. Trosien, J. Mieres-Perez, W.W. Sander 2:10 ORGN 242. Towards the computational design of highly fluorescent rhodopsins. A. Valentini, M. Marin, Y. Orozco, M. Riccardi, M. Olivucci 2:30 ORGN 243. Rational design of near-infrared absorbing D-π-A organic dye molecules. A. Narsaria, J. Poater, A. Ehlers, C. Guerra, K. Lammertsma, F. Bickelhaupt 2:50 ORGN 244. Synthesis and circularly polarized luminescence of chiral boron-chelated dipyrromethene fluorophores. M. Hall 3:10 Intermission. 3:20 ORGN 245. Role of the rich athermal ground-state chemistry in the photochemistry of the thioformaldehyde S-oxide sulfine. B. Mignolet, B. Curchod, T.J. Martinez 3:40 ORGN 246. Photochemistry of polyazido-aromatic compounds. J.T. Bingham, B.D. Etz, S. Vyas 4:00 ORGN 247. Optimizing 1,3-dipolar cycloadditions of diazoacetamides for chemical ligation. B. Gold, M.R. Aronoff, E.G. Burke, T.T. Hoang, J.M. Schomaker, R.T. Raines 4:20 ORGN 248. Halogen bonding in single electron transfer. R. Baxter

SECTION C Boston Convention & Exhibition Center Room 254A

Biologically Related Molecules & Processes R. D. Broene, Organizer A. W. Jensen, Presiding 1:10 ORGN 249. Ene reactions catalyzed by enzymes. A.W. Jensen 1:30 ORGN 250. Modulating the activity of trimethylamine lyase CutC/D, a gut microbial enzyme. A. Duzan 1:50 ORGN 251. Alkynyl bisubstrate inhibitors of nicotinamide N-methyltransferase (NNMT). R. Policarpo, L. Decultot, B.A. Wright, D. Huang, V. Chu, M. Shair 2:10 ORGN 252. Biocatalytic synthesis of unsymmetrical diketopiperazine dimers via enzymatic C-H functionalization. V.V. Shende, Y. Khatri, P. Lindovska, S. Newmister, R. Hohlman, F. Yu, T. Doyon, M. Movassaghi, D.H. Sherman

2:30 ORGN 253. Concise synthesis of branched fluorous tags for increased fluorous phase solubility. M.A. Miller, E.M. Sletten 2:50 ORGN 254. Flavylium heptamethine fluorophores for shortwave infrared imaging. E.M. Sletten 3:10 ORGN 255. Water soluble pillar[5]arenes as a potential 129Xe MRI probe. P.I. Fernando, B.L. DeBoef 3:30 ORGN 256. Large Stokes shift fluorescent dyes based on 9-amino- and 9-phosphonylpyronin scaffolds and their use in bioimaging applications. A.N. Butkevich, M.V. Sednev, G. Lukinavicius, H. Shojaei, E. d’Este, V.N. Belov, S.W. Hell 3:50 ORGN 257. Towards brighter bioluminescence: Synthesis and properties of rigid infra-luciferins. A. Syed, J. Anderson 4:10 ORGN 258. Engineering aminohexose-cytosine antibiotics as selective ribosomal P-site Inhibitors. R. Looper, H. Kanna Reddy, C. Serano, D. Eiler, P.R. Sebahar, C.A. Testa, T. Haussener, B. Tresco 4:30 ORGN 259. Rapid construction of complex cylcobutane compounds. T.P. Yoon 4:50 ORGN 260. Chemical probes put tyrosine phosphatase activity in the spotlight. A.M. Barrios

4:25 ORGN 278. Discovery and development of omecamtiv mecarbil - a novel cardiac myosin activator for the potential treatment of systolic heart failure (part 2). S. Walker, B.P. Morgan 5:00 Concluding Remarks.

SECTION F Boston Convention & Exhibition Center Room 253 A/B

Tetrahedron Prize

Boston Convention & Exhibition Center Room 254B

Cosponsored by BIOL, CARB and MEDI Financially supported by Elsevier S. F. Martin, Organizer, Presiding 1:00 Introductory Remarks. 1:05 ORGN 279. Deciphering the human gut microbiota with chemistry. E.P. Balskus 1:55 ORGN 280. Synthesis of polymers with designed structures. R.H. Grubbs 2:45 ORGN 281. Conservation of coactivator engagement mechanism enables small-molecule allosteric modulator discovery. A.K. Mapp 3:35 Presentation of Tetrahedron Prize to Awardee. 3:45 ORGN 282. Carbohydrates as microbial IDs. L.L. Kiessling 4:45 Concluding Remarks.

Flow Chemistry & Continuous Processes

Structures & Functions of Glycans

R. D. Broene, Organizer S. M. Torres, Presiding 1:00 ORGN 261. Single-droplet flow chemistry platform for high-throughput studies of rhodium-catalyzed hydroformylation reactions. C. Zhu, C.W. Coley, K. Raghuvanshi, M. Abolhasani 1:20 ORGN 262. Multi-step continuous flow synthesis of diazepam. V. Vu, K. Rucker, D. Stout, J. Lim, J.P. Malerich, N. Collins 1:40 ORGN 263. Synthesis of 4-bromide-3-methyl anisole with a continuous flow reaction system. K. Wang, P. Xie, L. Zhang, J. Deng, G. Luo 2:00 ORGN 264. In-line sampling and analysis for flow continuous chemical manufacturing. M.G. Organ 2:20 ORGN 265. Utilization of reaction monitoring to enable continuous flow iodination of an unstable ArLi species. A.L. Dunn, D. Leitch, M. Journet, P. Liu 2:40 ORGN 266. Recycling strategies in continuous flow. S. Newman 3:00 ORGN 267. Flow synthesis of dolutegravir: Translating batch processes into flow. R. Ziegler, B. Desai, J. Jee, T. Roper, T.F. Jamison 3:20 ORGN 268. Tunable asymmetric photochemical induction using circularly polarized light – batch vs. flow. A.C. Evans, C. Sanchez, S. Hoffman, N. Jones, L. Nahon 3:40 ORGN 269. Formal [3+2] for the formation of aminonorbornane via photo-excitation of a redox auxiliary. J.L. Collins, R. Mcatee, D. Staveness, C. Stephenson 4:00 ORGN 270. UV-light mediated borocyclopropanation of styrenes using continuous flow technology. M. Sayes, G. Benoit, A.B. Charette 4:20 ORGN 271. Continous flow preparation of nonstabilized diazoalkanes and application to the synthesis of polysubstituted cyclopropane derivatives. P. Rullière, G. Benoit, E.M. Allouche, A.B. Charette 4:40 ORGN 272. Synthesis and in-line processing of peroxide using flow chemistry. S.M. Torres, L. Cummings, J. Daye, J.T. Haliburton, Z.S. Peaco*ck, T. Robison

Sponsored by CARB, Cosponsored by ANYL, BIOL, CELL, MEDI and ORGN

SECTION D

SECTION E Boston Convention & Exhibition Center Room 253C

Role of Organic Chemistry in Early Clinical Drug Development A. F. Abdel-Magid, J. A. Pesti, Organizers R. Vaidyanathan, Organizer, Presiding 1:00 Introductory Remarks. 1:05 ORGN 273. Discovery of small molecule inhibitors of PCSK9. Part 1: Medicinal chemistry progression. D.W. Piotrowski 1:45 ORGN 274. Discovery of small molecule inhibitors of PCSK9. Part 2: Process development. E. McInturff 2:25 ORGN 275. Discovery of BAF312, a S1P receptor 1 and 5 modulator. S. Pan 3:05 ORGN 276. Development of BAF312 drug substance manufacturing process and analytical control strategy. C. Koecher 3:45 ORGN 277. Discovery and development of omecamtiv mecarbil - a novel cardiac myosin activator for the potential treatment of systolic heart failure. B.P. Morgan, S. Walker

Publishing Chemical Data Sponsored by CINF, Cosponsored by ETHX and ORGN

MONDAY EVENING SECTION A Boston Convention & Exhibition Center Exhibit Hall B2/C

Sci-Mix S. M. Silverman, Organizer 8:00 – 10:00 107-108, 110, 113, 115, 120-121, 123, 125-126, 133-134, 142, 145, 149, 154, 157, 163-165, 169, 172-174, 262. See previous listings. 387, 388, 399-401, 403, 407-408, 410, 413-414, 416, 419, 421, 426, 428, 436, 438-439, 443, 444, 450, 453-455, 567, 595-597, 606-607, 611-612, 620, 624, 632, 638-639, 641, 643, 646-647, 649, 652-653. See subsequent listings.

TUESDAY MORNING SECTION A Boston Convention & Exhibition Center Room 255

New Reactions & Methodology R. D. Broene, Organizer M. J. Ardolino, Presiding 8:20 ORGN 283. Redox chain reactions involving quinones. Z. Li 8:40 ORGN 284. Interrupted carbonyl olefin metathesis reaction via oxygen atom transfer. D.J. Nasrallah, J. Ludwig, R. Watson, J.B. Gianino, C. Schindler 9:00 ORGN 285. Functionalized cyclopentadienes via catalytic oxygen-atom transfer. C.C. McAtee, D.J. Nasrallah, D.C. Ellinwood, R. Mcatee, C. Schindler 9:20 ORGN 286. Cyanide-mediated nitrile-to-nitrile cyclocondensation towards efficient synthesis of polysubstituted pyrroles. S. Sisodiya, M. Saini, Y.V. Shah, G. Kumar, D.P. Daniel, N. Hura, V. Chaudhary, S. Guchhait 9:40 ORGN 287. Selective radical-mediated aminofunctionalization of allylic alcohols. S.C. Fosu, K.M. Nakaf*cku, D.A. Nagib 10:00 ORGN 288. One- pot synthesis of BODIPY- dyes through aerobic oxidation of bulky dipyrromethanes. F.Y. Saleh, C. Gianopoulos, M. Mason 10:20 ORGN 289. Solid state reduction of carbonyl compounds. A.Y. Li, A. Segalla, A.H. Moores, C. Li 10:40 ORGN 290. Synthesis and cross-coupling of 1-halo-3-substituted bicyclo[1.1.1]pentanes: En route to 1,4-disubstituted phenyl bioisosteres. D.F. Caputo, C. Arroniz, A.F. Stepan, J. Mousseau, E. Anderson 11:00 ORGN 291. Discovery of a novel alpha-arylation reaction and the importance of synthetic innovations in drug discovery and development. M.J. Ardolino

SECTION B Boston Convention & Exhibition Center Room 256

207

TECHNICAL PROGRAM

MONDAY AFTERNOON

TECHNICAL PROGRAM

ORGN Peptides, Proteins & Amino Acids R. D. Broene, Organizer J. Kritzer, Presiding 8:40 ORGN 292. β-peptoidic foldamers with novel threedimensional structures. I. Wellhöfer, C.A. Olsen 9:00 ORGN 293. Design, developments and preliminary circular dichroism spectroscopic investigations of α/βABpeptoids: A class of β-peptoids with backbone chirality. G.A. Sable, H. Lim 9:20 ORGN 294. Assembly of peptidomimetics by multicomponent reactions. I. Jeric 9:40 ORGN 295. Synthesis of peptoid- and N-benzylamidebased blood-brain barrier shuttles. A.J. Rice, B. Eden, W. Bowman, T. Lovett, E. Geissler, S.C. Young 10:20 ORGN 296. Peptide based therapeutics for global non-communicable diseases. K.M. Sicinski, V. Montanari, V. Raman, M. Bienborn, K. Kumar 10:40 ORGN 297. Synthesis of lipopeptide-based immunotherapeutics using a conjugatable immunoadjuvant and evaluation of immune responses. A. Vartak, S.J. Sucheck, N. Nandedkar, M. Hossain, K.A. Wall, M. McInerney 11:00 ORGN 298. Remodeling the hydrophobic face of CSP-1, a peptide autoinducer for quorum sensing in Streptococcus pneumoniae. R.A. Hillman, E.K. Tiwold, B. Koirala, Y. Tal-Gan, M.A. Bertucci 11:20 ORGN 299. Measuring cytosolic penetration using the chloroalkane penetration assay. L. Peraro, K. Deprey, J. Kritzer

SECTION C Boston Convention & Exhibition Center Room 254A

Asymmetric Reactions & Syntheses R. D. Broene, Organizer H. Nguyen, Presiding 8:00 ORGN 300. Relay-PHOS. Ligands with fluxional chirality in asymmetric palladium-catalyzed alyllic alkylation. R. So, M.P. Sibi 8:20 ORGN 301. Asymmetric Diels-Alder reactions catalyzed by chiral N,N’-dioxide-metal complexes. Y. Lu, X. Feng 8:40 ORGN 302. Enantioselective transition metal catalysis using new modular chiral biphosphine-ligands. M. Reiher, H. Schmalz 9:00 ORGN 303. Chiral nickel(II) complex catalyzed enantioselective Doyle-Kirmse reaction of α-diazo pyrazoleamides. X. Lin, X. Liu, X. Feng 9:40 ORGN 304. Asymmetric synthesis of N-Boc-(R)silaproline via Rh-catalyzed intramolecular hydrosilylation of dehydroalanine and continuous flow N-alkylation. J.Y. Chung, M. Shevlin, A. Klapars, M. Journet 10:00 ORGN 305. Regiodivergence in rhodium-catalyzed asymmetric hydroboration. A.J. Bochat, V. Shoba, S. Chakrabarty, G. Hoang, R. Wickrama, H. Palencia, J.M. Takacs 10:20 ORGN 306. Synergistic catalysis: Enantioselective functionalization of alkyl-azaarenes. M. Meazza, R. RiosTorres 10:40 ORGN 307. New approaches for the preparation of elusive chiral synthons. O. Pamies, M. Biosca, M. Magre, P. Norrby, S. Woodward, P. Guiry, M. Diéguez 11:00 ORGN 308. Enantioselective synthesis of cyclopropanes from unactivated alkenes. M. Montesinos, M. Costantini, A. Mendoza 11:20 ORGN 309. Catalytic asymmetric inverse-electron demand 1,3-dipolar cycloaddition of isoquinolinium methylides with enecarbamates by a chiral N,N’-dioxide/ Ag(I) complex. X. Yali, X. Feng 11:40 ORGN 310. Scope and mechanism of iridiumcatalyzed asymmetric fluorination and regioselective radiofluorination of allylic trichloroacetimidates. H.M. Nguyen

SECTION D Boston Convention & Exhibition Center Room 254B

Nanoscience, Nanotechnology & Beyond R. D. Broene, Organizer M. Yan, Presiding 8:30 ORGN 311. Towards the synthesis of a nanoswimmer. S. Mena Hernando, E.M. Perez 9:00 ORGN 312. Container compounds, gearing systems, tweezers and other molecular devices: An introduction to technomimetics. A.A. Gakh

208

9:30 ORGN 313. Characterization of the secondary structure of gas phase artificial molecular machines with ion-mobility mass spectrometry and molecular modeling. B. Mignolet, E. Hanozin, E.A. De Pauw, F. Remacle 10:00 ORGN 314. Turning quantum atomics and machine learning into picotechnology. P.J. MacDougall, K. Donthula 10:30 ORGN 315. Antibiotic-decorated nanoparticles: Synthesis and antimicrobial activity. M. Yan 11:00 ORGN 316. Stimuli responsive bioorthogonal nanocatalysts using iron(II) porphyrin active sites. R. CaoMilán, L.D. He, L. Wang, L. Castellanos, R. Landis, X. Zhang, D. Luther, V.M. Rotello

SECTION E Boston Convention & Exhibition Center Room 253C

Young Academic Investigator Symposium H. M. Davies, L. McElwee-White, Organizers, Presiding 8:20 Introductory Remarks. 8:25 ORGN 317. Organocatalysis of site-selective C-H hydroxylation and amination reactions. M.K. Hilinski 8:50 ORGN 318. Standardizing complex terpenoid synthesis. A.J. Grenning 9:15 ORGN 319. Catalyst-controlled synthesis of stereochemically complex atropisomers. C. Sparr 9:40 ORGN 320. Enabling synthesis: Natural products and simple arenes. D. Sarlah 10:05 Intermission. 10:15 ORGN 321. Strategies for promoting nickel-catalyzed alkene functionalization. T. Diao 10:40 ORGN 322. New frontiers in oxidative catalysis with early transition metals. I. Tonks 11:05 ORGN 323. Computational studies of functionalization of C-H, C-C bonds and olefins. P. Liu 11:30 ORGN 324. Cross-coupling of amides by N–C activation. M. Szostak

SECTION F Boston Convention & Exhibition Center Room 253 A/B

Cope Award Symposium K. L. Lee, Organizer J. Aubé, Presiding 8:00 Introductory Remarks. 8:10 ORGN 325. New transformations involving bond activation. N. Chatani 8:45 ORGN 326. Award Address (Arthur C. Cope Late Career Scholars Award sponsored by the Arthur C. Cope Fund). Discovery in catalysis. F. Glorius 9:20 ORGN 327. Award Address (Arthur C. Cope Mid Career Scholars Award sponsored by the Arthur C. Cope Fund). Stereoselective addition reactions to carbon electrophiles: Conformational analysis, stereoelectronic effects, and reactivity. K.A. Woerpel 9:55 Intermission. 10:10 ORGN 328. Award Address (Arthur C. Cope Mid Career Scholars Award sponsored by the Arthur C. Cope Fund). Synthesis of glycopolymers and mimetics for therapeutic protein delivery. H.D. Maynard 10:45 ORGN 329. Award Address (Arthur C. Cope Late Career Scholars Award sponsored by the Arthur C. Cope Fund). De novo protein design. W.F. Degrado 11:20 ORGN 330. From long-lived carbocations to “The Methanol Economy”, a most rewarding journey. S.G. Prakash

DARPA Make-It Program: Automating Small Molecule Route Design, Optimization & Synthesis Flow Synthesis Sponsored by COMSCI, Cosponsored by ANYL, COMP, MEDI and ORGN

Synthesis & Chemistry of Agrochemicals ACS Industrial Chemistry Award Symposium in honor of George P. Lahm Sponsored by AGRO, Cosponsored by AGFD, ENVR, I&EC‡ and ORGN

TUESDAY AFTERNOON SECTION A Boston Convention & Exhibition Center Room 255

New Reactions & Methodology R. D. Broene, Organizer S. Zultanski, Presiding

1:40 ORGN 331. General approach for diversification and derivatization via intramolecular C−H dithiocarbamylation. C.G. Na, E.J. Alexanian 2:00 ORGN 332. Chemoselective functionalization of aromatic aldehyde via pyridinum-type salt intermediate. T. Kawajiri, R. Ohta, H. Fujioka, H. Sajiki, Y. Sawama 2:20 ORGN 333. New methionine-selective reactions for protein modification. J. Nelson, M. Taylor, M. Garcia Suero, M. Gaunt 2:40 ORGN 334. Stereoselective oxidative glycosylation of anomeric nucleophiles with alcohols and carboxylic acids. T. Yang 3:00 ORGN 335. C-C bond-forming macrocyclization using modular sulfonylhydrazone substrates. W. Xu, L.E. Brown, J.A. Porco 3:20 ORGN 336. Arynes as synthetic building blocks for stereodefined quaternary centers. M. Giroud, N.K. Garg 3:40 ORGN 337. 2-cyano-1,3-dienes by a deconjugative alkylation/Tsuji-Saegusa-Ito oxidation on Knoevenagel adducts: En route to tetrahydrobenzochromene scaffolds. P.V. Navaratne, A.J. Grenning 4:00 ORGN 338. Dehydrogenative anodic cross-coupling of aryls: Sustainable, disruptive and scalable. S.R. Waldvogel

SECTION B Boston Convention & Exhibition Center Room 256

Metal-Mediated Reactions & Syntheses R. D. Broene, Organizer G. Beutner, Presiding 1:20 ORGN 339. Nickel catalyzed synthesis of quinazolinediones and benzoxazinone imines. G. Beutner, W.C. Wertjes, E. Simmons, D.S. Ayers 1:40 ORGN 340. Nickel-catalyzed reductive cleavage of carbon-oxygen bonds in anisole derivatives using an aminoborane reagent. T. Igarashi, N. Chatani, M. Tobisu 2:00 ORGN 341. Nickel-catalyzed cross-electrophile coupling of aryl chlorides with alkyl chlorides. S. Kim, D. Weix 2:20 ORGN 342. Electronically mismatched cycloaddition reactions via single-electron-transfer of iron(III)-polypyridyl complex. J. Shin, S. Eun Young, E. Kang 2:40 ORGN 343. Access to enantioenriched bifunctional CIDA borocyclopropanes: A general solution to the dioxaborolane-mediated cyclopropanation of oxidation-prone and base-sensitive allylic alcohols. S. Siddiqui, C. Navuluri, A.B. Charette 3:00 ORGN 344. Advances in amine arylation using Pd catalysts and mechanistic investigations into the role of the base. M.G. Organ 3:20 Intermission. 3:30 ORGN 345. Avoiding migratory insertion in the coupling of secondary alkylzinc reagents. M.G. Organ 3:50 ORGN 346. Palladium-catalyzed carbocyclizations of unactivated alkyl bromides with alkenes involving autotandem catalysis. A. Venning, M. Kwiatkowski, J.E. Roque Peña, B.C. Lainhart, A.A. Guruparan, E.J. Alexanian 4:10 ORGN 347. Preparation of deuterium labeled compounds by Pd/C-Al-D2O facilitated selective H-D exchange reactions. A. Kokel, B. Torok, D. Kadish 4:50 ORGN 348. Regiodivergent and stereospecific Pd-catalyzed addition of alkynes to allenamides: Ligandcontrolled hydro- and carbopalladation. J. Park, T. Pradhan, H. Kim

SECTION C Boston Convention & Exhibition Center Room 254A

Asymmetric Reactions & Syntheses R. D. Broene, Organizer A. Sather, Presiding 1:15 ORGN 349. Organocatalytic asymmetric cascade reaction of 2-hydroxyphenyl-substituted enones and isocyanates to construct 1,3-benzoxazin-2-ones. S. Guo, X. Liu 1:35 ORGN 350. Asymmetric construction of axially chiral compounds and applications. B. Tan 1:55 ORGN 351. Towards biphenyl based frustrated Lewis pairs: From mono-functionalized to ambiphilic compounds. J. Bortoluzzi, F.R. Leroux, A. Panossian 2:15 ORGN 352. Organocatalyzed asymmetric [4+2] cycloadditions: Constructing complex scaffolds by utilizing tropolones. N. Hammer, K.A. Jorgensen 2:35 ORGN 353. Directing the activation of donoracceptor cyclopropanes towards stereoselective 1,3-dipolar cycloaddition reactions by Brønsted base catalysis. J. Blom 2:55 ORGN 354. Anion recognition and catalytic ability of select chiral silanediols, thioureas, and squaramides. Y. Guan, J. Attard, K. Osawa, S. Kondo, A.E. Mattson

SECTION D Boston Convention & Exhibition Center Room 254B

Peptides, Proteins & Amino Acids R. D. Broene, Organizer R. Scheck, Presiding 1:20 ORGN 361. Uncovering features that control selective protein glycation. R. Scheck 1:40 ORGN 362. Structure-activity relationships of the S-linked glycocin sublancin. S. Biswas, W.A. Van Der Donk 2:00 ORGN 363. Affinity-based probes to investigate posttranslational modifications. M. Bæk, C.A. Olsen 2:20 Intermission. 2:30 ORGN 364. Teaching an old dog a new trick: Oxime resin as versatile solid-support towards various cyclic peptides scaffolds. C. Berube, A. Borgia, N. Voyer 2:50 ORGN 365. Iminoboronate and imidazolidino boronate mediated peptide cyclization. K. Li, J. Gao 3:10 ORGN 366. Peptides as green epoxidation catalysts: A comparative study of cyclic and linear structures. C. Berube, X. Barbeau, P. Lagüe, N. Voyer 3:30 ORGN 367. Synthesis of novel brominated and chlorinated vinylic fatty acids as effective inhibitors of the Leishmania topoisomerase IB enzyme. N.M. Carballeira, D. Alequin-Torres, L. Lotti Díaz, R. Reguera, Y. Pérez-Pertejo, R. Carbajo, R. Balaña-Fouce

SECTION E Boston Convention & Exhibition Center Room 253C

Young Academic Investigator Symposium H. M. Davies, L. McElwee-White, Organizers, Presiding 1:20 ORGN 368. Regio- and stereocontrol with anions and radicals. J.T. Mohr 1:45 ORGN 369. Acyl radical chemistry: In the age of photoredox catalysis. C. Wallentin 2:10 ORGN 370. Spirocyclic iodonium ylide (SCIDY) mediated 18F-fluorination: A general method for the preparation of PET radiopharmaceuticals. S.H. Liang 2:35 ORGN 371. Catalytic activation of esters: A highthroughput approach to reaction discovery. S. Newman 3:00 Intermission. 3:10 ORGN 372. Controlled cationic polymerizations regulated by light. B.P. Fors 3:35 ORGN 373. Human milk glycome as a defense against pathogens. S.D. Townsend 4:00 ORGN 374. Synthesis and study of noncanonical membrane lipids. N.Z. Burns 4:25 ORGN 375. Spontaneous behaviors and bond strains affect marriages (with your microbiome). H. Park, T. Goddard, J. Oh, C. Perez, B.Q. Mercado, J. Crawford 4:50 Concluding Remarks.

SECTION F Boston Convention & Exhibition Center Room 253 A/B

Cope Award Symposium K. L. Lee, Organizer, Presiding 1:20 Introductory Remarks. 1:30 ORGN 376. Award Address (Arthur C. Cope Late Career Scholars Award sponsored by the Arthur C. Cope Fund). Recent progress in natural product synthesis and Cucatalyzed coupling reactions. D. Ma 2:05 ORGN 377. Award Address (Arthur C. Cope Early Career Scholars Award sponsored by the Arthur C. Cope Fund). Proton-coupled electron transfer in organic synthesis. R.R. Knowles 2:40 Intermission.

2:50 ORGN 378. Award Address (Arthur C. Cope Mid Career Scholars Award sponsored by the Arthur C. Cope Fund). Enantioselective catalysis with organoboron reagents. J.P. Morken 3:25 ORGN 379. Award Address (Arthur C. Cope Early Career Scholars Award sponsored by the Arthur C. Cope Fund). Chemical discovery in the microbial world. E.P. Balskus 4:00 Introduction of Awardee. 4:10 ORGN 380. Award Address (Arthur C. Cope Award sponsored by the Arthur C. Cope Fund). Natural product synthesis as an inspiration for discovery. S.V. Ley

Synthesis & Chemistry of Agrochemicals Kenneth A. Spencer Award: Symposium in Honor of Thomas M. Stevenson Sponsored by AGRO, Cosponsored by AGFD, ENVR, I&EC‡ and ORGN

DARPA Make-It Program: Automating Small Molecule Route Design, Optimization & Synthesis Reaction Planning & Screening Sponsored by COMSCI, Cosponsored by ANYL, COMP, MEDI and ORGN

TUESDAY EVENING SECTION A Boston Convention & Exhibition Center Exhibit Hall B2/C

Biologically Related Molecules & Processes S. M. Silverman, Organizer 5:30 – 7:30 ORGN 381. Chemoenzymatic, stereodivergent total synthesis of azaphilone natural products. J. Pyser, S.B. Dockrey, A.R. Narayan ORGN 382. Biocatalytic biaryl bond formation. S.P. Kelly, M.E. Hinze, J. Yazarians, A.R. Narayan ORGN 383. Biocatalytic benzylic C-H hydroxylation. J. Perkins, T. Doyon, S.B. Dockrey, K. Skinner, A.R. Narayan ORGN 384. Biocatalytic biaryl bond formation. J.A. Yazarians, M.E. Hinze, A.R. Narayan ORGN 385. Synthesis of bulky galactonoamidines for the inhibition of galactosidases. I. Orizu, S. Striegler ORGN 386. Optimization of carbon-13 labeling strategies for new biocatalysis discovery. J. Marin, J. Ludwig ORGN 387. New bifunctional reagents for bioorthogonal conjugations. H. Gu, T. Chio, K. Mukherjee, S.L. Bane ORGN 388. Synthesis of reduced flavone analogues from γ-pyrones. E.M. Gerlach, M.A. Korkmaz, Q. Gao, L.N. Aldrich ORGN 389. Microwave-assisted, asymmetric synthesis of flavonoid derivatives from chalcones. L.L. Xu, T.R. Helgren, D. Sotelo, Y.R. Mehta, M.A. Korkmaz, I. Pavlinov, V.P. Parise, L.N. Aldrich ORGN 390. Fluorinated analogue of the ganglioside GM4 and its application in oligodendrocyte upregulation. T.J. Kieser, N. Santschi, L. Nowack, G. Kehr, T. Kuhlmann, S. Albrecht, R. Gilmour ORGN 391. Antiproliferative and apoptosis-induction studies of 1,4-dihydropyridine derivatives in human lung cancer cells A549. H.M. Patel, M.G. Sharma, M.M. Vala, M.M. Patel, A.C. Dhanasekaran ORGN 392. Synthesis of DNA binding profile of crystal violet derivatives. O. Nunez, T.G. Minehan ORGN 393. Antiangiogenic activity and chemical derivatization of the neurotoxic acetogenin, annonacin isolated from Asimina triloba. F.A. Luzzio, P. Monsen ORGN 394. Synthesis of novel fluorescent probes to elucidate vitamin K binding protein. Y. Ito, Y. Hirota, K. Nakagawa, Y. Suhara ORGN 395. Unveiling the conformational preferences of fructose transporters. V. Begoyan, L. Weselinski, M. Tanasova ORGN 396. Detection and identification of bioactive small molecules produced by the fungal pathogen Batrachochytrium dendrobatidis. M.H. Kehs, B.M. Gillard, L.A. Rollins-Smith, K.P. Minbiole, T.P. Umile ORGN 397. Bioactive small molecules produced by the fungal pathogen Batrachochytrium dendrobatidis and their impact on probiotic bacterial defenses. B.M. Gillard, M.H. Kehs, T.P. Umile ORGN 398. Synthesis of rocaglate photoaffinity probes for target identification studies. N. Vallavoju, H. Yueh, S. Chatterjee, L.E. Brown, I. Kramnik, A.B. Beeler, J.A. Porco

ORGN 399. DNA-catalyst conjugated enzyme mimic for site-selectice chemistry. M.L. Flanagan, A. Goga, L. Young, E. Arguello, D. Colman, J. Kim, J. Krejci, S. Liu, Y. Yao, Y. Zhang, D.J. Gorin ORGN 400. Clickable photoconvertable diazaxanthilidene probe to study protein foldings in live cells. J.V. Jun, C. Haney, M.N. Tran, E. Petersson, D.M. Chenoweth

SECTION A Boston Convention & Exhibition Center Exhibit Hall B2/C

Chemistry of Fullerenes, Carbon Nanotubes & Graphene S. M. Silverman, Organizer 5:30 – 7:30 ORGN 401. Synthesis of heteroleptic iridium (III)+ polypyridyl nanohoop-based complexes. J.L. Collins, A. Sun, J. Van Raden, S. Louie, R. Jasti, C. Stephenson ORGN 402. Synthesis and characterization of [10] cycloparaphenylenes and related compounds containing internal phthalimido bridges. S. Li, M. Aljhdli, K.K. Wang ORGN 403. Longitudinal pi-extension of strained benzenoid macrocycles to PAH-containing macrocycles. N. Mitra ORGN 404. Near-infrared photoluminescent imaging of carbon nanotubes locally implanted in mice. E. Hirata, M. Yudasaka, H. Kataura, T. Tanaka, A. Yokoyama ORGN 405. Metal oxide nanoparticle covalently supported on three-dimensional graphene: Synthesis and catalytic performance. X. Yang ORGN 406. Cycloaddition chemistry of cyclooligo(3,3”-paraterphenylene ethynylene): Precursor to an armchair carbon nanobelt. T.S. Hughes, S. Curtsinger ORGN 407. Copper-catalyzed aziridination of fullerene, carbon nanotubes, and graphite. S. Luo, J.M. Schnorr, T.M. Swager

SECTION A Boston Convention & Exhibition Center Exhibit Hall B2/C

Flow Chemistry & Continuous Processes S. M. Silverman, Organizer 5:30 – 7:30 ORGN 408. Flow chemistry platform for high-throughput screening of rhodium-catalyzed hydroformylation of 1-octene. C. Zhu, C.W. Coley, K. Raghuvanshi, M. Abolhasani ORGN 409. NSERC CREATE Program in Continuous Flow Science. V. Kairouz, S.K. Collins, A.B. Charette ORGN 410. Droplet microfluidics platform for the highthroughput screening of photoredox catalysis reactions. A. Sun, D. Steyer, B. Shay, R. Kennedy, C. Stephenson ORGN 411. Flow chemistry implementation of the “Gupton vinylogous amide chemistry” for high yield, regiospecific, synthesis of unsymmetrical polysubstituted pyrroles and azaisoflavinoids. R.N. Dominey, E.W. Goldman, J.T. Gupton, D. Fisher, J. Noble, C. Perez Mandry

SECTION A Boston Convention & Exhibition Center Exhibit Hall B2/C

Materials, Devices & Switches S. M. Silverman, Organizer 5:30 – 7:30 ORGN 412. Switching between ionic and radical states in a combined quinoidic and thiaazulenic system. S. Intorp, J. Freudenberg, F. Hinkel, U.H. Bunz ORGN 413. Multimodal carbon nanotube-based sensors with tunable sensitivity for nitric oxide detection. L. Je, M. He, S. Savagatrup, T.M. Swager ORGN 414. Conversion of elemental sulfur to materials. H. Lin, T.M. Swager ORGN 415. Synthesis and characterization of new thienoimidazole materials for perovskite solar cells. W. Li, Y. Jheng, C. Su, B. Chen, S. Akula ORGN 416. Ultra-high thermal effusivity materials for resonant ambient thermal energy harvesting. A. Cottrill, V. Koman, A. Liu, M. Strano ORGN 417. Synthesis of new host materials for organic light-emitting diodes guided by computational predictions. D. Wheeler, L. Rainwater, A.L. Tomlinson, M. Jeffries-El ORGN 418. Synthesis of modular CB6 derivatives for HYPERCEST imaging. D.H. Robinson

SECTION A Boston Convention & Exhibition Center Exhibit Hall B2/C

Molecular Recognition & Self-Assembly S. M. Silverman, Organizer

209

TECHNICAL PROGRAM

3:15 ORGN 355. New chiral aziridinylphosphonic acids; synthesis and evaluation of their organocatalytic and biological activity. O. Dogan 3:35 ORGN 356. Development of new Lewis-acid catalyzed methods in organic synthesis. P.S. Riehl, C. Schindler 3:55 ORGN 357. Computation for synthesis: Hydrogen bonding promoted asymmetric nucleophilic fluorination. D. Ascough, V. Gouverneur, R. Paton 4:15 ORGN 358. Hydrogen bonding mediated asymmetric nucleophilic fluorination. F. Ibba, G. Pupo, A. Vicini, V. Gouverneur 4:35 ORGN 359. Diastereocontrolled deboronation of β-sulfinimido bis(boronates): A general stereoselective method to access α,β-disubstituted β-amino alkylboronates. X. Li, D.G. Hall 4:55 ORGN 360. Catalytic asymmetric haloazidation and haloetherification of α,β-unsaturated ketones. P. Zhou, X. Liu, X. Feng

TECHNICAL PROGRAM

ORGN 5:30 – 7:30 ORGN 419. Enantioselective anion recognition with chiral halogen bonding rotaxanes. J.Y. Lim, I. Marques, V. Felix, P. Beer ORGN 420. Synthesis of iron hydrogen phosphate with micro-flower hierarchical structure: Unique morphology and effective peroxidase mimic catalytic performance. M. Sun, P. Wang, M. Lu ORGN 421. Thianthrene based anion sensors. S.I. Etkind, R. Zhu, T.M. Swager ORGN 422. Cyclic paraquat trimers. O. Anamimoghadam, J.A. Cooper, M.T. Nguyen, Q. Guo, I. Roy, L. Redfern, O.K. Farha, J.F. Stoddart ORGN 423. Synthesis of thioether-functionalized liquid crystalline crown ethers. K. Schmitt, J. Kirres, S. Laschat ORGN 424. Pair-inclusion motif for sequence-specific peptide recognition by cucurbit[8]uril. Z. Hirani, H.F. Taylor, A.T. Bockus, A.R. Urbach ORGN 425. Self-assembly of imine-linked macrocycles related to 2D covalent organic frameworks. S. Wang, A. Chavez, W.R. Dichtel ORGN 426. Differential solvation: Proof of concept by solvochromic and temperature-responsive properties of alkyl/ triethylene glycol side chains. P. Öztürk, A. Akdağ ORGN 427. Covalent post-assembly modification triggers multiple structural transformations of a tetrazine-edged Fe4L6 tetrahedron. B.S. Pilgrim, D. Roberts, G. Sirvinskaite, T. Ronson, J. Nitschke

SECTION A Boston Convention & Exhibition Center Exhibit Hall B2/C

Nanoscience, Nanotechnology & Beyond S. M. Silverman, Organizer 5:30 – 7:30 ORGN 428. Complex colloids incorporating GFP chromophores with morphology-related luminescence. C. Lin, L. Zeininger, T.M. Swager

SECTION A Boston Convention & Exhibition Center Exhibit Hall B2/C

Physical Organic Chemistry: Calculations, Mechanisms, Photochemistry & High-Energy Species S. M. Silverman, Organizer 5:30 – 7:30 ORGN 429. Let’s shake things up: An investigation into solid-state Grignard chemistry. I.R. Speight, T.P. Hanusa ORGN 430. Mechanochemistry as an alternative approach to the synthesis of porous metal-organic materials. S. Li, H.M. Titi, C. Mottillo, T. Friscic ORGN 431. Understanding the stepwise mechanism in the formation of halogen-bonded organic cocrystals by mechanochemistry. F. Topic, P. Hindle, M. Arhangelskis, R. Tran, T. Friscic ORGN 432. Understanding mechanochemical syntheses using in situ X-ray diffraction and spectroscopy. P.A. Julien, T. Friscic, I. Malvestiti ORGN 433. Real-time in situ monitoring of solid-state reactions: Accelerated aging vs. mechanical milling. I. Huskić, M. Arhangelskis, T. Friscic ORGN 434. Mechanochemical synthesis of ultralight boron imidazolate structures. C. Lennox, J. Crew, L. Do, A.J. Howarth, O.K. Farha, T. Friscic ORGN 435. Understanding the thermodynamics of stepwise mechanochemical transformations. A.D. Katsenis, M. Arhangelskis, N. Novendra, A. Navrotsky, T. Friscic ORGN 436. Mechanochemical synthesis based on resonant acoustic mixing. H.M. Titi, L. Do, A.D. Katsenis, K. Nagapudi, T. Friscic ORGN 437. Design and synthesis of high-performance hole blocking materials with high triplet energy and glass transition temperature for blue phosphorescent organic lightemitting diodes. S. Jang, Y. Lee ORGN 438. Advances in computational NMR structure elucidation by DP4: Automation, optimisation and raw data analysis. K. Ermanis, A. Howarth, J.M. Goodman ORGN 439. Weighting and scaling methods in vibrational circular dichroism as a predictor of absolute chirality. J. Lam, R.J. Lewis, J.M. Goodman ORGN 440. Generation and reactions of a pyramidalized alkene. E. Brutschea, I. Armento, M.A. Forman ORGN 441. Dipyridinium phenanthrene dihydrodioxin (PDHD): Synthesis, photochemistry, DNA binding and cleaving properties. A. Tikhomirova, R.M. Wilson

210

ORGN 442. Solvent effect and electronic modulation of amide bond resonance in DEET analogs. D. Morrelli, J. Guerra, B. Bajwa, P. Kumar, K.V. Krishnan, S. Maitra ORGN 443. Difluoromethyl group, a hydrogen bond donor. F. Wang, C.D. Sessler, M. Rahm, S. Becker, J.M. Goldberg, S.J. Lippard ORGN 444. Interfacial strategies to study reactive oxygen intermediates. N. Walalawela, S. Belh, B. Malek, A. Greer ORGN 445. Kinetic control in the alkylation of pterin photosensitizers: Synthetic, photochemical, and theoretical studies. N. Walalawela, M. Vignoni, M. Urrutia, S. Belh, E. Greer, A. Thomas, A. Greer ORGN 446. Superhydrophobic photosensitizers: Airborne singlet oxygen killing of an in-vitro oral biofilm at the plastron interface. S. Pushalkar, G. Ghosh, Q. Xu, Y. Liu, A. Ghogare, C. Atem, A. Greer, D. Saxena, A. Lyons ORGN 447. Synthesis and photochemical properties of a series of artificial anthocyanidins. A. Pagan, A. Shalan, R. Mesadieu, J. Lee, J. Kang ORGN 448. DFT calculated reactions of a prenylated phloroglucinol with singlet oxygen. P.P. Mohapatra, A. Greer ORGN 449. Superhydrophobic surface engineering considerations for an enhanced 1O2 output: Theoretical evaluation of maximizing the sensitizer population in the plastron. S. Belh, G. Ghosh, Q. Xu, A. Lyons, A. Greer ORGN 450. Mild radical fluorination promoted by halogen bonding. S. Baker, A.M. Hua, R. Baxter ORGN 451. Computational studies of intermolecular Diels– Alder reactions of α-amido acrylates. N. Sizemore, E. Heil ORGN 452. Spectrophotometric study of pH dependent artificial anthocyanidins for dye-sensitized solar cells. H. Khan, Y. Lhamo, M. Mimy, J. Lee, J. Kang ORGN 453. Computational study of stereoselectivity in Cu and Ir-catalyzed hydrogenations. S. Tcyrulnikov, M. Kozlowski ORGN 454. Studies of heavy-atom tunneling in organic reactions. C. Doubleday, D. Walker, R. Armas, C.V. Cosgriff, E. Greer ORGN 455. Exceptionally close, non-bonded hydrogenhydrogen contact with strong through-space spin-spin coupling. Y. Xiao, J.T. Mague, R. Pascal

WEDNESDAY MORNING SECTION A Boston Convention & Exhibition Center Room 255

Total Synthesis of Complex Molecules R. D. Broene, Organizer P. H. Toy, Presiding 8:20 ORGN 456. Synthesis of fatty acid amides from Sichuan pepper. P.H. Toy 8:40 ORGN 457. De novo total syntheses of batatinoside III and its stereoisomers and related stereochemical structure activity relationship (S-SAR). X. Liu, M. Li, G.A. O’Doherty 9:00 ORGN 458. Synthesis of anti-inflammatory oxacyclododecindione-type macrolactones. C. Weber, T. Opatz 9:20 ORGN 459. Total synthesis of ovafolinin A and B. D. Barker, S. Davidson 9:40 ORGN 460. Total synthesis of thiopeptide antibiotics of the D-series. A. Hinds 10:00 ORGN 461. Total synthesis of the neoclerodane diterpene salvinorin A via an intramolecular Diels-Alder strategy. P. Metz, Y. Wang, P. Zimdars 10:20 ORGN 462. Chemical synthesis of illudalic acid. P. Batsomboon, G.B. Dudley 10:40 ORGN 463. Formal synthesis of syringolide 1. S. Mito, S. Kalagara, G. Orozco 11:00 ORGN 464. Synthesis of 9- and 10-membered carbocyclic analogs inspired by the natural product UK2A. J. Wilmot, J. Herrick, D. Jones, K.G. Meyer, C. Yao, F. Li, K. Bravo-Altamirano, R. LaLonde, A. Arnold, J.M. Renga

SECTION B Boston Convention & Exhibition Center Room 256

Metal-Mediated Reactions & Syntheses R. D. Broene, Organizer P. Kaur, Presiding 8:20 ORGN 465. Glycosyl cross-coupling with diaryliodonium salts: Access to aryl C-glycosides of biomedical relevance. D. Yi, M.A. Walczak, F. Zhu 8:40 ORGN 466. Rhodium-catalyzed carbon-oxygen bond reduction and alkynylation of aryl carbamates using alcohol. K. Yasui, N. Chatani, M. Tobisu

9:00 ORGN 467. Glycosyl cross-coupling of anomeric nucleophiles – scope, mechanism and applications in the synthesis of aryl C-glycoside. F. Zhu, M.A. Walczak, P. Liu, D. Yi, T. Yang 9:20 ORGN 468. Iron(II)chloride assisted tertiary allylic alcohol rearrangement. A.A. Oppong, B.L. DeBoef 9:40 ORGN 469. Ruthenium-catalyzed C-H arylation of 1-naphthol with aryl and heteroaryl halides. A.M. Spiewak, D. Weix 10:00 Intermission. 10:10 ORGN 470. Non-traditional approach to chemical catalysis to achieve selective reaction pathways. S. Handa, M. Bihani, F. Ibrahim, J.D. Smith 10:30 ORGN 471. Synthesis of polyurethane monomers from renewable resources via one-pot isomerization metathesis reactions. E. Kovacs, G. Turczel, L. Szabó, R. Varga, I. Tóth, P.T. Anastas, R. Tuba 10:50 ORGN 472. Catalytic direct transformation of amides and imides: Useful chemistry for medicinal chemistry and natural product synthesis. P. Huang 11:10 ORGN 473. NiBr2 catalyzed oxidative esterification of allylic sp3-carbon via cross-dehydrogenative coupling followed by in-situ reduction. P. Kaur

SECTION C Boston Convention & Exhibition Center Room 254A

Asymmetric Reactions & Syntheses R. D. Broene, Organizer S. N. Greszler, Presiding 8:00 ORGN 474. Asymmetric [2+2] cycloaddition of alkynones with cyclic enol silyl ethers and double Michael additions for the synthesis of spirooxindoles. T. Kang, X. Feng 8:20 ORGN 475. Asymmetric intramolecular Cannizzaro reaction and MPV reaction: Hydride transfer reactions enabled by Lewis acid catalysis. W. Wu, X. Feng 8:40 ORGN 476. De novo synthesis of 5a-carbasugar analogues of SL0101. Y. Li, G.A. O’Doherty 9:00 ORGN 477. New efficient catalyst libraries for the preparation of challenging high value chiral compounds. M. Diéguez, M. Biosca, J. Margalef, P. Norrby, F. Maseras, M.A. Pericas, O. Pamies 9:20 ORGN 478. Enabling synthesis of ABBV-2222, a phase-II clinical candidate for the treatment of cystic fibrosis. S.N. Greszler, G. Halvorsen, X. Searle, B. Shelat, E.A. Voight, X. Wang 9:40 ORGN 479. Asymmetric synthesis of gonytolide A. X. Wu, T. Iwata, A. Scharf, T. Qin, K. Reichl, J.A. Porco 10:00 ORGN 480. Enzyme cascade reaction for the synthesis of cyclic imino acid derivatives. H. Kawabata 10:20 ORGN 481. Chiral Brønsted acid-catalyzed asymmetric transformations of 3-substituted 3-hydroxyisoindolinones. M. Gredicak 10:40 ORGN 482. Computations of stereoselectivity of asymmetric allenoate annulations. A. Simon, K.N. Houk 11:00 ORGN 483. Photocatalyzed cascade for synthesis of the tetracyclic core of akuamiline alkaloids. Q. Wang, N. Zheng 11:20 ORGN 484. Chemoenzymatic deracemization of chiral sulfoxides. V. Nosek, J. Misek 11:40 ORGN 485. Practical asymmetric hydrogenation. X. Zhang

SECTION D Boston Convention & Exhibition Center Room 254B

Diminutive Molecules, Big Impact: The Chemistry of ADC Linker-Payloads D. E. Carrera, S. G. Koenig, Organizers, Presiding 8:15 Introductory Remarks. 8:20 ORGN 486. Cysteine arylation to produce site-specific antibody drug conjugates. B.L. Pentelute 8:50 ORGN 487. Characterization of monoclonal antibodies and antibody drug conjugates using microfluidic CE-MS technology. E. Redman, J.P. Guerrette, J.S. Mellors 9:20 ORGN 488. Challenges and opportunities in the synthesis of ADC payloads. W.R. Goundry 9:50 Intermission. 10:10 ORGN 489. Early process development in the synthesis of linked, highly potent payloads for aCD22 and aLy6E antibody conjugation. L. Sirois, Q. Tian, R. Angelaud, H. Yajima, H. Zhou, F. Gosselin 10:40 ORGN 490. Antibody drug conjugates: Process development and analytical considerations. M.B. Hay 11:10 ORGN 491. Improved manufacturing process for semi-synthetic calicheamicin linker-payload en route to antibody-drug conjugates. L.J. Letendre

Boston Convention & Exhibition Center Room 253C

Technical Achievements in Organic Chemistry Cosponsored by CTA T. Braden, Organizer, Presiding 8:40 Introductory Remarks. 8:45 ORGN 492. Asymmetric route development of a key fragment (trans-3-amino-4-fluoro-pyrrolidine) in route to PF06747775, an EGFR inhibitor. D. Widlicka 9:15 ORGN 493. From HTS lead to clinic: Discovery of PF-06747775. A high affinity irreversible inhibitor targeting oncogenic EGFR mutants with selectivity over wild-type EGFR. S. Planken 9:45 ORGN 494. Successful fluorination of a challenging heterocycle using anhydrous tetramethylammonium fluoride on pilot scale. J.R. Rizzo, S. Ryan, Y. Lu, M.K. Hawk 10:15 Intermission. 10:30 ORGN 495. Discovery of ABBV/GLPG-2222, a potent, efficacious CFTR corrector for the treatment of cystic fibrosis and back up effort on THP series. B. Liu 11:00 ORGN 496. Considerations in the generation of covalent BTK inhibitors. N. Wilson 11:30 ORGN 497. Spiro-azetidine isoxazolines: The discovery of a new class of oral flea and tick parasiticides in canines. M.P. Curtis

SECTION F Boston Convention & Exhibition Center Room 253B

CH Activation R. D. Broene, Organizer C. E. Hendrick, Presiding 8:20 ORGN 498. Pd-catalyzed γ-C(sp3)–H arylation of free amines using a transient directing group. Y. Chen, J. Yu 8:40 ORGN 499. Orthanilic acids: New transient directing groups for benzaldehyde ortho C-H methylation and fluorination via Pd catalysis. X. Chen, E.J. Sorensen 9:00 ORGN 500. C–H to C–N cross-coupling of sulfonamides with olefins. R. Ma, M. White 9:20 ORGN 501. Computational exploration of Pd(II)catalyzed C–H activations. K. Bay, K.N. Houk 9:40 ORGN 502. Copper-catalyzed intramolecular C-H amination for the synthesis of quinazolinone derivatives and rutaecarpine via ring-opening cyclization (ROC) strategy. S. Malipatel 10:00 Intermission. 10:10 ORGN 503. Catalytic C(sp3)−H alkylation via an iron carbene intermediate. C.I. Wendell, J. Griffin, J. Garwin, M. White 10:30 ORGN 504. C–H functionalization through a NiII/NiIV catalytic cycle. C. Roberts, E. Chong, M.S. Sanford 11:10 ORGN 505. Investigation of TamI, an iterative P450 monoxygenase, for engineering as a biocatalyst for selective C–H oxidation. K.J. Caddell Haatveit, K. Srivastava, S. Newmister, R. Vasquez, S. Yang, M. Garcia-Borràs, K.N. Houk, J. Montgomery, D.H. Sherman 11:30 ORGN 506. Chemoselective Csp3–H functionalization of alkylbenzenes via palladium catalysis. C.E. Hendrick, P.A. Amadeo, P. Nahide, G. Hong, U. Kumar, K.F. VanGelder, M. Kozlowski

Synthesis & Chemistry of Agrochemicals Sponsored by AGRO, Cosponsored by AGFD, ENVR, I&EC‡ and ORGN

WEDNESDAY AFTERNOON SECTION A Boston Convention & Exhibition Center Room 255

Molecular Recognition & Self-Assembly R. D. Broene, Organizer K. A. Wheeler, Presiding 1:20 ORGN 507. Intermolecular interactions and selfassembly of cation-radical salts with weakly-coordinating anions. S.V. Rosokha 1:40 ORGN 508. Structure-driven selection of adaptive transmembrane Na+ carriers or K+ channels. M. Barboiu 2:00 ORGN 509. Outfitting ‘Blue Box’ with short-side arms tunes radical-radical interactions. O. Anamimoghadam, M.T. Nguyen, J.A. Cooper, C. Pezzato, H. Patel, J.F. Stoddart 2:20 ORGN 510. Chiral chromatography to access noncovalent interactions. S.C. Hsu, S.E. Snyder, J. Carey 2:40 ORGN 511. Discrimination and quantitation for carboxylate anions in neutral aqueous solution using a calcein-PAMAM complex. Y. Xu, M. Bonizzoni

3:00 ORGN 512. Higher order cyclodextrin architectures: Synthesis, binding, and colorimetric detection applications. M. Levine, S. Chaudhuri 3:20 ORGN 513. Biomimetic peptide hydrogels for modulating lipoprotein homeostasis. B. Sarkar, P. Nguyen, V.H. Harbour, P. Iglesias-Montoro, V.A. Kumar 3:40 ORGN 514. Structure-targeted, controlled assembly of small molecule-DNA hybrids through tuning small molecule core geometry, supramolecular flexibility, and length of DNA arms. B. Hong, V.Y. Cho, G.C. Schatz, S.T. Nguyen 4:00 ORGN 515. Signal transduction in a covalent postassembly modification cascade. B.S. Pilgrim, D. Roberts, T. Ronson, T. Lohr, J. Nitschke 4:20 ORGN 516. Reverse Hofmeister effects in synthetic hosts: Functional group dependence for the inverse Hofmeister series. J.H. Jordan, A. Wishard, W. Yao, B.C. Gibb 4:40 ORGN 517. Structural divergent reactions on racemic mixtures: The dynamic combinatorial dimension. T.M. Gianga, G. Pantos

SECTION B Boston Convention & Exhibition Center Room 256

Total Synthesis of Complex Molecules R. D. Broene, Organizer C. C. Nawrat, Presiding 1:00 ORGN 518. Total synthesis of parvineostemonine by structure pattern recognition - a unified approach to Stemona and Sarpagine alkaloids. C. Gerlinger 1:20 ORGN 519. Enantioselective total synthesis of (+)-Peganumine A. C. Piemontesi, Q. Wang, J. Zhu 1:40 ORGN 520. Total synthesis of 6,7-dideoxysqualestatin H5. H.A. Almohseni, D.M. Hodgson 2:00 ORGN 521. Total synthesis of the bacterial siderophore madurastatin C1. A. Tyler, M. Hall 2:20 ORGN 522. Total synthesis of (-)-bicubebin A, (-)-bicubebin B and (+)-bicubebin C. D. Barker, S. Davidson 2:40 ORGN 523. Beyond optical rotation in total synthesis: New insights into the stereochemical confusion surrounding frondosin B. C.C. Nawrat, L.A. Joyce 3:00 ORGN 524. Assignment and synthesis of the the true structure of cyclocinamide A. J.K. Cooper, K. Li, J. Aube, J.P. Konopelski 3:20 ORGN 525. Total synthesis of oxaphenalenone natural products derived from corymbiferan lactone E. T. Purgett, M.W. Dyer, J.A. Porco

SECTION C Boston Convention & Exhibition Center Room 254A

Carbon Allotropes, Materials, Devices & Switches R. D. Broene, Organizer B. L. DeBoef, Presiding 1:10 ORGN 526. Magnetic properties of nitroxide radicals in liquid crystalline phases. Y. Uchida, T. Akira, N. Nishiyama 1:30 ORGN 527. Advances in sorbent materials for detection and protection applications. C.A. Roberts, A. Kusterbeck, M. Papantonakis, R.A. McGill 1:50 ORGN 528. Photochemical approaches to induce nanoscale adhesion. S. Mostafavi, F. Tong, C.J. Bardeen 2:10 ORGN 529. Discovering new Faraday rotators: Towards structure-property relationships for magneto-optical effects. M. Peeks, T.M. Swager 2:30 ORGN 530. Covalent and ionic capacity of MOFs to sorb gases. A. Poater, J. Poater, M. Gimferrer 2:50 ORGN 531. New moleuclar and supramolecular architectures for binding xenon. B.L. DeBoef 3:10 ORGN 532. Complementary hydrogen bonding induces dramatic electronic perturbation giving rise to electrical conductivity in weak aromatic donor/acceptor molecules. C. Liu, D.F. Perepichka 3:30 ORGN 533. Electronic structure study of peropyrenes, chiroperopyrenes and teropyrenes. R. Kazemi Khouzani, W. Yang, S. Mukherjee, N. Karunathilake, W. Chalifoux, S.A. Varganov, M.A. Alpuche-Aviles 3:50 ORGN 534. Towards an experimentally-accessible library of carbon schwarzites via zeolite-templating. E. Braun, Y. Lee, M.S. Moosavi, S. Barthel, R. Mercado, I.A. Baburin, D.M. Proserpio, B. Smit 4:10 ORGN 535. Anisotropic magnetic properties of an endohedral metallofullerene for molecular location sensing. Y. Takano, R. Tash*ta, M. Suzuki, H. Imahori, T. Akasaka 4:30 ORGN 536. Preparation of open-cage fullerene derivatives by rhodium(I)-catalyzed [2+2+2] cycloaddition of diynes and C60: An experimental and theoretical study. A. Artigas, E. Castro, A. Pla-Quintana, A. Lledó, L. Echegoyen, M. Solà, A. Roglans

4:50 ORGN 537. Super resolution imaging of graphene nanoribbons decorated with fluorescent dyes. D. Joshi, M. Hauser, A. Berl, G. Veber, K. Xu, F.R. Fischer

SECTION D Boston Convention & Exhibition Center Room 254B

Diminutive Molecules, Big Impact: The Chemistry of ADC Linker-Payloads D. E. Carrera, S. G. Koenig, Organizers, Presiding 1:00 ORGN 538. Building linkerless ADCs and CO-releasing antibodies for cancer therapeutics. G. Bernardes 1:30 ORGN 539. Engineering & manufacture of second generation ADCs: Tools & techniques. G. Allway 2:00 ORGN 540. Process development of highly potent cytotoxic drug-linker payloads. O. Soltani 2:30 ORGN 541. Challenges in development and characterization of calicheamicin ADCs. A.W. Schammel 3:00 Intermission. 3:20 ORGN 542. Process development of the synthesis and purification of a reactive Immuno-PET conjugate intermediate. D.E. Carrera 3:50 ORGN 543. Antibody-drug conjugates: Achieving high bystander killing and improved anti-tumor activity through linker design. W.C. Widdison 4:20 ORGN 544. Development and manufacturing of high DAR (10-15) ADCs utilizing the Dolaflexin® platform. D. Custar 4:50 Concluding Remarks.

SECTION E Boston Convention & Exhibition Center Room 253C

Technical Achievements in Organic Chemistry Cosponsored by CTA T. Braden, Organizer J. Calvin, Presiding 1:00 Introductory Remarks. 1:05 ORGN 545. Leveraging data-rich technologies in process development. M. Christensen 1:35 ORGN 546. Process development of GDC-0810 and the synthesis of highly stereodefined tetrasubstituted acyclic all-carbon olefins via a syn-elimination approach. N. Lim 2:05 ORGN 547. Development of an efficient method to afford (1R,2R,5R)-5-amino-2-methylcyclohexan-1-ol. M.A. Nagy 2:35 ORGN 548. Developing metholodies and reagents to enable drug discovery and identify novel molecular targets. K. Moore 3:05 Intermission. 3:20 ORGN 549. Chemical biology strategies applied to drug discovery: A case study on MCT4 inhibition. R. Tomlinson, A. Kawatkar, P. Castaldi, R. Clark, F. Goldberg, S. Critchlow 3:50 ORGN 550. Synthetic method development in the context of a medicinal program: The discovery of potent and selective inhibitors of NF-kB inducing kinase. G. Castanedo 4:20 ORGN 551. Small molecule discovery at big pharma and small biotech: Factor Xa inhibitors and RORγ agonists. C. VanHuis 4:50 Concluding Remarks.

SECTION F Boston Convention & Exhibition Center Room 253B

CH Activation R. D. Broene, Organizer H. Ge, Presiding 1:20 ORGN 552. Novel strategies for applications of phenols in the anodic dehydrogenative C,C cross-coupling reaction. S. Lips, S.R. Waldvogel 1:40 ORGN 553. Predictive model for oxidative C-H bond functionalization reactivity with 2,3-dichloro-5,6-dicyano-1,4benzoquinone (DDQ). C.A. Morales-Rivera, P.E. Floreancig, P. Liu 2:00 ORGN 554. Intramolecular hydride transfer onto arynes: Transition metal-free C(sp3)-H functionalisation of amines. F. Idiris, C.E. Majesté, C.R. Jones 2:20 ORGN 555. Mechanistic investigation of Pd-catalyzed transannular C–H functionalization of alicyclic amines using model PdII complexes. E.Y. Aguilera, M.S. Sanford 2:40 ORGN 556. Transient ligand enabled β-sp3 C−H bond functionalization of cyclic ketones. K. Seth, S. Laulhe, H. Ge 3:00 Intermission. 3:10 ORGN 557. Catalytic C-H amination within halide redox manifolds. K. Muniz

211

TECHNICAL PROGRAM

SECTION E

TECHNICAL PROGRAM

ORGN/PHYS 3:30 ORGN 558. Regioselective borylation of azinyl heterocycles. J. Wright, P.G. Steel 3:50 ORGN 559. Regioselective C−H alkenylation of fivemembered heteroarenes and its application to the synthesis of benzo-fused heteroarenes. J. Joo 4:10 ORGN 560. Direct difluoromethylation of heterocycles using difluoroacetic acid. J. Nielsen, T. Tung, S.B. Christensen 4:30 ORGN 561. Transient ligands for direct functionalization of aldehydes and amines. H. Ge

Surfactant & Colloid Science as Applied to Agrochemical Formulations Sponsored by AGRO, Cosponsored by AGFD, ENVR‡ and ORGN

Strategies for Radiolabeling Agrochemicals in Regulatory Studies & Advanced Techniques for Characterization Sponsored by AGRO, Cosponsored by ORGN

Synthesis & Chemistry of Agrochemicals: ACS Industrial Chemistry Award Symposium in honor of George P. Lahm Sponsored by AGRO, Cosponsored by AGFD, ENVR, I&EC‡ and ORGN

WEDNESDAY EVENING SECTION A Boston Convention & Exhibition Center Exhibit Hall B1

Heterocycles & Aromatics S. M. Silverman, Organizer 7:00 – 9:00 ORGN 562. Towards the development of cross-conjugated benzobisoxazoles for use in organic photovoltaics. A.A. Burney-Allen, M. Jeffries-El, A.L. Tomlinson ORGN 563. Synthesis of aryl-orthoesters: New building blocks for organic semiconductors. N. Berry, M. Jeffries-El ORGN 564. Efficient synthesis and conformational analysis of N-alkyl aromatic oligoamides bearing pyridinecarboxamides. K. f*ckuda, A. Ito, Y. Shimura, T. Kishi, R. Yamasaki, I. Okamoto ORGN 565. Synthesis of bacteriochlorins with β-meso annulated aromatic rings. H. Fujita, V. Gorre, S.R. Allu, Z. Wu, J.S. Lindsey ORGN 566. Mechanistic studies on Chichibabin pyridinium synthesis. A. Imura, T. Usuki ORGN 567. Green oxidation of biomass-derived feedstocks with sodium chlorite/sulfamic acid. E.M. Serum, C. Sutton, K.D. Grieger, M.P. Sibi ORGN 568. Exploring the scope of cationic 1,3-diazaClaisen rearrangements from in-situ generated carbodiimides that afford highly-substituted cyclic guanidines. J. Tocher, Y. Yang, J.S. Madalengoitia ORGN 569. Synthesis and structural analysis of benzopyrrolo[1,2-a][1,4]diazepin-4-one with Csp3 diversification at the benzylic position. A. Blayo, B. Manteau, S. Mayer ORGN 570. Aryne-mediated intramolecular Alder-ene reaction to form benzocyclobutenes. S. Gupta, D. Lee ORGN 571. Synthesis of binaphthyl chiral selenides which has various aryl groups at 3,3’ position and asymmetric bromolactonization. H. Ichikawa, K. Shiba ORGN 572. Synthesis of multi-deuterated desmosine. R. Yokoo, D. Watanabe, R. Suzuki, T. Usuki ORGN 573. Synthesis and fluorescent properties of 2-((2-aminoethyl) amino)-1-benzyl-5-oxopyrrolidine-3,4-diyl diacetate with europium and terbium. B. Ali ORGN 574. Redox-induced structural switching of linkage bearing aromatic amides aimed at regulation of SNIPER activity. R. Yamasaki, K. Shibuya, A. Ito, K. f*ckuda, I. Okamoto ORGN 575. Fast and efficient synthesis of quinazoline derivatives. M. Lamberto, N. Sivetz, E. Smith, T. Soobryan ORGN 576. Synthesis of unique high fsp3 building blocks for DNA-encoded libraries. A. Szappanos, B. Gyimóthy, K. Niesz, T. Sipöcz ORGN 577. Synthesis of substituted pyrazolines: Inhibitors of bacterial infections. R.E. Sammelson, T. Crull, A. Lloyd, S. McDowell ORGN 578. Spontaneous aerobic oxidation of 1,1,2,2-tetrakis(N-methylpyridin-4-ium)ethane iodide: Reaction mechanism and DNA binding/cleaving activity of the salt and its oxidation products. N. Tcyrulnikov, R.M. Wilson

212

ORGN 579. New insights into the synthesis of imidazo[2,1-b] thiazoles using Lewis and Brønsted acid-catalyzed GröebkeBlackburn-Bienaymé reaction. E.S. Fiorentino, N.S. Anjos, L.S. Longo, Jr ORGN 580. Construction of heterocyclic compounds mediated by samarium(II) diiodide. H. Iwasaki, N. Kojima, M. Yamash*ta ORGN 581. Introducing tetrazole rings to an organic frame to enhance its nitrogen content. J. Ma, H. Yang, G. Cheng ORGN 582. Synthesis of mutagenic DNA adducts derived from 2-amino-α-carboline derivatives. A.A. Oppong, B.L. DeBoef, B. Cho, D. Li ORGN 583. One-pot synthesis of functionalized 1,4-thiazepine derivatives from N-(2,4-pentadiynyl)-βenaminones. E.S. Yilmaz, Y. Kelgokmen, M. Zora ORGN 584. Synthesis of indoloquinolines via domino reactions of ortho-alkynylarylketones. J. Tummatorn, B. Akkachairin, N. Khamsuwan, C. Thongsornkleeb, S. Ruchirawat ORGN 585. Synthesis of tetraarylmethanes via a FriedelCrafts cyclization/desulfurization strategy. A.J. Catino ORGN 586. Heterocyclic amino acids as scaffolds for the synthesis of functionalized chiral 1,3-thiazole and 1,3-selenazole derivatives. A. Sackus, A. Kveselyte, V. Malinauskiene, K. Dzedulionyte, A. Bieliauskas, S. Burinskas, S. Krikstolaityte, F.A. Sløk ORGN 587. Tetrabromo-TIPS-tetraazapentacene and its airstable radical anion. H. Reiss, L. Ji, A. Friedrich, I. Krummenacher, H. Braunschweig, M. Moos, C.A. Lambert, T.B. Marder, J. Freudenberg, F. Hinkel, U. Bunz ORGN 588. Synthesis of 2,4,5-trisubstituted pyridines from N-propargylic β-enaminones. M. Zora, Y. Kelgokmen ORGN 589. Toward synthesis of singlet fission exhibiting mesoionic compounds. G. Çalişgan, A. Akdağ ORGN 590. Synthesis of fluoro-enaminones from 2-fluoroalk-3-yn-1-ones. A.W. Kaspi-Kaneti, A. Walsh, T.L. Olson, D.J. Twardy, R. Dembinski ORGN 591. Synthesis of a novel chiral N,N,O,C-boron chelated dipyrromethene. R.G. Clarke, M. Hall ORGN 592. Copper-catalyzed synthesis of 4-methylene-4,5dihydrooxazoles. M. Ferraro, M.W. Fennie ORGN 593. Synthesis of cyano-labeled tryptophan spectroscopic reporters. M.W. Fennie, J. Mauro ORGN 594. Environmentally benign solid acid-catalyzed coupling of diazonium salts with aromatic hydrocarbons and heterocycles for the syntheses of biaryls and heterobiaryls. G. Pandey, A. Kokel, J. Beuscart, B. Torok ORGN 595. 2,2,2-Trifluoroethoxide: Alternative leaving group for hydrolytically unstable heterocyclic chlorides. E.L. Fisher, J.M. Humphrey, C. Ende ORGN 596. Route optimization and enablement towards the synthesis of pyridopyrazine-1,6-dione gamma secretase modulators via selective 4-methylimidazole N1-Buchwald arylation. J.M. Humphrey, L. Xie ORGN 597. Synthesis and electrochemical properties of redox active diaryl sulfides towards electroactive poly(phenylene sulfide)s. N. Romero, T.M. Swager ORGN 598. Ultrasound-assisted greener reaction of o-phenylenediamine with aldehyde: Benzimidazole versus 1,2-disubstituted benzimidazole formation. D. Bandyopadhyay, D.R. Garcia, J.M. Rock, J. Cruz ORGN 599. Mechanism and methodology of diynal cycloaromatization in the presence of copper, silver, palladium or gold catalysts: Towards extended polycyclic aromatic hydrocarbons. T.S. Hughes, K.M. Allen ORGN 600. Enantioselective Fluorescent Sensors for Chiral Carboxylates. S. Sheykhi

SECTION A Boston Convention & Exhibition Center Exhibit Hall B1

New Reactions & Methodology S. M. Silverman, Organizer 7:00 – 9:00 ORGN 601. Application of miniaturized design of experiments studies to the optimization of a methyl ester hydrolysis. J. Magano, D. Damon, f. Liu, R. Post, B. Sitter, K. Wang ORGN 602. Convenient one-pot synthesis of allysilane from enolizable aryl ketones via abnormal Peterson olefination reaction. M.L. Kwan, Q.D. Tran ORGN 603. Hypervalent iodine mediated alkene functionalization: inter-intramolecular ritter-type aminohydroxylation and diamination. S. Jung, D. Kim, K. Hong ORGN 604. Benzodiazepines via formal aryne C(sp3)-N σ-bond insertion. Y. Yang, C.R. Jones

ORGN 605. Convenient handling of reactive gases: Methods for carbonylation and fluorosulfate synthesis. J. Demaerel, C. Veryser, W.M. De Borggraeve ORGN 606. Catalyst and solvent free microwave-assisted synthesis of substituted 1,2,3-triazoles. S. Roshandel, S.C. Suri, J.C. Marcischak, G. Rasul, S.G. Prakash ORGN 607. Synthesis of α-amino acylboron bearing hydroxylamine moiety for preparation of peptides bearing acylboron moiety. R. Takahashi, J. Taguchi, J.W. Bode, H. Ito ORGN 608. Copper(I)-catalyzed regio- and diastereoselective intramolecular alkylboration of terminal allenes. Y. Ozawa, H. Iwamoto, H. Ito ORGN 609. Siladifluoromethylation of phosphorus compounds using TMSCF3: Accessing a new class of fluorinated phosphorus reagents with a range of potential applications. C. Barrett, V. Krishnamurti, S.G. Prakash ORGN 610. Visible-light-induced thiofluoroalkylation and oxyfluoroalkylation. C. Yu, E. Cho ORGN 611. Direct C(sp2—H) trifluoromethylation of enamides and pyridinones using TMSCF3. V. Krishnamurti, S.B. Munoz, S.G. Prakash ORGN 612. Practical selective monohydrolysis of bulky symmetric diesters. S. Niwayama, J. Shi ORGN 613. Superelectrophilic activation of trifluoromethylaldimine to perform Friedel-Crafts reaction. A. Nirmalchandar, S. Roshandel, H.E. Vaghoo, T. Mathew, S.G. Prakash ORGN 614. Endeavors toward the synthesis of terpenoid frameworks. O. Lahtigui, A.J. Grenning ORGN 615. Organoaluminum mediated abnormal Peterson olefination reaction in allylsilane synthesis from enolizable ketones. M.L. Kwan, P.R. Challen, Q.D. Tran ORGN 616. ASMIC-driven synthesis of vinyl isocyanide. A. Bendia, F. Fleming ORGN 617. Hydroxyammonium salts as simple, versatile, highly effective oxidation catalysts. S.A. Miller, K. Bissett, N. Eddy, N.E. Leadbeater ORGN 618. Lewis acid-catalyzed oxygen-atom-transfer of cyclic, aryl and aliphatic ketones. H.L. Vonesh, H. Albright, M.S. Galliher, C. Schindler ORGN 619. Methylation and ethoxylation strategies employing non-hazardous, stable reagents. M. Bartlett, B. Habtesellassie, J. Lee, U. Gaffney, D.J. Gorin ORGN 620. Synergistic catalysis: Enantioselective ring expansion and ring contraction, merging Pd(0) and secondary amine catalysis. M. Meazza, R. Rios-Torres ORGN 621. Fe(II)-polypyridine/iminopyridine complexes as efficient catalysts for the conversion of CO2 into cyclic carbonate. S. Eun Young, J. Shin, E. Kang ORGN 622. Synthesis of polycyclic (hetero)aromatics from amino substrates. D. Lee, E. Cho ORGN 623. Synthesis of heteroaryl amines through Cu-catalyzed electrophilic amination of O-benzoylhydroxylamines with heteroarenes. S. Lee, Y. Lee ORGN 624. Visible-light promoted isomerization of vinylnitrones to vinyloxaziridines. G. Moura-Letts, A. Zinsky, B. Austin ORGN 625. Selective Friedel-Crafts alkylation of indoles with trichloroacetimidates. T. Suzuki, A.A. Adhikari, J.D. Chisholm ORGN 626. Diastereoselective synthesis of complex carbocycles from substituted vinylnitrones. G. Moura-Letts, L. Tumbelty, B. Austin ORGN 627. Diaza-Claisen rearrangements of substituted diaziridines for the synthesis of benzodiazepines. G. MouraLetts, D. Almond, N. Cinti ORGN 628. Novel synthesis of fused-cyclic ethers via cycloaddition reactions of aldehydes and substituted cyclopropanes. G. Moura-Letts, J. Horgan ORGN 629. Norrish-Yang cyclizations of betaketoformamides: A photochemical approach to 3-hydroxy-beta-lactams. J.L. Markley, T. Morse, N.P. Rath, T.A. Wencewicz ORGN 630. Intramolecular tandem Diels-Alder/Pauson Khand reaction of acyclic tetraenynes for the one-pot preparation of tetracyclic steroid cores. K. Barnett, E. Xu, K.M. Shea ORGN 631. Shapiro elimination/epoxidation-based strategy for the synthesis of cage molecule building blocks. L. Richert, L. Sanchez ORGN 632. Synthesis of 2-amino-4-hydroxybenzoic acid derivatives via biomimetic polyketide aromatization of β,δdiketo-oxazinones. S.R. Goldstein, A.G. Barrett ORGN 633. Using flow chemistry to enable the regio- and enantioselective intermolecular Buchner ring expansion. G.S. Fleming, A.B. Beeler

Molecular Recognition & Self-Assembly

SECTION A

Boston Convention & Exhibition Center Room 256

Boston Convention & Exhibition Center Exhibit Hall B1

Total Synthesis of Complex Molecules S. M. Silverman, Organizer 7:00 – 9:00 ORGN 643. Synthesis of a thiourea analogue of streptolidine lactam. M. Dowgiallo, J. Kirby, R. Manetsch ORGN 644. Studies towards the total synthesis of anguidine. D. Zhao, R. Manetsch ORGN 645. Total synthesis of isotopically-labeled cylindrospermopsin cyanotoxins. J.L. Chen, A.S. Zakarian ORGN 646. Total synthesis of novel pleuromutilin antibiotics. O. Goethe, X. Ma, Z. Wang, A. Heuer, S. Herzon ORGN 647. Development of a synthetic platform for (+)-sinefungin and analogues. B.A. Wright, R.L. Policarpo, M. Shair ORGN 648. Total synthesis of protectin DX, a potent proresolving lipid mediator. J. Dworak, G. Jagdmann, M. Van Zandt ORGN 649. Preparation of a preclinical candidate SQ1274. Z. Huang, R.B. Williams, M. O’Neil-Johnson, c. Starks, G. Eldridge ORGN 650. Total synthesis and structure-activity relationship study of antiproliferative 4-epi-parviflorons. Y. Miyajima, Y. Saito, M. Takeya, M. Goto, K. Goto ORGN 651. Synthesis of a model anthrone C-glycoside. K. Ng, T.G. Minehan ORGN 652. Large scale synthesis of secalonic acids A and D for translational studies. E. Nagy, L.E. Brown, J.A. Porco ORGN 653. Studies toward the total synthesis of poitediene. S. Kim, S. Kim, R.M. Matunas, C. Lee ORGN 654. Studies towards the total synthesis of some pheromonal himachalene sesquiterpenes: Total synthesis of norhimachalene ketone. M.A. Algamal, D.I. Magee ORGN 655. Synthesis of water-soluble CAAC catalyst ligands. E. Kovacs, G. Turczel, M. Nagyházi, G. Szálas, P. Sághy, R. Tuba ORGN 656. Studies toward the synthesis of ent-artemisinin, a potential anti-malarial compound. E. Steiner, M. Hejna, L. Sanchez ORGN 657. Synthetic studies on the seco-steroidal indene AQX-1125. O. Dungan, B. Duffy, D.G. Effiong, S. Fernandes, W.G. Kerr, J.D. Chisholm ORGN 658. Asymmetric total synthesis of haploscleridamine. M. Singha Roy ORGN 659. Progress toward the enantiospecific and stereospecific total synthesis of a number of sarpaginerelated indole alkaloids including hystrixnine and gelsempervines A and B. M. Ahmed Khan, M. Rahman, J.M. Cook ORGN 660. Total synthesis of chrysamides A and B. J. Parent, C. Berube, C. Carpentier, N. Voyer, P. Deslongchamps

THURSDAY MORNING SECTION A Boston Convention & Exhibition Center Room 255

R. D. Broene, Organizer B. J. Cafferty, Presiding 8:40 ORGN 661. Deep cavitand receptor functionalized with Fe(II) and Mn(II) aminopyridine complexes for bioinspired oxidation catalysis. A. Lledo Ponsati, D. Vidal, M. Costas 9:00 ORGN 662. Self-assembly in a dissipative enzymatic reaction network. A. Wong 9:20 ORGN 663. Conformationally programmable chiral foldamers with compact and extended domains controlled by monomer structure. Z. Lockhart, P.C. Knipe 9:40 Intermission. 9:50 ORGN 664. Synthavidin self-assembly using solvatochromic squaraine dyes. T.S. Jarvis, B.D. Smith 10:10 ORGN 665. Self-assembly of tetra- and hexameric metallomacrocycles with Cd(II), Zn(II) and Fe(II) using a tristerpyridine ligand. L. Wang 10:30 ORGN 666. Sequential design, synthesis and selfassembly of 2D supramolecules and hieratical self-assembly study. B. Song 10:50 ORGN 667. Self-assembly and robustness of a complex organic reaction network. B.J. Cafferty, S.N. sem*nov, A. Wong, L. Belding, G.M. Whitesides

SECTION B

Total Synthesis of Complex Molecules R. D. Broene, Organizer J. A. Prieto, Presiding 9:00 ORGN 668. Asymmetric synthesis of 1,4-benzodioxane lignans. L.I. Pilkington, D. Barker 9:20 ORGN 669. Studies towards the synthesis of (-)-dolabriferol: Preparation of the alcohol and acid polypropionate moieties from a common epoxide precursor. J.A. Prieto 9:40 ORGN 670. Unified strategy for step-economical and enantioselective total synthesis of all members of chaetominine natural products. P. Huang 10:00 ORGN 671. Synthetic studies toward the antitumor antibiotic (+)-myrocin C. M. Tomanik, C. Economou, S. Herzon 10:20 ORGN 672. Approach towards total synthesis of spirocalcaridine A and B. R.P. Singh 10:40 ORGN 673. Towards the total synthesis of forosaminyl-griseusin A. C. Liang, Q. Zhang, G. O’Doherty 11:00 ORGN 674. Progress toward the synthesis of anticancer deoxypodophyllotoxin and antiviral F4-4 demostrating the utility of an intramolecular styryl Diels-Alder reaction (ISDA). D.I. Saavedra, B.D. Rencher, M. Andrus 11:20 ORGN 675. Computer-assisted retrosynthetic planning as a tool for organic chemists. Y. Zhou

SECTION C Boston Convention & Exhibition Center Room 254A

Carbon Allotropes, Materials, Devices & Switches R. D. Broene, Organizer C. Chen, Presiding 8:00 ORGN 676. Synthesis and molecular switching of a dodecacationic [3]catenane consisting all mutually repulsive rings. M. Nguyen, J.F. Stoddart 8:20 ORGN 677. Singlet oxygen-cleavable alkoxyacenes. V. Brega, C.T. Doherty, S.W. Thomas 8:40 ORGN 678. Design, synthesis and characterization of an artificial molecular zipper. M. Dumartin, M. Lipke, J.F. Stoddart 9:00 ORGN 679. Exploration of a series of trans-2-(1,2,3triazolyl)-cyclohexanols as potential conformational switches. M.R. Ruyonga, V.V. Samoshin 9:20 ORGN 680. Robust norbornadiene-quadricyclanebased molecular photoswitch. B.E. Tebikachew, K. MothPoulsen 9:40 ORGN 681. Quinoxalinophenanthrophenazine compounds in organic optoelectronic applications. B.R. Kaafarani 10:00 ORGN 682. One-pot Friedländer synthesis of tetra-aza-pentacenes: N-type small molecules for OPV applications. N. Ukwitegetse 10:20 ORGN 683. Synthesis and characterization of high triplet energy phenanthro-triazole and imidazole organic host materials for organic light emitting diode application. M. Idris, C. Coburn, T. Fleetham, S. Forrest, M.E. Thompson 10:40 ORGN 684. Development of structurally simple photochemical tools. P. Wang, X. Ding

11:00 ORGN 685. Tuning stimulus response and material properties in mechanofluorochromic phenylene ethynylene oligomers. S.A. Sharber, K. Shih, A. Mann, F. Frausto, T. Haas, M. Nieh, S.W. Thomas 11:20 ORGN 686. Molecular design, synthesis and characterization of a spiropyran-AIEgen multi-color changing material for sensors. C. Chen, X. Meng, Y. Ma

New Synthetic Tools & Analytical Methods for the Near-IR Sponsored by ANYL, Cosponsored by ORGN

THURSDAY AFTERNOON New Synthetic Tools & Analytical Methods for the Near-IR Sponsored by ANYL, Cosponsored by ORGN

PHYS

Division of Physical Chemistry M. Duncan, Program Chair

SUNDAY MORNING SECTION A Boston Convention & Exhibition Center Room 205A

Characterization, Detection & Application of Excitons in Chemistry Excitons in Molecular Aggregates S. J. Jang, Organizer C. J. Bardeen, Organizer, Presiding 8:30 PHYS 1. Expanded theory of H- and J- molecular aggregates. F.C. Spano 9:00 PHYS 2. Harnessing molecular vibrations to probe exciton dynamics in organic optoelectronic materials. J.B. Asbury 9:30 PHYS 3. Utilizing excitons to study supramolecular nanostructures: In situ hierarchical self-assembling directed by counterions. D. Eisele 10:00 Intermission. 10:20 PHYS 4. Spectroscopic studies of excitoncoupled cyanine dimers (Cy3)2 in double-stranded DNA. A.H. Marcus 10:50 PHYS 5. Characterizing defect-induced excitons with coherent vibrational spectroscopy. R.E. McAnally, J.A. Bender, L. Estergreen, R.M. Haiges, S.E. Bradforth, J. Dawlaty, S.T. Roberts, A. Rury 11:10 PHYS 6. Characterization of excitons in organic small molecule materials. H. Sun, T. Testoff, C.N. Bridgmohan, T. Wang, X. Zhou, D. Liu, W. Li, L. Wang 11:30 PHYS 7. Excitons in carotenoid assemblies. S.J. Doyle, M.J. Tauber

SECTION B Boston Convention & Exhibition Center Room 206A

Chemical Applications of Ultrafast X-ray/XUV Spectroscopy & Scattering Small-Molecule Photophysics Cosponsored by INOR R. van der Veen, J. Vura-Weis, P. Wernet, Organizers, Presiding 8:30 PHYS 8. Photoinduced reaction mechanisms from time-resolved X-ray spectroscopy of ligand- and heteroatoms in ligands and organic molecules. M. Ochmann, A. Hussain, I. von Ahnen, A. Cordones, K. Hong, J.H. Lee, R. Ma, K. Adamczyk, T.K. Kim, R.W. Schoenlein, O. Vendrell, N. Huse 9:10 PHYS 9. Deconvoluting the isotropic and anisotropic ultrafast x-ray scattering of gas-phase N-methylmorpholine following Rydberg excitation. B.M. Stankus, J.M. Ruddock, H. Yong, N. Zotev, D. Bellshaw, T.J. Lane, S. Boutet, M. Liang, S. Carbajo, J.S. Robinson, J.E. Koglin, A. Aquila, Y. Zhang, W. Du, N. Goff, Y. Chang, M.P. Minitti, A. Kirrander, P.M. Weber 9:30 PHYS 10. Ultrafast x-ray molecular dynamics. S.R. Leone

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TECHNICAL PROGRAM

ORGN 634. 1-Butyl-3-methylimidazol-2-ylidene borane: A readily-available, liquid N-heterocyclic carbene borane reagent. D. Bolt, D.P. Curran ORGN 635. Selective formation of conjugated dienes by reductive coupling of allenylboronic acids and tosylhydrazones via hom*oallenylboronic acid. D. Wang, M. de Wit, K. Szabo ORGN 636. Ultrasound-assisted expeditious green synthesis of pyrano[2,3-c]pyrazoles. D. Bandyopadhyay, M.K. Basquez ORGN 637. Catalyst/solvent/support/additive/promoterfree green synthesis of 5-methyl-thiazolidin-4-ones. D. Bandyopadhyay, R. Elizondo ORGN 638. Boron-mediated metal-free multicomponent synthesis of amino acid derivatives in water. K.M. Kossick, N.A. Petasis ORGN 639. Cationic cyclizations of alkylidene betaketoesters. D. Parsons, A.J. Frontier ORGN 640. Development of alkyne di-functionalization methodology. Y. Xing ORGN 641. Copper catalyzed hom*ocoupling and heterocoupling of terminal alkynes. M. Holganza, S. Elfarra, Y. Xing ORGN 642. Gold(I)-catalyzed synthesis of 2-arylthieno[3,2-b] pyridine-5(4H)-ones and studies toward a small-molecule fluorescent probe for vimentin. D. Sung, B. Mun, H. Lee, J. Lee, Y. Lee, J. Lee

TECHNICAL PROGRAM

PHYS 10:10 PHYS 11. Time-resolved gas-phase X-ray scattering to reveal transients in photodissociation reactions. J.M. Ruddock, B.M. Stankus, H. Yong, W. Du, D. Bellshaw, N. Zotev, T.J. Lane, M. Liang, M.P. Minitti, S. Boutet, A. Kirrander, P.M. Weber 10:30 Intermission. 10:50 PHYS 12. Probing chemical dynamics by soft-X-ray transient absorption and XUV photoelectron spectroscopy. H. Wörner 11:30 PHYS 13. Non-adiabatic coherent electron dynamics in iodine monobromide probed by XUV attosecond transient-absorption spectroscopy. Y. Kobayashi, K. Chang, T. Zeng, M. Reduzzi, H. Timmers, M. Sabbar, D.M. Neumark, S.R. Leone 11:50 PHYS 14. Soft-X-ray spectroscopy of the amine group: Hydrogen bond motifs in alkylamine/alkylammonium acidbase pairs. M. Ekimova, M. Kubin, M. Ochmann, J. Ludwig, N. Huse, P. Wernet, M. Odelius, E. Nibbering 12:10 PHYS 15. Femtosecond dynamics in the iodomethane cation investigated by XUV-IR pump-probe ion imaging. L. Banares, G. Reitsma, M.L. Murillo-Sanchez, R. de Nalda, M. Corrales, S. Marggi Poullain, J. Gonzalez-Vazquez, M. Vrakking, O. Kornilov

SECTION C Boston Convention & Exhibition Center Room 205C

Electrochemical Interfaces O. Borodin, L. Meda, Organizers G. Yushin, Organizer, Presiding K. Edstrom, Presiding 8:30 Introductory Remarks. 8:35 PHYS 16. Electrochemical control of interfacial stability. M.Z. Bazant 9:15 PHYS 17. Forming interphases in aqueous, nonaqueous and hybrid electrolytes. K. Xu 9:55 PHYS 18. The electrical double layer and stability window of water-in-salt electrolytes. M. McEldrew, M.Z. Bazant 10:15 PHYS 19. Designing hybrid materials with carbon network to improve the electrochemical performance of Li (Na)-ion batteries. Y. Yu 10:35 Intermission. 10:50 PHYS 20. X-ray microtomography studies of the lithium-metal-block copolymer interface during cycling. N.P. Balsara 11:30 PHYS 21. High-rate energy storage in MXenes with nanoconfined fluids. T. Mathis, X. Wang, Y. Gogotsi 12:10 PHYS 22. Development of nanoscale absorption spectroscopy in water at room temperature using optical tweezers force detection. A. Parobek, J. Black, M. Kamenetska, Z. Ganim

SECTION D Boston Convention & Exhibition Center Room 205B

From Potential Energy Surfaces to Dynamics & Kinetics R. Dawes, A. Jasper, Organizers, Presiding 8:30 PHYS 23. High-accuracy quantum chemical methods for kinetics: Some recent developments. J.F. Stanton 9:05 PHYS 24. Excitonic triplet-triplet coupling in chromophore dimers. L.V. Slipchenko, S. Savikhin 9:40 PHYS 25. Extrapolations in electronic structure and dynamics with global potentials for small carbon clusters at the focal point. A.A. Varandas 10:00 Intermission. 10:20 PHYS 26. First-principle renormalization group methods for multiple potential energy surfaces. F.A. Evangelista, C. Li, J.B. Schriber 10:55 PHYS 27. Accurate interpolation of potential energy curves for bond breaking. D. Goodson 11:15 PHYS 28. AUTOSURF: A code for automated construction of potential energy surfaces. E. Quintas Sánchez, R. Dawes 11:35 PHYS 29. PolyMLR: An analytic moel for polyatomic potentials with fewer unphysical parameters: Application to CO2. N. Dattani

SECTION E Boston Convention & Exhibition Center Room 206B

Information Theory & Dynamics: From Elementary Processes to Systems Chemistry: Symposium in honor of Raphael Levine T. J. Martinez, Organizer S. Kais, Organizer, Presiding

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8:30 Introductory Remarks. 8:35 PHYS 30. Chemical stereodynamics: Retrospect and prospect. D. Herschbach 9:05 PHYS 31. Adventures in cold chemistry. R.N. Zare, N. Mukherjee, W.E. Perreault 9:35 PHYS 32. Conditional analytic solvability of the quantum pendulum eigenproblem. B. Friedrich 10:05 Intermission. 10:35 PHYS 33. Ab initio potential energy surfaces and dynamics for sustainable chemistry. E.A. Carter 11:05 PHYS 34. Understanding the complexity of chemistry in the atmosphere: New problems and challenges. J.S. Francisco 11:35 PHYS 35. Information theory analysis and molecular dynamics simulations for gunshot residue particles. T. Raz Nahum, Y. Hassin, N. Cohen, D. Gohberg

SECTION H Boston Convention & Exhibition Center Ballroom East - Theater 1

Strong Field Chemistry W. Li, H. B. Schlegel, Organizers, Presiding 8:30 Introductory Remarks. 8:35 PHYS 36. Controlling and imaging molecules inside helium nanodroplets with laser pulses. H. Stapelfeldt 9:15 PHYS 37. Strong field coherent control in chemistry. T. Seideman, B. Ashwell, S. Ramakrishna 9:55 Intermission. 10:10 PHYS 38. Molecules under strong laser fields: Shaping ultrafast photodissociation dynamics and stereodynamics. L. Banares, M. Corrales, R. de Nalda 10:50 PHYS 39. Ultrafast hydrogen migration in hydrocarbon molecules and strong field high-resolution spectroscopy. K. Yamanouchi 11:30 PHYS 40. Employing electronic structure and dynamics calculations to interpret weak and strong field ionization pump probe experiments. S. Matsika

SECTION I Boston Convention & Exhibition Center Room 203

Ultrafast Molecular Sciences by Femtosecond Photons & Electrons: Symposium in honor of Ahmed Zewail M. Dantus, D. Zhong, Organizers, Presiding 8:30 Introductory Remarks. 8:35 PHYS 41. Decrypting of the ultrafast and fast deactivation processes in perovskite/QDs hybrid materials. P. Galar, T. Ngo, M. Gutierrez, I. Mora Sero, A. Douhal 9:50 PHYS 42. Imaging carrier diffusion lengths on materials surfaces using 4D electron microscopy. O. Mohammed 10:25 Intermission. 10:40 PHYS 43. Pushing the frontiers of DNA chemistry: Structure, dynamics, and function. M. Zewail-Foote 11:20 PHYS 44. Dynamics of excited electronic states in silver(I) complexes with DNA nucleobases and their self-assembled nanostructures. J.A. Snyder, A.P. Charnay, B. Kohler 11:55 PHYS 45. Probing the binding interactions of [Ru(phen)2dppz]2+ with G-quadruplex DNA by transient emission and absorption spectroscopy. H. Su

Nanotechnology & Single Cell Analysis in Biology & Medicine: Next Frontier Sponsored by ANYL, Cosponsored by BIOL, COLL, MPPG and PHYS

Technical Developments & Applications of Optical Chemical Imaging Sponsored by ANYL, Cosponsored by BIOL‡, COLL and PHYS‡

SUNDAY AFTERNOON SECTION A Boston Convention & Exhibition Center Room 205A

Characterization, Detection & Application of Excitons in Chemistry Excitons in Light Harvesting Complexes & Photovoltaic Devices C. J. Bardeen, Organizer S. J. Jang, Organizer, Presiding

1:30 PHYS 46. Novel spectroscopic probes of excitionic structure and dynamics in photosynthetic systems. B. Rolczynski, S. Yeh, P. Navotnaya, L. Lloyd, A. Ginzburg, H. Zheng, M. Allodi, J. Otto, K. Ashraf, A. Gardiner, R. Cogdell, S. Kais, G.S. Engel 2:00 PHYS 47. Engineered excitonic materials on programmable scaffolds. J. Banal, Y. Vyborna, W. Chen, S. Hart, L. Markova, T. Kondo, W. Bricker, T.R. Shepherd, R. Veneziano, R. Haner, G. Schlau-Cohen, M. Bathe 2:20 PHYS 48. Probing photoinitiated processes of photosystem I and light harvesting chromophores through two-dimensional electronic spectroscopy. J.M. Anna 2:50 PHYS 49. Vibronic coherence in photosynthesis? D. Bennett, S. Blau, C. Kreisbeck, A. Aspuru-Guzik 3:10 Intermission. 3:30 PHYS 50. Molecular excitons. G.D. Scholes 4:00 PHYS 51. Probing structure and dynamics of a confined nanoscale excitonic system by high-sensitivity time-resolved circular dichroism spectroscopy. S. Savikhin, V. Stadnytski, Z. Mitchell, G.S. Orf, R.E. Blankenship, L.V. Slipchenko, Y. Kim 4:20 PHYS 52. Monitoring free carrier emergance in hybrid lead halide perovskites with 10 fs resolution. T. Ghosh, S. Elboher, L. Etgar, S. Ruhman 4:50 PHYS 53. Using bridge oxidation to control electronic coupling and photodynamics in covalent chromophore dimers. C. Cruz, J. Yuan, C. Climent, N. Tierce, P. Christensen, D. Casanova, M. Wolf, E.L. Chronister, C.J. Bardeen

SECTION B Boston Convention & Exhibition Center Room 206A

Chemical Applications of Ultrafast X-ray/XUV Spectroscopy & Scattering Biological Applications Cosponsored by INOR R. van der Veen, J. Vura-Weis, P. Wernet, Organizers J. D. Spence, Presiding 1:30 PHYS 54. Activating metal sites for biological electron transfer. E.I. Solomon 2:15 PHYS 55. Light, molecules, action: Ballistic excited state dynamics of cobalamins revealed by polarized fsXANES. R.J. Sension 3:00 PHYS 56. Ultrafast photophysics of coordination complexes with tabletop XANES. E. Ryland, J. Vura-Weis 3:20 Intermission. 3:40 PHYS 57. Ultrafast reaction pathways in a metalloprotein revealed by optical polarization selected X-ray transient absorption spectroscopy and quantum mechanical calculations. M. Shelby, D. Hayes, P.J. Lestrange, H. Lemke, D. Zhu, X. Li, L.X. Chen 4:25 PHYS 58. Taking snapshots of reaction intermediates in metalloenzymes and catalysts at X-ray free electron lasers. J. Kern, F. Fuller, R. Chatterjee, S. Gul, M. Kubin, R. Mitzner, U. Bergmann, P. Wernet, V.K. Yachandra, J. Yano

SECTION C Boston Convention & Exhibition Center Room 205C

Electrochemical Interfaces L. Meda, G. Yushin, Organizers O. Borodin, Organizer, Presiding Y. Gogotsi, Presiding 1:30 PHYS 59. Surface reactivity of Li-ion intermetallic electrodes in organic carbonate electrolyte. R. Kostecki, I. Hasa, A. Haregewoin, L. Zhang, P. Ross 2:10 PHYS 60. Reactivity descriptor for the oxideelectrolyte interface on positive electrodes in Li-ion batteries. L. Giordano, P. Karayaylali, Y. Yu, Y. Katayama, F. Maglia, S. Lux, Y. Shao-Horn 2:30 PHYS 61. Effect of electrolyte composition on the solid electrolyte interface (SEI) and electrochemical cycling of lithium metal anodes. B.L. Lucht, Z. Brown, S. Jurng 3:10 Intermission. 3:25 PHYS 62. State of the art knowledge about interfaces and interphases in lithium and sodium batteries. K. Edstrom, R. Younesi 4:05 PHYS 63. Imaging electrochemistry in real time by nonlinear photothermal reflectance microscopy. C. Zong, B. Ren, J. Cheng 4:25 PHYS 64. Isolating the impact of structure and surface chemistry in lithium ion batteries. V. Wood 5:05 PHYS 65. Theory of mixed ion-electron transfer kinetics in concentrated solutions and solids. D. Fraggedakis, M. McEldrew, R.B. Smith, Y. Krishnan, P. Bai, M.Z. Bazant

Boston Convention & Exhibition Center Room 205B

From Potential Energy Surfaces to Dynamics & Kinetics R. Dawes, A. Jasper, Organizers F. A. Evangelista, L. V. Slipchenko, Presiding 1:30 PHYS 66. Photochemical dynamics. D.G. Truhlar 2:05 PHYS 67. Novel approaches to nonadiabatic molecular dynamics. O.V. Prezhdo 2:40 PHYS 68. Rigorous trajectory-based methods for simulating nonadiabatic dynamics. C.C. Martens 3:00 PHYS 69. On the exact factorization equations and quantum-classical approximations. G. Gossel, F. Agostini, N. Maitra 3:20 Intermission. 3:40 PHYS 70. Theoretical description of nonadiabatic events in photon and electron driven processes. S. Matsika, M. Fennimore, T. Karsili 4:15 PHYS 71. Modeling conical intersections in adiabatic potentials and their role in surface hopping dynamics. B.R. Galvão 4:35 PHYS 72. 3-D potential energy surfaces on the excited states manifold of norbornadiene-quadricyclane. A. Valentini, S. van den Wildenberg, F. Remacle 4:55 PHYS 73. Light-matter interactions in optical cavities beyond the classical Maxwell description. N. Hoffmann, A. Kelly, C. Schaefer, H. Appel, N. Maitra, A. Rubio

SECTION E Boston Convention & Exhibition Center Room 206B

Information Theory & Dynamics: From Elementary Processes to Systems Chemistry: Symposium in honor of Raphael Levine S. Kais, T. J. Martinez, Organizers J. S. Francisco, Presiding 1:30 PHYS 74. Understanding and improving membrane protein expression in cells. T.F. Miller 2:00 PHYS 75. Cyclic cell state transition is associated with the adaptive resistance to BRAF inhibition in melanomas. Y. Su, X. Lu, G. Li, L. Robert, A. Ng, M. Xue, A. Ribas, D. Baltimore, R. Levine, W. Wei, J.R. Heath 2:30 PHYS 76. Watching a dissociating molecule sample its available phase space. A. Stolow 3:00 PHYS 77. Information and mechanistic patterns of hydrogen oxidation. S. Nicholson, J.R. Green 3:20 Intermission. 3:40 PHYS 78. Shannon entropy and tensor networks: Large scale data compression methods for quantum nuclear dynamics simulations. S.S. Iyengar 4:10 PHYS 79. Kullback-Leibler information entropy associated with nonequilibrium Kappa distributions from the Fokker-Planck equation and the relationship to Tsallis entropy. B. Shizgal 4:40 PHYS 80. Algebraic approach to quantum nuclear dynamics on a grid. K.G. Komarova

SECTION G Boston Convention & Exhibition Center Room 204B

New Spectroscopic Techniques for Astrochemistry Astrochemical Challenges & Opportunities M. McCarthy, Organizer K. N. Crabtree, Organizer, Presiding 1:30 Introductory Remarks. 1:35 PHYS 81. Cavity-enhanced millimeter and submillimeter spectroscopy as a probe of reaction dynamics. S.L. Widicus Weaver, K. Roenitz, C. Wright, H. Bunn, C. Powers, K. Yocum 2:15 PHYS 82. “Grotthuss-like” proton relays in anomalous carbocations dictate spectroscopy, stability and mechanisms: Case studies on small and medium sized non-classical hydrocarbons along with deuterated counterparts. S.S. Iyengar 2:35 PHYS 83. Photoelectron-photoion coincidence spectroscopy for laboratory astrochemistry: VUV Photodynamics of radicals, PAHs, sulfur containing compounds and other peculiar molecules. H.R. Hrodmarsson, G. Garcia, L. Nahon 2:55 Intermission. 3:25 PHYS 84. Computing rotational, rovibrational, and vibrational spectra for astronomical observations: high accuracy line lists for high temperatures, limited line lists for biosignature molecules, and PAH emission spectra. T.J. Lee

4:05 PHYS 85. Utilizing tunable vacuum ultraviolet light for isomer specific detection of complex organic molecules from astrophysical ice analogues: The hydrocarbon chemistry of interstellar ices. M. Abplanalp, S. Góbi, R. Kaiser 4:25 PHYS 86. Developments in high-resolution spectroscopy of Rydberg states of small molecules. T. Barnum, J. Jiang, R. Field

SECTION H Boston Convention & Exhibition Center Ballroom East - Theater 1

Strong Field Chemistry Higher Harmonic Generation W. Li, H. B. Schlegel, Organizers M. Dantus, F. Remacle, Presiding 1:30 PHYS 87. High harmonic generation in chiral media: from chiral discrimination to ultrafast imaging of molecular chirality. D. Ayuso 2:10 PHYS 88. High harmonic & attosecond spectroscopy as atomic and molecular probes. L. Dimauro 2:50 PHYS 89. Role of the super atom molecular orbital (SAMO) electronic states in the strong field photoionization of fullerenes. B. Mignolet, F. Remacle 3:10 Intermission. 3:20 PHYS 90. Ionization-triggered attosecond charge migration. A. Bruner, S. Hernandez, A. Sissay, P. Abanador, M. Gaarde, K. Schafer, K. Lopata 4:00 PHYS 91. Circularly polarized molecular high order harmonics: Generation and applications in attosecond science. A.D. Bandrauk 4:40 PHYS 92. Molecules in extreme rotational states made with strong optical fields: Transient spectroscopy of high-J molecules made in an optical centrifuge. A.S. Mullin

SECTION I Boston Convention & Exhibition Center Room 203

Ultrafast Molecular Sciences by Femtosecond Photons & Electrons: Symposium in honor of Ahmed Zewail M. Dantus, Organizer D. Zhong, Organizer, Presiding 1:30 Introductory Remarks. 1:35 PHYS 93. Proton transfer by carbonic acid: Charge transfer and proton relay. J.T. Hynes, S. Daschakraborty, P.M. Kiefer, D. Pines, E. Pines 2:15 PHYS 94. Ion effect on hydrogen bonding network in water. W. Zhuang 2:50 PHYS 95. Reaction dynamics of Claisen rearrangement simulated in different solvent. Y. Gao, J. Zhang, Y. Lei 3:25 Intermission. 3:40 PHYS 96. Ultrafast x-ray stimulated Raman spectroscopy and diffraction of molecules and molecular chirality. S. Mukamel, J. Rouxel, K. Bennett, M. Kowalewski, D. Cho 4:20 PHYS 97. Watching reacting molecules by femtosecond X-ray liquidography. H. Ihee 4:55 PHYS 98. Molecules at high X-ray intensity: Challenges for theory. R. Santra

Nanotechnology & Single Cell Analysis in Biology & Medicine: Next Frontier Sponsored by ANYL, Cosponsored by BIOL, COLL, MPPG and PHYS

Technical Developments & Applications of Optical Chemical Imaging Sponsored by ANYL, Cosponsored by BIOL‡, COLL and PHYS‡

MONDAY MORNING SECTION A Boston Convention & Exhibition Center Room 205A

Characterization, Detection & Application of Excitons in Chemistry Spatio-Temporal Exciton Dynamics C. J. Bardeen, S. J. Jang, Organizers J. Neaton, Presiding 8:30 PHYS 99. New spatiotemporal approaches to follow ultrafast exciton migration at the nanoscale. S. Penwell, L. Ginsberg, R. Noriega, M. Delor, N.S. Ginsberg

9:00 PHYS 100. Spatial imaging of the molecular structures and energetics associated with singlet fission within single microcrystals using 2D white light and transient absorption microscopy. A. Jones, N. Kearns, J. Ho, J. Flach, M.T. Zanni 9:20 PHYS 101. Exciton dynamics and spectra of organic semiconductors. J. Cao 9:50 PHYS 102. Discovery and room-temperature ultrafast manipulation of strongly bound excitons in anatase TiO2. E. Baldini, A. Dominguez, T. Palmieri, L. Chiodo, M. Palummo, P. Ruello, A. Rubio, M. Chergui 10:10 Intermission. 10:30 PHYS 103. Coherence and energy transfer in conjugated chromophores. S. Tretiak 11:00 PHYS 104. Exciton dynamics in 2D materials. W.A. Tisdale 11:20 PHYS 105. High-dimensional quantum dynamics of exciton migration and dissociation in organic materials: Coherence, confinement and disorder. I. Burghardt 11:50 PHYS 106. Ultra-fast coherent energy transport in organic photovoltaic materials measured at nanoscale. T.G. Goodson

SECTION B Boston Convention & Exhibition Center Room 206A

Chemical Applications of Ultrafast X-ray/XUV Spectroscopy & Scattering Spin Crossover & Transition Metal Photophysics Cosponsored by INOR R. van der Veen, J. Vura-Weis, P. Wernet, Organizers G. A. Vanko, Presiding 8:30 PHYS 107. Ultrafast X-ray laser characterization of electronic excited states in first row transition metal complexes. K. Gaffney, K. Kjaer, A. Cordones, K. Kunnus 9:10 PHYS 108. Fingerprints of electronic, spin and structural dynamics from resonant inelastic soft x-ray scattering in transient photo-chemical species. J. Norell, R. Jay, M. Hantschmann, S. Eckert, M. Guo, K. Gaffney, P. Wernet, M. Lundberg, A. Föhlisch, M. Odelius 9:30 PHYS 109. Ultrafast X-ray spectroscopy of transition metal compounds relevant for catalysis: a study case of a high-valent Fe complex. W. Gawelda, T. Assefa, A. Britz, M. Diez, D. Khakhulin, A. Galler, J. Torres-Alacan, P. Voehringer, C. Bressler 10:10 Intermission. 10:30 PHYS 110. Visualizing Au-Au bond formation in solution with femtosecond X-ray scattering. S. Adachi 11:10 PHYS 111. Coherent structural dynamics observed with femtosecond Fe Kα and Kβ X-ray emission spectroscopies. K. Kunnus, T. Harlang, K. Kjaer, M. Vacher, G. Vanko, K. Haldrup, T.B. van Driel, M. Reinhard, R. Hartsock, E. Biasin, M. Nielsen, V. Sundstrom, M. Lundberg, K. Wärnmark, K. Gaffney 11:30 PHYS 112. Characterizing spin, structure, and frontier orbitals of photoexcited transition metal complexes with precision hard x-ray spectroscopy. A. March

SECTION C Boston Convention & Exhibition Center Room 205C

Electrochemical Interfaces O. Borodin, L. Meda, G. Yushin, Organizers K. Leung, Y. Qi, Presiding 8:30 PHYS 113. Progress in high-capacity gradient cathode materials for rechargeable lithium batteries. Y. Sun 9:10 PHYS 114. A reflection on the performance defining properties induced by the positive electrode – Electrolyte interface chemistry. G. Amatucci, N. Pereira, N. Faenza, F. Badway 9:50 PHYS 115. Electrochemical characteristics of layered cathode materials for lithium ion batteries: Surface, bulk behavior, and thermal properties. C. Tian, M. Doeff 10:10 Intermission. 10:25 PHYS 116. Interfacial chemistry of high-nickel layered oxide cathodes for lithium-ion batteries. A. Manthiram 11:05 PHYS 117. Molecular scale modeling insight into reduction and oxidation reactions in battery electrolytes. O. Borodin, M. Olguin, T.P. Pollard, K. Leiter, J. Knap 11:25 PHYS 118. The critical role of the interface/interphse in the aqueous and solid state electrolyte btteries. C. Wang

SECTION D Boston Convention & Exhibition Center Room 205B

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SECTION D

TECHNICAL PROGRAM

PHYS From Potential Energy Surfaces to Dynamics & Kinetics R. Dawes, A. Jasper, Organizers S. Faraji, C. C. Martens, Presiding 8:30 PHYS 119. Unravelling spectral signatures of large amplitude vibrational motions: Vibrational spectroscopy of solvated ions. A.B. McCoy, L.R. Madison, L. Dzugan, R.J. DiRisio, V. Lee, M. Huang 9:05 PHYS 120. Modeling excited-state intersystem crossing with relativistic time-dependent electronic structure theory. X. Li, D.B. Lingerfelt, J.J. Radler, J.M. Kasper 9:40 PHYS 121. Fragment based ab initio molecular dynamics from simplectic decomposition of molecular structure: Post-Hartree-Fock accuracy at DFT cost for both Born-Oppenheimer and Car-Parrinello-like implementations. S.S. Iyengar 10:00 Intermission. 10:20 PHYS 122. Quantum nonadiabatic dynamics in the moving crude adiabatc representation. A.F. Izmaylov 10:55 PHYS 123. On-the-fly approach for the attosecond quantum dynamics on multiple electronic potentials of diatomic molecules. K.G. Komarova 11:15 PHYS 124. Assessment and comparison of ring polymer molecular dynamics and classical molecular dynamics: Molecular vibrations. J. Zheng, M.J. Frisch 11:35 PHYS 125. Understanding quantum yields in naphthalenes and boron-dipyrromethenes: Towards a prediction of non-radiative decay pathways in organic optoelectronic materials. Z. Lin, A.W. Kohn, T.A. Van Voorhis

SECTION E Boston Convention & Exhibition Center Room 206B

Information Theory & Dynamics: From Elementary Processes to Systems Chemistry: Symposium in honor of Raphael Levine S. Kais, Organizer T. J. Martinez, Organizer, Presiding 8:30 PHYS 126. Fitting the macro and micro together. R.S. Berry 9:00 PHYS 127. Quantum machine learning. S. Lloyd 9:30 PHYS 128. Quantum process tomography via multidimensional spectroscopy. J. Yuen Zhou, D. Arias, D. Eisele, C. Steiner, J. Krich, M.G. Bawendi, K.A. Nelson, A. Aspuru-Guzik 10:00 Intermission. 10:30 PHYS 129. Thermodynamic-like information theoretic surprisal analysis of genomic and metabolic data. F. Remacle 11:00 PHYS 130. Systematic generation of surprises: Application to chemicals with activity of interest. I. Exman 11:30 PHYS 131. Surprisal analysis based characterization of the temporal change of metabolic networks in yeast. E. Askanazi

SECTION G Boston Convention & Exhibition Center Room 204B

New Spectroscopic Techniques for Astrochemistry New Experimental Methods K. N. Crabtree, Organizer M. McCarthy, Organizer, Presiding 8:30 Introductory Remarks. 8:35 PHYS 132. Terrestrial progress toward infrared spectroscopy/detection of hydrocarbon radicals and molecular ions in the interstellar medium. D.J. Nesbitt 9:15 PHYS 133. Preparation, characterization and storage of water vapours highly enriched in its ortho-H2O nuclear spin isomer. P. Ayotte, J. Vermette, I. Braud, P. Turgeon, X. Michaut, G. Alexandrowicz 9:35 PHYS 134. Sub-THz cavity enhanced absorption with a conventional confocal Fabry-Perot resonator. K. Truitt, R. O’Neal, J. Bracewell, L. Duffy 9:55 Intermission. 10:25 PHYS 135. High sensitivity microwave spectroscopy via cryogenic buffer gas cooling. C. Perez, A. Steber, D. Patterson 11:05 PHYS 136. AC Stark effect observed in a microwave(sub)millimeter wave double resonance experiment. K. Roenitz, B. Hays, C. Power, M.N. McCabe, H. Smith, S.L. Widicus Weaver, S.T. Shipman 11:25 PHYS 137. Determination of the sign of the population difference in a two-level system by frequencymodulation spectroscopy. J. Jiang, Z. Du, R. Field

216

SECTION H Boston Convention & Exhibition Center Ballroom East - Theater 1

Strong Field Chemistry W. Li, H. B. Schlegel, Organizers B. Mignolet, T. Weinacht, Presiding 8:30 PHYS 138. Time-resolved excited state dynamics using strong laser fields. A. Stolow 9:10 PHYS 139. Laser-pulse driven electron dynamics and their control treated by wave function methods. P. Saalfrank 9:50 PHYS 140. Coherence as a driving force for the nuclear motion during non-equilibrium electron dynamics. K.G. Komarova 10:10 Intermission. 10:30 PHYS 141. Ultrafast control of photoinduced ringcurrents in benzene. A. Jaron-Becker, T. Joyce 11:10 PHYS 142. Tunneling theory of molecules: Manyelectron and nuclear-motion effects. L. Madsen

SECTION I Boston Convention & Exhibition Center Room 203

Ultrafast Molecular Sciences by Femtosecond Photons & Electrons: Symposium in honor of Ahmed Zewail M. Dantus, D. Zhong, Organizers, Presiding 8:30 Introductory Remarks. 8:35 PHYS 143. From transition state dynamics of proteins to energy hopping in nanoclusters. M. Gruebele 9:15 PHYS 144. A potassium channel conundrum addressed with 2D IR spectroscopy. M.T. Zanni 9:50 PHYS 145. Molecular mechanism of light perception by UV-B photoreceptor UVR8. X. Li, D. Zhong 10:25 Intermission. 10:40 PHYS 146. Ultrafast electron-phonon interaction in emerging semiconductors. X. Zhu 11:20 PHYS 147. Time resolved probing of photo-induced phase transitions in charge density waves. N. Gedik 11:55 PHYS 148. Light-matter interactions in a plasmonic nanocavity. Y. Luo

Computational Photocatalysis: Modeling of Photophysics & Photochemistry at Interfaces Sponsored by COMP, Cosponsored by PHYS

Nanotechnology & Single Cell Analysis in Biology & Medicine: Next Frontier Sponsored by ANYL, Cosponsored by BIOL, COLL, MPPG and PHYS

Technical Developments & Applications of Optical Chemical Imaging Sponsored by ANYL, Cosponsored by BIOL‡, COLL and PHYS‡

MONDAY AFTERNOON SECTION A Boston Convention & Exhibition Center Room 205A

Characterization, Detection & Application of Excitons in Chemistry Excitons in Quantum Dots & Emerging Materials C. J. Bardeen, S. J. Jang, Organizers D. Turner, Presiding 1:00 PHYS 149. Strongly confined excitons and biexcitons in relation to quantum dot lasing. V.I. Klimov 1:30 PHYS 150. Photocatalytic [2+2] cycloaddition sensitized by triplet energy transfer from CdSe quantum dots. C. Wang, Y. Jiang, E. Weiss 1:50 PHYS 151. Biexciton generation and collection efficiency at quantum dot-oxide interfaces. M. Bonn, H. Wang, E. Canovas 2:10 PHYS 152. Turning on forbidden exciton transition in strongly confined CsPbBr3 quantum dots by photoexcitation of bandedge exciton. D.H. Son 2:40 PHYS 153. Luminescence in carbon nanodots: The role of excitonic interactions between graphitic layers. H. Lischka 3:00 Intermission. 3:20 PHYS 154. Measuring the standard chemical potential for creation of an exciton. J. Ryu, D. Baranov, S.D. Park, D.M. Jonas 3:50 PHYS 155. Modulating dynamics of charge transfer in bodipy-carbazol donor-acceptor dyads. E.R. Young, J. Strahan, S. Thayumanavan

4:10 PHYS 156. Photobases: Excited-state C-O bond heterolysis in protic solvents. K. Glusac 4:40 PHYS 157. Layer-number dependence of energy transfer and excitonic coupling observed in monolayer and multilayer MoS2 using ultrafast spectroscopy. R. Wood, L. Lloyd, L. Wang, N.E. Williams, E. Bain, S. Xie, H. Gao, J. Park, G.S. Engel

SECTION B Boston Convention & Exhibition Center Room 206A

Chemical Applications of Ultrafast X-ray/XUV Spectroscopy & Scattering Spin Crossover & Transition Metal Photophysics Cosponsored by INOR R. van der Veen, J. Vura-Weis, P. Wernet, Organizers A. March, Presiding 1:00 PHYS 158. Element-specific view of molecular dynamics and future opportunities for ultrafast chemical science at X-ray FELs. R.W. Schoenlein 1:45 PHYS 159. Dynamcis of local charge densities and metal-ligand covalency in iron complexes from femtosecond resonant inelastic soft X-ray scattering. R.M. Jay, J. Norell, K. Kunnus, M. Lundberg, K. Gaffney, P. Wernet, M. Odelius, A. Föhlisch 2:05 PHYS 160. Ultrafast X-ray spectroscopy of transition metal mixed valence complexes. M.H. Khalil 2:50 Intermission. 3:10 PHYS 161. Following electron and energy transfer through dinuclear complexes using ultrafast optical and multi-edge X-ray transient absorption spectroscopy. D. Hayes, L. Kohler, R.G. Hadt, K.L. Mulfort, L.X. Chen 3:30 PHYS 162. Probing the interplay between electronic and geometric structure in the ultrafast photophysics of transition metal-based chromophores. J.K. McCusker 4:15 PHYS 163. Revealing ultrafast structural dynamics of photo-induced bond formation process in a gold trimer complex by femtosecond X-ray solution scattering. J. Kim, H. Ihee

SECTION C Boston Convention & Exhibition Center Room 205C

Electrochemical Interfaces O. Borodin, L. Meda, G. Yushin, Organizers S. Meng, K. Thomas-Alyea, Presiding 1:00 Introductory Remarks. 1:05 PHYS 164. Interface studies with solid electrolytes. B. Dunn, D. Ashby, C. Choi 1:45 PHYS 165. Atomic scale simulations of interfacial phenomena in solid electrolytes. D. Siegel 2:25 PHYS 166. Stability and kinetics of the Li-LLZO interface. J. Sakamoto 3:05 Intermission. 3:20 PHYS 167. Interface stability of lithium with lipon and lipon-like electrolytes. N.J. Dudney, A. Westover, G. Veith, M. Chi 4:00 PHYS 168. Understanding the interfacial phenomena for all-solid-state batteries (ASSB) comprising sulfide based solid electrolytes. S. Meng

SECTION D Boston Convention & Exhibition Center Room 205B

From Potential Energy Surfaces to Dynamics & Kinetics R. Dawes, A. Jasper, Organizers A. F. Izmaylov, J. Zheng, Presiding 1:00 PHYS 169. Hot atom reactions involving CO2: Comparing gas phase and gas-surface dynamics. G.C. Schatz 1:35 PHYS 170. Non-thermal kinetics and dynamics in combustion and atmospheric chemistry. S.J. Klippenstein 2:10 PHYS 171. Generalized Tolman activation energy method applied to non-thermal reactions. H. Rafatijo, D.L. Thompson 2:30 PHYS 172. Mode specificity in methane (CH2D2) dissociation on Ni(111). E. High, H. Guo, B. Jackson, A. Utz 2:50 Intermission. 3:10 PHYS 173. Including nuclear quantum effects in mixed-quantum classical non-adiabatic dynamics. T.F. Miller 3:45 PHYS 174. Several levels of theory for description of ozone-forming reaction. A. Teplukhin, D. Babikov, B. Kendrick 4:05 PHYS 175. Vibronic effects on the photoabsorption spectrum of 3-phenyl-2-propynenitrile. C.I. Viquez Rojas, K.M. Jawad, T.S. Zwier, L.V. Slipchenko

SECTION E Boston Convention & Exhibition Center Room 206B

Information Theory & Dynamics: From Elementary Processes to Systems Chemistry: Symposium in honor of Raphael Levine S. Kais, T. J. Martinez, Organizers B. Friedrich, Presiding 1:00 PHYS 177. Quantifying early time quantum decoherence dynamics through fluctuations. B. Gu, I. Franco 1:30 PHYS 178. Modelling the electron-nuclear dynamics induced by attosecond and femtosecond pulses in molecules with XFAIMS. B. Mignolet, B. Curchod, T.J. Martinez 2:00 PHYS 179. Path integral Liouville dynamics with deep learning and information entropy. J. Liu 2:30 PHYS 180. Information anatomy of igniting hydrogenoxygen mixtures. R.A. Bone, J.N. Taylor, S. Nicholson, L.B. Newcomb, J.R. Green 2:50 Intermission. 3:10 PHYS 181. Identifying dominant reaction pathways in molecular dynamics simulations. H. Rafatijo, D.L. Thompson 3:40 PHYS 182. In search of the new Hamiltonian: Fragment molecular orbital study of Förster resonance energy transfer between bacteriochlorophylls of Fenna-Matthews-Olson complex. D.S. Kaliakin, Y. Kim, L.V. Slipchenko 4:10 PHYS 183. Connecting bright and dark states through accidental degeneracy caused by lack of symmetry. Z. Hu, G.S. Engel, S. Kais

SECTION F Boston Convention & Exhibition Center Room 207

Materials in Extreme Environments New High Pressure Phases Cosponsored by COMP A. Alexandrova, Organizer E. Zurek, Organizer, Presiding 1:00 Introductory Remarks. 1:05 PHYS 184. Atomistic simulations of the impact of extreme conditions of pressure, shear, and temperature on structures and properties of materials. W.A. Goddard, Q. An, Y. Ma 1:35 PHYS 185. Single-bonded allotrope of nitrogen at high pressure: A combined theoretical and experimental study. Y. Yao 2:05 PHYS 186. Carbon-based clathrates. T.A. Strobel, L. Zhu, G. Borstad, H. Liu, R. Cohen, R. Hoffmann 2:35 Intermission. 2:50 PHYS 187. Pressure tuneable visible-range band gap in the ionic spinel tin nitride. A. Salamat 3:20 PHYS 188. The stability and the structures of Fe-I and Fe-Br compounds under Earth core condition. M. Miao 3:50 PHYS 189. Discovery of novel oxynitrides under high pressure. M. Davari Esfahani, A. James, J.B. Parise, A. Oganov 4:20 PHYS 190. High pressure as a synthetic tool for novel bismuth intermetallic compounds. J.P. Walsh, S.M. Clarke, Y. Meng, S.D. Jacobsen, D.E. Freedman

SECTION G

4:25 PHYS 195. Validating the recent identification of interstellar C60+ using VLT UVES and a new method for high-signal-to-noise HST STIS spectroscopy. M. Cordiner, N. Cox, R. Lallement, F. Najarro, J. Cami, T. Gull, B. Foing, H. Linnartz, D. Lindler, C. Proffitt, P. Sarre, S. Charnley, J. Smoker, A. Fahrang, M. Elyajouri, E. Consortium

TUESDAY MORNING SECTION A

SECTION H

Boston Convention & Exhibition Center Room 205A

Boston Convention & Exhibition Center Ballroom East - Theater 1

Strong Field Chemistry W. Li, H. B. Schlegel, Organizers R. J. Levis, Z. Loh, Presiding 1:30 PHYS 196. Strong field double ionization of molecules. T. Weinacht, S. Matsika, A. Zhao, C. Cheng 2:10 PHYS 197. Strong field ionization with orbital angular momentum light beams measured with three-dimensional velocity imaging technique. Q.L. Nguyen, K.M. Dorney, W.K. Peters, D.E. Couch, L.A. Wooldridge, W. Li, H. Kapteyn, M.M. Murnane 2:30 PHYS 198. Disentangling strong field multi-electron dynamics with angular streaking. W. Li 2:50 Intermission. 3:10 PHYS 199. Role of electronic coherences in ultrafast non-equilibrium quantum dynamics in molecules induced by strong short optical pulses. F. Remacle 3:50 PHYS 200. Exploiting photonic reagents for the systematic exploration of molecular dissociative ionization. H.A. Rabitz 4:30 PHYS 201. Photoinduced norbornadiene to quadricyclane isomerization using strong short femtosecond pulses. A. Valentini, S. van den Wildenberg, F. Remacle

SECTION I Boston Convention & Exhibition Center Room 203

Ultrafast Molecular Sciences by Femtosecond Photons & Electrons: Symposium in honor of Ahmed Zewail

Computational Photocatalysis: Modeling of Photophysics & Photochemistry at Interfaces

New Spectroscopic Techniques for Astrochemistry Optical & Infrared Astrochemistry: Large Molecules

Sponsored by COMP, Cosponsored by PHYS

Characterization, Detection & Application of Excitons in Chemistry Model Hamiltonian & First Principles Approaches C. J. Bardeen, S. J. Jang, Organizers J. Herbert, Presiding 8:30 PHYS 209. Excitons in nanotubular molecular aggregates: Inhom*ogeneity, localization, confinement, and transport. J. Knoester 9:00 PHYS 210. Electron-hole screening in excitonic and biexcitonic systems: A real-space perspective. M. Bayne, J. Scher, P. McLaughlin, A. Chakraborty 9:30 PHYS 211. Enhancing singlet-fission dynamics by suppressing destructive interference between charge-transfer pathways. P. Huo 9:50 PHYS 212. Molecular states coupling with surfaces continuum eigenstates: Electron dynamics beyond Fermi golden rule. M. Pavanello 10:20 Intermission. 10:40 PHYS 213. Single- and multi-exciton phenomena in organic materials from first principles. J. Neaton 11:10 PHYS 214. The utility and limitations of the Frenkel exciton-bath model. S.J. Jang 11:30 PHYS 215. Correlated quantum chemistry calculations of excitons in solids. T.C. Berkelbach 12:00 PHYS 216. Computing excitons in helical peptides and nanotubes. J.D. Hirst

SECTION B

M. Dantus, D. Zhong, Organizers, Presiding 1:30 PHYS 202. Probing laser-induced demagnetization dynamics using femtosecond electron diffraction. J. Cao 2:05 PHYS 203. Imaging coherent structural dynamics with ultrafast electron microscopy. D.J. Flannigan, D.R. Cremons, D.X. Du 2:40 PHYS 204. Irreversible dynamics imaged in space and time. B. Chen 3:15 Intermission. 3:30 PHYS 205. Making molecular movies with MeV electrons. X. Wang 4:00 PHYS 206. Capturing nuclear wavepacket dynamics in molecular reactions with femtosecond electron diffraction. M. Centurion 4:30 PHYS 207. Direct imaging of ultrafast structural deformations in excited state neutral polyatomic molecules using laser-induced electron diffraction. K. Amini, M. Sclafani, T. Steinle, J.R. Saavedra, C. Müller, L. Yue, A. Sanchez, B. Wolter, M.G. Pullen, M. Hammer, A. Le, T. Pfeiffer, M. Lewenstein, C. Lin, J. Ullrich, R. Moshammer, J.G. Abajo, S. Gräfe, R. Moszynski, J. Biegert 5:00 PHYS 208. Time-resolved single molecule photochemistry with a femtosecond scanning tunneling microscope. S. Li, S. Chen, L. Wang, H. Wang, J. Li, R. Wu, W. Ho

Boston Convention & Exhibition Center Room 204B

K. N. Crabtree, M. McCarthy, Organizers S. L. Widicus Weaver, Presiding 1:30 Introductory Remarks. 1:35 PHYS 191. Triple-resonance laser spectroscopy of protonated PAHs. T.W. Schmidt, S. Kable, K. Nauta, O. Krechkivska 2:15 PHYS 192. Rotationally-resolved infrared frequency comb spectroscopy of the C60 fullerene. M.L. Weichman, P.B. Changala, T.Q. Bui, K. Iwakuni, J.F. Niedermeyer, K.F. Lee, M.E. Fermann, J. Ye 2:55 Intermission. 3:25 PHYS 193. Interstellar PAHs: From ground to space, expanding spectroscopic frontiers. F. Salama 4:05 PHYS 194. Infrared spectra of protonated and hydrogenated corannulene (C20H10) and sumanene (C21H12) in solid para-hydrogen. P. Sundararajan, M. Tsuge, Y. Lee

251, 264, 311, 329, 348, 357, 370, 416, 420, 426, 438, 455, 462, 480, 489, 501, 506, 512, 552, 558, 582. See subsequent listings.

Nanotechnology & Single Cell Analysis in Biology & Medicine: Next Frontier Sponsored by ANYL, Cosponsored by BIOL, COLL, MPPG and PHYS

Boston Convention & Exhibition Center Room 206A

Chemical Applications of Ultrafast X-ray/XUV Spectroscopy & Scattering Photocatalysis & Photovoltaics Cosponsored by INOR R. van der Veen, J. Vura-Weis, P. Wernet, Organizers L. Baker, Presiding 8:30 Introductory Remarks. 8:40 PHYS 217. Revealing hole trapping in zinc oxide nanoparticles by time-resolved X-ray spectroscopy. T. Penfold, J. Szlachetko, W. Gawelda, F. Santomauro, A. Britz, T. van Driel, L. Sala, S. Ebner, S. Southworth, G. Doumy, A. March, S. Lehmann, T. Katayama, M. Mucke, D. Iablonskyi, Y. Kumagai, G. Knopp, K. Motomura, T. Togashi, S. Owada, M. Yabashi, J. Rittmann, M. Nielsen, M. Pajek, K. Ueda, M. Chergui, R. Abela, C. Milne 9:20 PHYS 218. Femtosecond X-ray spectroscopy of transition metals. G.A. Vanko 10:00 PHYS 219. Electron-hole recombination of water splitting photoanodes. A. Ismail, Y. Uemura, F. de Groot 10:30 Intermission. 10:45 PHYS 220. Probing the dynamics of reaction pathways on metal surfaces using femtosecond X-ray pulses. J. LaRue 11:25 PHYS 221. Small polaron formation in iron oxide nanoparticles: the effect of ligand field and morphology on formation rates. I.J. Porter, S.K. Cushing, L.M. Carneiro, A. Lee, J.C. Ondry, J.C. Dahl, H. Chang, S.R. Leone 11:45 PHYS 222. X-ray spectroscopy studies of long-lived charge separation and electronic structure in trinuclear μ3-oxo-based metal-organic frameworks and complexes. J.V. Lockard, L. Hanna, P. Kucheryavy

SECTION C

Technical Developments & Applications of Optical Chemical Imaging

Boston Convention & Exhibition Center Room 205C

Sponsored by ANYL, Cosponsored by BIOL , COLL and PHYS

Electrochemical Interfaces

MONDAY EVENING

O. Borodin, L. Meda, G. Yushin, Organizers A. Gross, Y. Qi, Presiding 8:30 PHYS 223. Battery modeling with solid electrolytes. K. Thomas-Alyea 9:10 PHYS 224. Chemo-mechanical degradation and optimization of solid electrolyte interphases in Li ion batteries. B.W. Sheldon, W. Zhang, J.H. Cho, R. Kumar 9:50 PHYS 225. Simulating electrochemical evolutions of interfaces/interphases in batteries, and modeling their potential dependences. K. Leung 10:30 Intermission.

‡

SECTION A Boston Convention & Exhibition Center Exhibit Hall B2/C

Sci-Mix M. A. Duncan, Organizer 8:00 – 10:00 15, 37, 41, 50, 72, 83, 97, 128, 145, 172, 186, 194. See previous listings.

‡

217

TECHNICAL PROGRAM

4:25 PHYS 176. Inelastic collisions of Ar and O3. S. Sur, E. Quintas Sánchez, S.A. Ndengue, R. Dawes

TECHNICAL PROGRAM

PHYS 10:45 PHYS 226. Designing artificial solid-electrolyte interphases for single-ion and high-efficiency transport in batteries. L.A. Archer 11:25 PHYS 227. Interfacial chemistry in lithium metal and lithium sulfur batteries. J. Liu

SECTION D Boston Convention & Exhibition Center Room 205B

From Potential Energy Surfaces to Dynamics & Kinetics R. Dawes, A. Jasper, Organizers C. Cavallotti, K. T. Kuwata, Presiding 8:30 PHYS 228. Getting to the heart of combustion: The mysterious QOOH radical and its reactions with molecular oxygen. H.F. Schaefer, K.B. Moore 9:05 PHYS 229. Successes and challenges in predicting combustion kinetics. W.H. Green 9:40 PHYS 230. Accelerated reactive dynamics and automated reaction detection for ReaxFF. F. Goumans, K. Bal, M. Döntgen, E. Neyts, K. Leonhard, O. Carstensen, A. Yakovlev, T. Trnka 10:00 Intermission. 10:20 PHYS 231. Sum over histories representation for chemical kinetics. R.T. Skodje, S. Bai 10:55 PHYS 232. On-the-fly interpolations of quantum mechanical potentials and atomic forces incorporated into a massively parallel multilevel QM/MM simulation tool. M.R. Salazar 11:15 PHYS 233. Chemical mechanism and kinetics of cylclopentanone combustion: A theoretical and RMG approach. S. Khanniche, M.S. Johnson, W.H. Green 11:35 PHYS 234. Mechanism deduction from noisy chemical reaction networks. J. Proppe, M. Reiher

SECTION E Boston Convention & Exhibition Center Room 206B

Structural Photonics: Determining the Structural Influence on the Physical Properties of Photonic Materials Plasmonics K. L. Knappenberger, A. Schwartzberg, Organizers A. E. DePrince, Organizer, Presiding P. Herbert, T. Zhao, Presiding 8:30 Introductory Remarks. 8:35 PHYS 235. Morphology dependent near-field response in atomistic plasmonic nanocavities. L. Jensen 9:10 PHYS 236. Optoelectronic performance of multimetallic nanoparticles synthesized via on-colloid lithography. J. Millstone 9:45 Intermission. 10:00 PHYS 237. Spectroscopy and dynamics of surface plasmon polaritons in noble metal nanostructures. G. Beane, T. Devkota, B. Brown, G.V. Hartland 10:35 PHYS 238. Quantum plasmonics. P.J. Nordlander 11:10 PHYS 239. Plasmonic approaches for visualizing and controlling intercalation-driven phase transformations. J. Dionne, F. Hayee, M. Vadai, D.K. Angell, K. Sytwu

SECTION F Boston Convention & Exhibition Center Room 207

Materials in Extreme Environments Superhard Materials & Materials Under the Influence of Radiation, Field & Temperature Cosponsored by COMP A. Alexandrova, E. Zurek, Organizers T. Strobel, Presiding 8:30 PHYS 240. Exploring plastic and elastic deformations in ultra-hard transition metal borides using high pressure diffraction. S.H. Tolbert 9:00 PHYS 241. Hardness of transition metal boride materials. K.H. Bowen, T. McQueen, A. Alexandrova 9:30 PHYS 242. The charge density of hard materials. M. Eberhart 10:00 Intermission. 10:15 PHYS 243. Inorganic materials discovery and crystal growth in supercritical fluids. T. McQueen 10:45 PHYS 244. Dynamical bonding in metal borides: Ultra-hardness and mixed valency. P.J. Robinson, A. Alexandrova 11:15 PHYS 245. High temperature surface chemistry and emission spectroscopy of individual nanoparticles. B.A. Long, D.J. Rodriguez, C.Y. Lau, S.L. Anderson

218

11:45 PHYS 246. Determining characteristics of enzymes that can function in extreme environments by molecular dynamics simulations of extremophile enzymes. Q. Huang, T. Ichiye

SECTION G Boston Convention & Exhibition Center Room 204B

New Spectroscopic Techniques for Astrochemistry Optical & Infrared Astrochemistry: Small Molecules M. McCarthy, Organizer K. N. Crabtree, Organizer, Presiding 8:30 Introductory Remarks. 8:35 PHYS 247. Broad bandwidth laser frequency combs for terrestrial and astronomical spectroscopy. S. Diddams 9:15 PHYS 248. Purified para and ortho-water for fundamental physics and chemical reactions. J. Kupper 9:35 PHYS 249. Probing vibrationally excited states of astrophysically important species by stimulated emission pumping (SEP) spectroscopy. N. Reilly 9:55 Intermission. 10:25 PHYS 250. Spectroscopy of an argon-oxygen covalent bond in the ArOH+ cation. J.P. Wagner, D. McDonald II, M.A. Duncan 10:45 PHYS 251. Accuracy of spectroscopic constants predicted by explicitly correlated methods. M. Gronowski

SECTION H Boston Convention & Exhibition Center Ballroom East - Theater 1

Strong Field Chemistry W. Li, Organizer H. B. Schlegel, Organizer, Presiding J. Kupper, Presiding 8:30 PHYS 252. Probing spatial and spectroscopic structure information with femtosecond intense laser fields. C. Lin 9:10 PHYS 253. Creating multiple wavepackets during intense field, polyatomic dissociation using the radical cation launch state. R.J. Levis 9:50 PHYS 254. Partitionning method applied to the computation of ultrafast photoionization dynamics in small molecules induced by strong pulses. S. Van den Wildenberg, B. Mignolet, R. Levine, F. Remacle 10:10 Intermission. 10:30 PHYS 255. Vibrational coherences and ultrafast dissociation dynamics of polyatomic molecules induced by intense laser fields. Z. Loh 11:10 PHYS 256. Isotope effect in N2 as a probe of quantum interference features in the nuclear dynamics of attosecond pumped molecules. R.D. Levine

SECTION I Boston Convention & Exhibition Center Room 203

Ultrafast Molecular Sciences by Femtosecond Photons & Electrons: Symposium in honor of Ahmed Zewail M. Dantus, D. Zhong, Organizers, Presiding 8:30 Introductory Remarks. 8:35 PHYS 257. Femtochemistry at its finest: Structure, energy flow and dynamics in photodissociating molecules. L. Banares, M.L. Murillo-Sanchez, S. Marggi Poullain, M. Corrales, J. Gonzalez-Vazquez 9:15 PHYS 258. Ultrafast dynamics of electrons in strongfield ionization of molecules. J. Wu 9:50 PHYS 259. Capturing spectral diffision on ultraslow timescales with two-color IR-IR spectroscopy of temperature controlled cluster ions. M.A. Johnson 10:30 Intermission. 10:45 PHYS 260. Controlled molecules and chemical dynamics in the molecular frame. J. Kupper 11:20 PHYS 261. The Friday voicemail, “You got it correct”. L. Dimauro 11:55 PHYS 262. Femtosecond time-resolved photoelectron spectroscopy: Femtochemistry of the excited state. A. Stolow

Computational Photocatalysis: Modeling of Photophysics & Photochemistry at Interfaces Sponsored by COMP, Cosponsored by PHYS

Technical Developments & Applications of Optical Chemical Imaging Sponsored by ANYL, Cosponsored by BIOL‡, COLL and PHYS‡

Structure & Function of 2D Materials Sponsored by ANYL, Cosponsored by COLL and PHYS

TUESDAY AFTERNOON SECTION A Boston Convention & Exhibition Center Room 205A

PHYS Awards Symposium Cosponsored by PROF M. A. Duncan, Organizer, Presiding 1:30 PHYS 263. Controlled cluster formation and spectroscopic characterization of microsolvated model peptides. E. Garand 2:00 PHYS 264. Proton dynamics, interfacial electric fields, and catalysis. J. Patrow, J.R. Hunt, J. Dawlaty 2:30 PHYS 265. Nanoscale and ultrafast Raman spectroscopies. R.R. Frontiera 3:00 Intermission. 3:15 PHYS 266. Enriching the computational chemistry repertoire for a wide-range of molecular interactions. C. Corminboeuf 3:45 PHYS 267. Electron ratchets. E.A. Weiss, O. Kedem, B. Lau, M.A. Ratner 4:15 PHYS 268. New tools yield new insights in reaction dynamics: Sliced imaging, roaming radicals and more. A.G. Suits 4:45 PHYS 269. Introduction to accelerated molecular dynamics methods. A.F. Voter

Computational Photocatalysis: Modeling of Photophysics & Photochemistry at Interfaces Sponsored by COMP, Cosponsored by PHYS

Structure & Function of 2D Materials Sponsored by ANYL, Cosponsored by COLL and PHYS

WEDNESDAY MORNING SECTION A Boston Convention & Exhibition Center Room 205A

Characterization, Detection & Application of Excitons in Chemistry Excitons & Quantum Light C. J. Bardeen, S. J. Jang, Organizers G. D. Scholes, Presiding 8:30 PHYS 270. Distinguishing between many-body and single particle interactions with indistinguishable photons. E.R. Bittner, C. Silva 9:00 PHYS 271. Solution-based single emitter spectroscopy: Probing linewidths and biexciton quantum yields of single perovskite nanocrystals. H. Utzat, K. Shulenberger, O.B. Achorn, M. Nasilowski, T. Sinclair, M.G. Bawendi 9:20 PHYS 272. Excitons in the steady state: Dynamics induced by natural incoherent light. P.W. Brumer 9:50 PHYS 273. Single chain studies of exciton migration and identity in conjugated polymers. L. Rothberg, B. Martin, L. Wang, P. Wrona 10:20 Intermission. 10:40 PHYS 274. Nonlinear optical molecular spectroscopy with quantum light in microcavities. S. Mukamel, K. Dorfman, F. Schlawin, Z. Zhang, M. Kowalewski, K. Bennett 11:10 PHYS 275. Theory of pump-probe spectroscopy for vibrational-polaritons. R. Ribeiro, J. Yuen-Zhou 11:30 PHYS 276. Polariton-assisted remote energy transfer (PARET). M. Du, L. Martínez-Martínez, R. Ribeiro, Z. Hu, V. Menon, J. Yuen Zhou 12:00 PHYS 277. Excited state proton transfer under electronic light-matter strong coupling. D. Kizhmuri Parappuram, R. Deshmukh, L. Martínez-Martínez, J. YuenZhou, E. Hohenstein, G. John, V. Menon

SECTION B Boston Convention & Exhibition Center Room 206A

Chemical Applications of Ultrafast X-ray/XUV Spectroscopy & Scattering Theory of Excited-State X-ray Spectra Cosponsored by INOR R. van der Veen, J. Vura-Weis, P. Wernet, Organizers F. de Groot, Presiding 8:30 PHYS 278. First principles quantum dynamics for ultrafast X-ray spectroscopy. T. Penfold 9:10 PHYS 279. Modeling X-ray absorption spectroscopy with TDDFT. J.M. Kasper, P.J. Lestrange, T.F. Stetina, X. Li

SECTION C Boston Convention & Exhibition Center Room 205C

Electrochemical Interfaces O. Borodin, L. Meda, G. Yushin, Organizers K. Thomas-Alyea, S. Trabesinger, Presiding 8:30 PHYS 285. Chemical trends in electrochemical energy storage: A computational perspective. A. Gross 9:10 PHYS 286. Understanding structural development of electrodeposited columnar lithium metal. D. Steingart 9:50 PHYS 287. Comparison of the interfacial reaction kinetics and plating morphology of lithium and magnesium anodes. Y. Qi, Y. Li, Z. Liu, L. Chen 10:30 Intermission. 10:45 PHYS 288. Direct proof of Oxidation-and-Transport Processes within Li-ion cells. S. Trabesinger 11:25 PHYS 289. Designing approaches for the controllable formation of two-dimensional heterointerface for electrochemical energy storage. E. Pomerantseva

SECTION D Boston Convention & Exhibition Center Room 205B

From Potential Energy Surfaces to Dynamics & Kinetics R. Dawes, A. Jasper, Organizers F. Paesani, E. Quintas Sánchez, Presiding 8:30 PHYS 290. Collision models for use in master equation analysis of unimolecular reactions. A. Matsugi 9:05 PHYS 291. Coupling automation of single well rate constant estimation with the investigation of multiple well potential energy surfaces. C. Cavallotti 9:40 PHYS 292. Application of machine learning in variational transition state theory. X. Chen, F. Goldsmith 10:00 Intermission. 10:20 PHYS 293. Non-adiabatic quantum reactive scattering. B. Kendrick 10:55 PHYS 294. Muonium reactivity: Isotopic mass effects and challenges for theory in mu atom recombination kinetics studies in the gas phase. D.G. Fleming 11:15 PHYS 295. MCTDH computations of inelastic scattering and molecular spectroscopy for astrochemically relevant molecules. S.A. Ndengue, R. Dawes, Y. Scribano, F. Gatti 11:35 PHYS 296. Ultrafast light-induced coupled electronicnuclear dynamics in the HCN and HNC isomers. S. Van den Wildenberg, O. Roncero, B. Mignolet, F. Remacle

SECTION E Boston Convention & Exhibition Center Room 206B

Structural Photonics: Determining the Structural Influence on the Physical Properties of Photonic Materials Plasmonic/Semiconductor Applications A. E. DePrince, A. Schwartzberg, Organizers K. L. Knappenberger, Organizer, Presiding P. Herbert, H. Zheng, Presiding 8:30 Introductory Remarks. 8:35 PHYS 297. Single nanoparticle spectroelectrochemistry for understanding locally catalyzed redox reactions at the nanometer scale. S. Pan, Y. Wusimanjiang, Y. Ma 9:10 PHYS 298. Localized plasmon resonance in undoped nano-meshed graphene as a potential sensor. M. Desouky, M. Anisur, M. Alba, R. Singh Raman, M. Swillam, N. Voelcker, A. Kasry 9:30 PHYS 299. New strategies for surface-enhanced sensing: N-heterocyclic cabenes as thiol replacements and hyper-Raman scattering. J.P. Camden 10:05 Intermission.

10:20 PHYS 300. Structural dynamics of the oxygen evolving complex unmasked by SERS microscopy. A.J. Wilson, P.K. Jain 10:40 PHYS 301. At the interface of plasmonics and electronic structure theory. G.C. Schatz 11:15 PHYS 302. An electrostatic strategy for designing quantum dot-based nanoprobes. C. Wang, A. Lee, E. Weiss

SECTION F Boston Convention & Exhibition Center Room 207

Materials in Extreme Environments Frontiers of Theory & Experiment for Creating & Probing Materials in Extreme Environments Cosponsored by COMP A. Alexandrova, E. Zurek, Organizers A. Seel, Presiding 8:30 PHYS 303. Controlling deviatoric stress in the diamond anvil cell. S. Dorfman, B. Brugman, E. Straley, J. Nicholas, C. Park, D. Popov 9:00 PHYS 304. Deformation mechanisms at extreme conditions. L. Miyagi 9:30 PHYS 305. Calculating ab initio phase diagrams in AFLOW, a high-throughput materials science database. P. Avery, C. Toher, S. Curtarolo, E. Zurek 10:00 Intermission. 10:15 PHYS 306. Stochastic GW for thousands of electrons and more. D. Neuhauser, E. Rabani, V. Vlcek 10:45 PHYS 307. High-pressure thermo-mechanical properties in the AFLOW database. C. Toher, C. Oses, P. Avery, E. Zurek, S. Curtarolo 11:15 PHYS 308. Generating chemically accurate density functional tight binding models for glycine chemistry at ambient and extreme conditions. M. Kroonblawd, N. Goldman

SECTION G Boston Convention & Exhibition Center Room 204B

New Spectroscopic Techniques for Astrochemistry Solar System & Planetary Atmospheres K. N. Crabtree, M. McCarthy, Organizers S. Brünken, Presiding 8:30 Introductory Remarks. 8:35 PHYS 309. Spectroscopy and data science in the service of planetary remote sensing: the HITRAN and HITEMP databases. I. Gordon, L.S. Rothman, R.V. Kochanov, Y. Tan, C. Hill 9:15 PHYS 310. The ExoMol atlas of cool star and exoplanet molecular opacities. J. Tennyson, S. Yurchenko 9:35 PHYS 311. Novel metalorganic compounds revealed in meterorites. A. Ruf, P. Schmitt-Kopplin 9:55 Intermission. 10:25 PHYS 312. Infrared and near-infrared spectroscopy of hot molecules for exoplanets. P.F. Bernath 11:05 PHYS 313. Inelastic collisions dynamics of opticallycentrifuged high-J molecules: Transient spectroscopy beyond the sudden regime. A.S. Mullin 11:25 PHYS 314. Pyrolysis and matrix-isolation FTIR spectroscopy for characterization of astrochemically significant radicals. G.J. Brown, M.J. Ellis, L.R. McCunn

SECTION H Boston Convention & Exhibition Center Ballroom East - Theater 1

Strong Field Chemistry New Frontiers W. Li, H. B. Schlegel, Organizers A. Jaron-Becker, K. Lopata, Presiding 8:30 PHYS 315. Interatomic/intermolecular Coulombic decay and its exploration by free electron lasers. L.S. Cederbaum 9:10 PHYS 316. Ultrastrong coupling in optical microcavities. L. Martínez-Martínez, R. Ribeiro, J. CamposAngulo, J. Yuen Zhou 9:50 PHYS 317. Computational simulation of molecules interacting with intense laser fields. H.B. Schlegel 10:10 intermission. 10:20 PHYS 318. Roaming chemical reactions under strong field excitation. N. Ekanayake, M. Nairat, N. Weingartz, B. Farris, T. Severt, P. Feizollah, B. Jochim, B. Kaderiya, F. Ziaee, K. Borne, K.R. Pandiri, K. Carnes, D. Rolles, A. Rudenko, I. Ben-Itzhak, J.E. Jackson, B.G. Levine, M. Dantus

11:00 PHYS 319. Theoretical approaches to the electronic and reaction dynamics of molecules induced by intense laser fields. H. Kono, S. Ohmura, T. Kato, M. Kanno, K. Hanasaki 11:40 PHYS 320. Strong-field ionization of laser-aligned molecules. J. Kupper

SECTION I Boston Convention & Exhibition Center Room 203

Ultrafast Molecular Sciences by Femtosecond Photons & Electrons: Symposium in honor of Ahmed Zewail M. Dantus, D. Zhong, Organizers, Presiding 8:30 PHYS 321. Infrared spectrum of H3+ as the probe for cosmic rays. T. Oka 9:05 PHYS 322. Ultrafast photochemistry on oxide surfaces and supported metal clusters. T. Bernhardt 9:40 PHYS 323. Ultrafast exciton dynamics and spatial coherence in 2D colloidal quantum wells. T. Lian 10:15 Intermission. 10:30 PHYS 324. Ultrafast mid-infrared spectroscopy of hydrated protons and proton transport in solvent mixtures. F. Dahms, A. Kundu, M. Ekimova, F. Hoffmann, G. BekçioğluNeff, B.P. Fingerhut, D. Sebastiani, E. Pines, E. Nibbering, T. Elsaesser 11:00 PHYS 325. Femtosecond photochemistry of aqueous permanganate. O. Haggag, P. Malakar, S. Ruhman 11:30 PHYS 326. Femtosecond ion chemistry: Ultrafast intramolecular charge transfer in bifunctional molecular cations after photoionization. P.J. Cheng, P. Yang, B. Lu 12:00 PHYS 327. Internal conversion and intersystem crossing photophysics in UV-excited purine and 2-aminopurine by fs transient vibrational absorption spectroscopy. H. Böhnke, A. Nimmrich, R. Stellmacher, F. Temps

Molecular Interactions of Synthetic Nanoparticles with Membranes Sponsored by ANYL, Cosponsored by COLL and PHYS

Computational Photocatalysis: Modeling of Photophysics & Photochemistry at Interfaces Sponsored by COMP, Cosponsored by PHYS

WEDNESDAY AFTERNOON SECTION A Boston Convention & Exhibition Center Room 205A

Characterization, Detection & Application of Excitons in Chemistry Singlet & Triplet Excitons: Spectroscopy C. J. Bardeen, S. J. Jang, Organizers A. H. Marcus, Presiding 1:30 PHYS 328. Singlet fission, exciton energies, and biexciton binding energies in the six-dimensional space of molecular dimer packing. E.A. Buchanan, A. Zaykov, M. Jovanovic, Z. Havlas, R.W. Havenith, R. Broer, J. Michl 2:00 PHYS 329. Linker dependent singlet fission in tetracene dimers. J. Joy, N. Korovina, M.E. Thompson, S.E. Bradforth 2:20 PHYS 330. Vibronic exciton modeling reveals how vibronic resonance and thermodynamics concertedly drive rapid singlet fission. R. Tempelaar, D.R. Reichman 2:40 PHYS 331. Triplet separation drives singlet fission after femtosecond correlated triplet pair production in rubrene. D. Turner 3:10 Intermission. 3:30 PHYS 332. Theoretical investigations of singlet fission: Mechanisms and molecules. N. Ananth 4:00 PHYS 333. Sensitization of crystalline silicon by singlet exciton fission in tetracene. M. Einzinger, T. Wu, D. Congreve, M. Baldo 4:30 PHYS 334. Ultrafast Dynamics in singlet fission process and its spectroscopic characterization. L. Chen, M. Gelin, W. Domcke 4:50 PHYS 335. Extracting energy from singlet fission materials. S.T. Roberts, A.K. Le, J.A. Bender, D.E. Cotton, A.P. Moon

SECTION B Boston Convention & Exhibition Center Room 206A

219

TECHNICAL PROGRAM

9:30 PHYS 280. Multi-configurational quantum chemical simulations of core-level transitions: Enabling experimental investigations of ultrafast dynamical pathways in photochemical reactions. M. Odelius 10:10 PHYS 281. Bridging X-ray absorption spectra and nuclear quantum effects in the hydrogen bond network of liquid water. Z. Sun, L. Zheng, M. Chen, M.L. Klein, X. Wu, F. Paesani 10:30 Intermission. 10:50 PHYS 282. Probing local and ultrafast spectroscopies by coupled cluster methods. S. Coriani 11:30 PHYS 283. Signatures of nonadiabatic dynamics from time-resolved X-ray spectroscopies. M. Schuurman 11:50 PHYS 284. Simulating the ultrafast X-ray absorption spectroscopy of the hydrated electron. W.J. Glover

TECHNICAL PROGRAM

PHYS Chemical Applications of Ultrafast X-ray/XUV Spectroscopy & Scattering Frontiers in X-ray Methods Cosponsored by INOR R. van der Veen, J. Vura-Weis, P. Wernet, Organizers D. Moonshiram, Presiding 1:30 Introductory Remarks. 1:35 PHYS 336. Exploring molecular reaction dynamics by ultrafast time-resolved gas phase X-ray scattering. M.P. Minitti, J.M. Ruddock, B.M. Stankus, W. Du, H. Yong, N. Goff, D. Bellshaw, N. Zotev, M. Liang, S. Boutet, A. Kirrander, P.M. Weber 2:15 PHYS 337. Radical characterization by ultrafast corelevel spectroscopy. Z. Yang, M. Ephstein, T. Xue, S.R. Leone 2:35 PHYS 338. Femtosecond X-ray experiments: New observables for chemical dynamics studies. C. Bressler 3:15 Intermission. 3:30 PHYS 339. Quantum design of coherent X-rays. T. Popmintchev 4:10 PHYS 340. Stimulated X-Ray emission spectroscopy in transition metal complexes. U. Bergmann 4:50 PHYS 341. XFELs and biology. J. Spence

SECTION C Boston Convention & Exhibition Center Room 205C

Electrochemical Interfaces O. Borodin, L. Meda, G. Yushin, Organizers A. Gross, J. Haskins, Presiding 1:30 PHYS 342. Synthetic chemistry approaches to electrode/electrolyte interface design. P. Liu 2:10 PHYS 343. Structure formation in electrolytes at electrified interfaces. A. Latz, M. Schammer, B. Horstmann 2:50 PHYS 344. Mediating reactions at the cathode in Li-O2 batteries. X. Gao, Y. Chen, J. Lee, P. Bruce 3:30 Intermission. 3:45 PHYS 345. Predicting properties of complex interfaces for energy storage by integrating ab initio simulations with high-fidelity experiments. B. Wood 4:20 PHYS 346. EXPIRE: Extremely passive impact resistant electrolytes. G. Veith 4:55 PHYS 347. Investigations of battery interfaces and interphases with spatially-resolved tools. K.J. Stevenson

SECTION D Boston Convention & Exhibition Center Room 205B

From Potential Energy Surfaces to Dynamics & Kinetics R. Dawes, A. Jasper, Organizers C. Cavallotti, S. A. Ndengue, Presiding 1:30 PHYS 348. Excited-state dynamics in red fluorescent proteins. S. Faraji 2:05 PHYS 349. Modelling condensed phase reaction dynamics using empirical valence bond methods. J.N. Harvey 2:40 PHYS 350. Acceleration of biomolecular kinetics in Gaussian accelerated molecular dynamics. Y. Miao 3:00 PHYS 351. Experimental and theoretical characterization of an ultrafast water-soluble photochromic photoacid. C. Aldaz, T.E. Wiley, P.M. Zimmerman, R.J. Sension 3:20 Intermission. 3:40 PHYS 352. Achieving chemical accuracy across phases through many-body potential energy surfaces. P. Bajaj, M. Riera, F. Paesani 4:15 PHYS 353. High-level ab initio and statistical rate theory treatments of peroxy species in tropospheric chemistry. K.T. Kuwata 4:35 PHYS 354. Reactivity of hydrofluoropolyethers towards OH: A cost-effective implementation of multiconformer transition state theory. L.P. Viegas 4:55 PHYS 355. Chemistry of BrHgO●: Predicting atmospheric fate of a previously-unknown intermediate of mercury oxidation. K. Lam, C.J. Wilhelmsen, A.C. Schwid, Y. Jiao, T.S. Dibble

SECTION E Boston Convention & Exhibition Center Room 206B

220

Structural Photonics: Determining the Structural Influence on the Physical Properties of Photonic Materials Bridging Plasmonics & Semiconductors A. E. DePrince, K. L. Knappenberger, A. Schwartzberg, Organizers J. B. Asbury, P. Herbert, Presiding 1:30 Introductory Remarks. 1:35 PHYS 356. Hybrid plasmonic/quantum dot structures for tailored optical and quantum information properties. S.K. Gray 2:10 PHYS 357. Molecular and collective properties of monolayer-protected gold clusters revealed by nonlinear optical scattering spectroscopy. S. Knoppe, K. Clays, T. Verbiest 2:45 Intermission. 3:00 PHYS 358. Single-nanostructure electron dynamics studied using ultrafast correlated light and electron microscopy (UCLEM). T. Zhao, K.L. Knappenberger 3:20 PHYS 359. Control, spectroscopy, and optimization of hybrid photonic-plasmonic constructs. R.H. Goldsmith, D.J. Masiello 3:40 PHYS 360. Unique hot carrier distributions from scattering-mediated absorption. N. Eldabagh, K.R. Fernando, J. Codrington, J. Foley 4:00 PHYS 361. Coherent vibrational modes in Au144(SC8H9)60 revealed by state-resolved transient spectroscopy. H. Zheng, K.L. Knappenberger

SECTION F Boston Convention & Exhibition Center Room 207

Materials in Extreme Environments Electrides Cosponsored by COMP A. Alexandrova, E. Zurek, Organizers C. Toher, Presiding 1:30 PHYS 362. Pressure-stabilized semiconducting electrides in alkaline-earth- metal subnitrides. Y. Ma 2:00 PHYS 363. Expanded metals and alkalides: The structural evolution of low oxidation state alkali metals in solution. A. Seel, P.P. Edwards, N. Skipper 2:30 PHYS 364. High pressure electrides: A chemical and physical theory. R. Hoffmann 3:00 Intermission. 3:15 PHYS 365. Ion pairing and stability of alkalides in organic solutions. R. Riedel, D. Malko, A. Seel, H. Choi, A. Porch, P.P. Edwards, A.G. Barrett, A. Kucernak 3:45 PHYS 366. Electron configuration and electronegativity of the atoms under compression. M. Rahm, R. Cammi, N. Ashcroft, R. Hoffmann

SECTION G Boston Convention & Exhibition Center Room 204B

New Spectroscopic Techniques for Astrochemistry Kinetics & Dynamics K. N. Crabtree, M. McCarthy, Organizers L. M. Ziurys, Presiding 1:30 Introductory Remarks. 1:35 PHYS 367. Rotational and vibrational action spectroscopy of reactive hydrocarbon cations: Intermediates in interstellar carbon chemistry. S. Brünken, P. Jusko, O. Asvany, B. Redlich, S. Schlemmer 2:15 PHYS 368. Metastable atomic spectroscopy (MAS) of the N(2DJ) atoms using photofragment excitation spectroscopy (PHOFEX) and a slice imaging time of flight mass spectrometer (SI-TOF-MS). Y.C. Chang, K. Liu, K. Kalogerakis, C. Ng, W.M. Jackson 2:35 PHYS 369. High-resolution photoelectron imaging of CnP- clusters: Towards their possible detection in the interstellar medium. G. Kocheril, J.G. Czekner, L. Cheung, L. Wang 2:55 Intermission. 3:25 PHYS 370. IR spectroscopy and ice kinetics. K. Oberg, J. Bergner, I. Cooke 4:05 PHYS 371. Chirped-pulse microwave spectroscopy in uniform supersonic flows: Isomer-specific branching in photodissociation of propargyl radical. B. Broderick, N. Suas-David, N. Dias, A.G. Suits 4:25 PHYS 372. Formation of HC5N in space environments. M. Fournier, B. Joalland, S. Cheikh Sid Ely, J. Guillemin, S.J. Klippenstein, I.R. Sims

SECTION I Boston Convention & Exhibition Center Room 203

Ultrafast Molecular Sciences by Femtosecond Photons & Electrons: Symposium in honor of Ahmed Zewail M. Dantus, D. Zhong, Organizers, Presiding 1:30 Introductory Remarks. 1:35 PHYS 373. Can coherence enhance function in chemical and biophysical systems? G.D. Scholes 2:15 PHYS 374. Coupling of multi-vibrational modes in bacteriochlorophyll a in solution observed with 2d electronic spectroscopy. W. Yuxiang 2:50 PHYS 375. Non-canonical photocycle initiation dynamics of the photoactive yellow protein: Shunting, skipping, and not following the rules. D.S. Larsen, L.T. Mix, J. Riggs, M. Hara, I. van Stokkum, D. Morozov, G. Groenhof, W. Hoff 3:25 Intermission. 3:40 PHYS 376. Ultrafast dynamics in amyloid fibrils. F. Gai 4:20 PHYS 377. Protonated water clusters in acetonitrile (n=1 to bulk water) using the CN stretch vibration as a spectator: Central role of the Zundel cation in the mechanism of proton transport in bulk-water. E. Kozari, N. Kalish, D. Pines, E. Pines 4:55 PHYS 378. Two-dimensional infrared spectroscopy of photoactive proteins and conjugated carbon sheets. J. Wang

Computational Photocatalysis: Modeling of Photophysics & Photochemistry at Interfaces Sponsored by COMP, Cosponsored by PHYS

Molecular Interactions of Synthetic Nanoparticles with Membranes Sponsored by ANYL, Cosponsored by COLL and PHYS

WEDNESDAY EVENING SECTION A Boston Convention & Exhibition Center Exhibit Hall B2/C

PHYS Poster Session M. A. Duncan, Organizer 6:00 – 8:00 PHYS 379. X-Ray photoelectron spectroscopy preliminary studies on hexafluoroantimonate (V)-based ionic liquids containing rare earth triflates. L.S. Longo Jr, P. Licence PHYS 380. Dynamics of carbon dioxide bound to MIL-53(Al) and PMMA studied via 2D-IR spectroscopy. C.G. Pyles, A.M. Massari PHYS 381. Ultrafast spectroscopy of vibrational polaritons: Dynamics and photonics. A.D. Dunkelberger, A.B. Grafton, K. Fears, R.B. Davidson, W. Ahn, B. Simpkins, J. Owrutsky PHYS 382. Photoprotective properties of a eumelanin building block: Ultrafast excited state relaxation dynamics in indole. S. Ullrich, T. Godfrey, M. Biddle, H. Yu PHYS 383. Mapping the Rydberg state potential energy curves of methyl iodide using ultrafast time-resolved photoelectron spectroscopy. B.M. Stankus, H. Hao, C. Huang, B.M. Rubenstein, P.M. Weber PHYS 384. Internal conversion and intersystem crossing pathways in UV excited uracils and their implications in prebiotic chemistry. S. Ullrich, A. Mohamadzade PHYS 385. Solvent effects on excitation and electron transfer efficiency in the carboxylic anchoring dye-TiO2 system. H. Fang, D.L. Kuhn, Z. Zander, B.G. DeLacy, J. Chen, Y. Rao, H. Dai PHYS 386. Probing the high-excited states dynamics in the methyl azide molecule: A joint experimental-theoretical study. B. Mignolet, W.K. Peters, D.E. Couch, R.C. Fortenberry, X. Shi, H.B. Schlegel, H. Kapteyn, M.M. Murnane, W. Li PHYS 387. Carbonic acid can protonate biological bases. D. Aminov, D. Pines, P.M. Kiefer, S. Daschakraborty, J.T. Hynes, E. Pines PHYS 388. A time-dependent view of an isotope effect in the coherent excitation of N2 by an attosecond pulse. K.G. Komarova PHYS 389. Metallation modulates the properties of Curcumin: An ultrafast dynamics overview. D. Bagchi, S. Pal PHYS 390. Ultrafast pump-probe and two-dimensional electronic spectroscopic studies of BODIPY chromophores. Y. Lee, S. Das, R.M. Malamakal, S. Meloni, D.M. Chenoweth, J.M. Anna PHYS 391. Observation of excimer states with nanosecond lifetimes in stacked adenine model dimers connected by alkyl linkers. M. Bohnsack, U.C. Stange, F.D. Sönnichsen, F. Temps

PHYS 421. Short-range electron transfer in reduced flavodoxin: Ultrafast nonequilibrium dynamics coupled with protein fluctuations. M. Kunda, D. Zhong PHYS 422. Signatures of vibrationally assisted exciton dynamics in two dimensional electronic spectroscopy simulations. J.A. Provazza, D. co*ker PHYS 423. Isolation and characterization of gold nanoparticle surface stabilizing species. H. Morales, A. Cirra, C. Kmiotek, C.J. Johnson PHYS 424. Numerical studies of a generalized quantum Fokker-Plank equation. T.M. Ture, S.J. Jang PHYS 425. Charge tunneling through intentionally conformationally disordered self-assembled monolayers. L. Belding, M. Baghbanzadeh, L. Yuan, S. Oyola-Reynoso, E.M. Rojas, P. Pieters, G.M. Whitesides PHYS 426. Quantifying the effect of polymer films on localized surface plasmon resonance of gold nanoparticles with hyperspectral imaging. T. Leibig, C.C. Flatebo, C.F. Landes, S. Collins PHYS 427. Effect of salt concentration on the condensation of DNA by positively charged nanoparticles. J. Song, S. Park, J. Kim PHYS 428. Solvent dependent amplified 2-photon cross sections in highly coupled thiophene-naphthalimide charge transfer complexes. C.J. Zeman, A.L. Jones, K.S. Schanze PHYS 429. Analysis of arsenic in aqueous media using absorption and fluorescence spectroscopy. M.T. Buthelezi, Y. Zhang, B. Tatematsu PHYS 430. Self-consistent internal calibration of x-ray scattering patterns from polarized radiation sources. N. Goff, B.M. Stankus, J.M. Ruddock, Y. Zhang, T.J. Lane, M. Liang, S. Boutet, S. Carbajo, J.S. Robinson, J.E. Koglin, A. Aquila, M.P. Minitti, P.M. Weber PHYS 431. Effect of dicationic bis(trifluoromethylsulfonyl) imide ionic liquids on hexagonal phase of a binary system composed of Triton-X 100 and water. L.T. Thieghi, L.S. Longo Jr, P. Licence, S. Alves PHYS 432. Regulation of EGFR signal transduction by dynamic receptor clustering. Q. Zhang PHYS 433. Simultaneous determination of equilibrium constants for cyclodextrin complexes with PAHs using steady-state fluorescence and parallel factor analysis. J.W. Chiarelli, V. Gomes, J.E. Kenny PHYS 434. Agglomeration dynamics of magnetic nanoparticles at low magnetic field gradient studied by monitoring temporal changes of magnetic weight. H. Kim PHYS 435. Development of effective stochastic potential method using random matrix theory for efficient conformational sampling of molecular quantum mechanical properties at non-zero temperatures. J. Scher, A. Chakraborty PHYS 436. Quantum control of nanoparticles at low temperature. Q. Wang PHYS 437. Surface plasmon enhanced luminescence of Zn/ ZnO nanotubes. H. Kim PHYS 438. Acetylene addition to vinyl and aryl radicals: Experimental investigation of HACA and PAH formation pathways. M. Smith, T. Chu, Z.J. Buras, G. Liu, W.H. Green PHYS 439. Formation and identification of borane radical anions isolated in solid argon. Y. Wu, M. Lin, T. Huang, C. Chin PHYS 440. Strong-field laser induced H2 roaming reactions and the formation of H3+ from organic molecules. N. Ekanayake, M. Nairat, M. Michie, N. Weingartz, B. Farris, T. Severt, P. Feizollah, B. Jochim, B. Kaderiya, F. Ziaee, K. Borne, K.R. Pandiri, K. Carnes, D. Rolles, A. Rudenko, I. Ben-Itzhak, B.G. Levine, J.E. Jackson, M. Dantus PHYS 441. All-atom structure-based model of RNA with explicit electrostatics and explicit treatment of mobile ions. A. Wang, M. Levi, U. Mohanty, P.C. Whitford PHYS 442. Self-assembly of liquid crystalline donor-acceptor molecule. J. Logsdon, M.R. Wasielewski PHYS 443. Plasmon-coupled resonance energy transfer: Permanent entangled states dynamics. K. Nasiri Avanaki PHYS 444. An ultrafast look at a thermally activated delayed fluorescence chromophore. R.J. Vazquez, T.G. Goodson PHYS 445. From single-molecule studies on chemical reactions to the development of sophisticated labels for bioimaging. F. Braun, D. Brox, A. Haderspeck, P. Werther, K. Yserentant, T. Cordes, R. Wombacher, D. Herten PHYS 446. Ultrafast spectroscopy of transparent photovoltaic cells. J. Lahiri, M. Nairat, M. Bates, R.R. Lunt, M. Dantus PHYS 447. Modulation of charge recombination in CsPbBr3 perovskite films with electrochemical bias. R. Scheidt, P.V. Kamat, G.F. Samu, C. Janaky

PHYS 448. Photothermally controlled release of ceftaroline fosamil using polydopamine-coated gold nanocages. B. Gattis, J. Chen PHYS 449. Utilizing ultrafast spectroscopy to investigate the dynamics of singlet fission. S. Doble, J.P. Avenoso, H. Yan, L. Purvis, C. Sutton, C.J. Douglas, L. Gundlach PHYS 450. Extreme ultraviolet photoemission dynamics of carriers at the surface of a Zn/n-GaP junction. B. Lamoureux, B. Marsh, S.R. Leone PHYS 451. Liquid-vapor phase separation at the adsorbing surface: A molecular dynamics simulation study. K. Kil, J. Kim PHYS 452. Closomer-PBA derivative for HIV virion capture. A.S. Alnafisah, F.S. Coulibaly, N.A. Oyler, B. Youan PHYS 453. High surface temperature measurements of methane activation on a nickel surfaces: Reactivity and the role of carbon dissolution. D. Tinney, E. Dombrowski, E. High, A. Utz PHYS 454. Spectroscopy with a handful of photons: Entangled two photon absorption of thienoacene molecules. A.V. Eshun, L. Yu, T.G. Goodson PHYS 455. Reactivity of sulfur anions with electronically excited molecular oxygen, O2 (a 1Δ). N. Eyet, Z. Wang, V.M. Bierbaum PHYS 456. Coherent energy transport measurement via nonlinear near field optical microscope interferometry in an organic solar cell. O. Varnavski, T. Kim, T.G. Goodson PHYS 457. Simulating redox potentials in aqueous solutions with explicit solvent models: The role of MM forcefields. M. Burrows, R. Tazhigulov, K.B. Bravaya PHYS 458. Molecular simulations of moveable carbon nanotube membrane for sea water desalination. S. Li, J. Yin PHYS 459. Determining rate constants for photogenerated carrier recombination in quantum dot thin films. D.B. Straus, T. Zhao, G. Liu, C.R. Kagan PHYS 460. High-resolution photoelectron imaging study of cryogenically-cooled fullerene anions: C59N–, (C59N)22–, H2O@ C60− and H2O@C59N−. G. Zhu, L. Wang PHYS 461. Point to point proton transfer in aqueous solutions. D. Pines, H. Rozler, E. Pines PHYS 462. Photophysical study of ruthenium (II) tris (1,10-phenanthroline) encapsulated in zirconium based Uio66 and derivatives. J. Mayers, R.W. Larsen PHYS 463. Probing the electronic and vibrational structure of iridium doped boron clusters using high resolution photoelectron imaging. J.G. Czekner, L. Cheung, L. Wang PHYS 464. Excited state intermolecular proton transfer of a “super” photobase. M. Nairat, W. Sheng, P.D. Pawlaczyk, E. Mroczka, B. Farris, E. Pines, J. Geiger, B. Borhan, M. Dantus PHYS 465. Low-frequency vibrations of tartaric acid cocrystals. M.P. Davis, T.M. Korter PHYS 466. Super-molecules of the future: Porphyrin polymers for old applications. A. Albalawi PHYS 467. A machine learning based approach to rate estimation. M. Johnson, W.H. Green PHYS 468. Energy transfer pathways of cyanobacterial photosystem I complexes revealed through two-dimensional electronic spectroscopy. Y. Lee, M. Gorka, J. Golbeck, J.M. Anna PHYS 469. Interpreting the low-frequency vibrational fingerprints of crystalline pigments. E.M. Kleist, T.M. Korter PHYS 470. Ion imaging studies of the photodissociation of OCS near 214 nm. C. Wallace, C.E. Gunthardt, S.W. North PHYS 471. Quantum chemical extrapolation scheme to calculate potential energy of OH stretching in water. M. Yang PHYS 472. Excitonic processes in diketopyrrolopryrrole derivatives. S. Bradley, M. Chi, K. Ghiggino, T.A. Smith, J. White PHYS 473. Crystalline molecular standards for lowfrequency vibrational spectroscopies. S.J. Dampf, T.M. Korter PHYS 474. Water reactivity of molybdenum sulfide cluster anions. J. Topolski, K. Nickson, C. Jarrold PHYS 475. Effects of radiation in slurry systems containing aluminum (oxy)hydroxides. P.L. Huestis, J.A. Kaddissy, J.A. Laverne PHYS 476. Temperature effects in the radiolysis of boehmite. J. Kaddissy, P.L. Huestis, J.A. Laverne PHYS 477. Steady state and time-resolved mid-IR spectroscopy explicates emergent properties of host-guest complexes. R. Gera, S. Meloni, A. Hoffnagle, J.M. Anna PHYS 478. A new method to create microscopic gold patterns by combining the photoreduction of Au(III) and the electrodeposition of Au(I). C. Sirkoch, M. Murphy, C.N. Lafratta

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TECHNICAL PROGRAM

PHYS 392. Ultrafast gold nanorod welding mechanisms: Fabricating high aspect ratio nanorods. P. Johns, R. Suess, J. Naciri, N.A. Charipar, J. Fontana PHYS 393. First-principles study of the temperature dependence of energy gaps in high-temperature gas sensor materials. Y. Wu, W. Al-Saidi, P. Ohodnicki, B. Chorpening, Y. Duan PHYS 394. Anomalous fragmentation of water clusters: Theoretical study using two complementary procedures. T. Raz - Nahum, Y. Hassin, T. Itzhak PHYS 395. Stoichiometric B13C2: Structural stability and mechanism of compression up to 68 GPa. I. Chuvashova, E. Bykova, M. Bykov, V. Svitlyk, L. Dubrovinsky, N. Dubrovinskaia PHYS 396. ‘Molecular anvlils’ for stercially controlled mechanochemistry under hydrostatic pressure. H. Yan, P.R. Schreiner, W.L. Mao, Z. Shen, N.A. Melosh PHYS 397. Solute-solvent interactions of small anions in a variety of solvents. A.B. Grafton, A.D. Dunkelberger, K. Fears, R.B. Davidson, W.J. Dressick, B. Simpkins, J. Owrutsky PHYS 398. Following the nucleation pathway of gyroid. M. Marriott, L. Lupi, A. Kumar, V. Molinero PHYS 399. Theoretical studies of PAHs’ energetic processing: Isomerisation and dissociation. A. Simon, M. Rapacioli PHYS 400. Ratchet mechanisms for directional charge transport in molecular structures. J. Valdiviezo, P. Zhang, D.N. Beratan PHYS 401. ORR activity prediction of molecular catalysts. S. Chen, J. Chen, Y. Chen PHYS 402. On the origin of capacitance of colloidal quantum dot. H. Liu, C.K. Brozek, D.R. Gamelin, X. Li PHYS 403. Superstructural aggregation behavior of cyanine dyes in aqueous solution. W. Bricker, J. Banal, M. Stone, M. Bathe PHYS 404. Structural tuning of quantum entanglement in the peridinin–chlorophyll protein. R.W. Tilluck, J.D. Roscioli, S. Ghosh, A.M. LaFountain, H.A. Frank, W.F. Beck PHYS 405. Stereocontrolled photoinduced electron transfer in metal-fullerene hybrids. A.J. Stasyuk, N. Martin, M. Solà, A.A. Voityuk PHYS 406. Energy disorder and transport in C8S3 J-aggregates. N. Klein, T. Sinclair, J.R. Caram, M.G. Bawendi PHYS 407. Following excitonic pathways in cyanobacteria by 2D electronic spectroscopy. S.C. Massey, S.H. Hess Sohail, J.S. Higgins, H. Andrew, N. Cleland, J. Otto, C. Hunter, G.S. Engel PHYS 408. SERS based and paper analytical devices (PADs) method in detecting some illicit drugs. G. Merga PHYS 409. Characterization and manipulation of vibrational wavepacket motion on the potential energy surface of spin-Peierls melting using femtosecond stimulated Raman spectroscopy. C. Rich, R.R. Frontiera PHYS 410. Mapping the response of ultrafast energy pathways to changing light conditions in living cyanobacteria using 2D electronic spectroscopy. S.H. Hess Sohail, S.C. Massey, J.S. Higgins, N. Cleland, J. Otto, G.S. Engel PHYS 411. Probing ultrafast energy cascading kinetics in Ruddlesden-Popper perovskites. A. Iqbal PHYS 412. Generalized classification of excitonic molecular aggregates based on T-dependent spectral line shapes and their long-wavelength scaling properties. C. Chuang, J. Cao PHYS 413. Towards high performance large-area luminescent solar concentrators. B. Zhang, W.W. Wong, J.J. David, K. Ghiggino PHYS 414. Exciton dynamics in atomically thin colloidal halide perovskite nanoplatelets. M. Ashner, S. Ha, W.A. Tisdale PHYS 415. Excitons modeling in CdSe quantum dot dimers and arrays: toward ultrafast coherent information processing. H. Gattuso, B. Fresch, F. Remacle PHYS 416. Energetics and couplings in oligoacenebased singlet fission: Efficient and accurate density functional theory tells the story. Z. Lin, H. Iwasaki, H. Ye, T.A. Van Voorhis PHYS 417. Can TDDFT describe the excited electronic states of naphthol photoacids? A. Acharya, S. Chaudhuri, V.S. Batista PHYS 418. Computational study of charge hopping dynamics in disordered quantum environments. N. Chen, S.J. Jang PHYS 419. New anthracene derivatives towards air stable solid-state triplet-triplet annihilation upconversion. C. Gao, T.W. Schmidt, T.A. Smith, W.W. Wong PHYS 420. High-resolution supersonic jet spectroscopy of interstellar PAHs and PAH-related analogs: Astronomical applications. S. Bejaoui, F. Salama

TECHNICAL PROGRAM

PHYS PHYS 479. Monitoring catalysis of organohalide reactions with perovskite nanoparticle surfaces. E.G. Ripka, C.R. Deschene, M.M. Maye PHYS 480. Assessment of fragmentation strategies for large proteins using the multilayer molecules-in-molecules (MIM) approach. B. Thapa, D. Beckett, K. Raghavachari PHYS 481. Highly accurate ab initio dipole moment surface for water: Transitions extending into the ultraviolet. E.K. Conway, A. Kyuberis, O.L. Polyansky, J. Tennyson PHYS 482. Anion photoelectron imaging of alkoxy radical isomers. K.M. Patros, J.E. Mann, C. Jarrold PHYS 483. Shultz-Bisson-Wang (SBW) nonlinear interferometer: Measuring complex sum frequency generation (SFG) spectra. J.M. Marmolejos, P.J. Bisson, M.J. Shultz PHYS 484. Electronic structure and redox chemistry of heme centers in protein environments. E. Karnaukh, K.B. Bravaya, S.J. Elliott PHYS 485. Calculation of excitation energies in semiconductor nanoparticles using geminal-screened electron-hole interaction kernel. P. McLaughlin, M. Bayne, A. Chakraborty PHYS 486. Effect of temperature on excitonic properties in colloidal quantum dots. S.A. Ali, J. Scher, A. Chakraborty PHYS 487. Astrochemistry across bonds and rows: Theory and experiments on [H2C2O] and [H2C2S] isomers. K. Lee, M. Martin-Drumel, V. Lattanzi, B. McGuire, O. Pirali, J. Guillemin, M.C. McCarthy PHYS 488. Conformational ensembles of viral protein complexes from molecular dynamics and vibrational probe data. C. Fu, C.H. Londergan PHYS 489. Brilliant cresyl blue in tunable ionic liquid solvents: Comparison between experimental and TD-DFT spectra. J.C. Mohen, T.D. Vaden PHYS 490. Ultrafast transient absorption spectroscopy (TAS) with limited chirp and 10kHz camera repetition rate. J.P. Avenoso, H. Yan, B. Abraham, J. Nieto-Pescador, L. Gundlach PHYS 491. The nanocatalytic properties of ceria: Paving way to clean energy and hydrogen production. S. Martell, P. Huttunen, M.C. Foster PHYS 492. Weak intermolecular forces: Cyclophane monomers and dimers. Y. Zhang, C. Oberg, P. Abrahamsen, M.T. Buthelezi PHYS 493. Synthesis of luminescent TMDs: Effect of water (and chalcogen source) on structural and optical properties. T. Kuykendall, C. Chen, C. Kastl, S. Aloni, A. Schwartzberg PHYS 494. Thermodynamic properties of a LennardJones liquid from integral equation theory with enforced thermodynamic consistency. T. Tsednee, T. Luchko PHYS 495. Study of nonlinear thermo-optical properties of dicationic ionic liquids using the Z-Scan technique. S. Alves, K. Fudimura, L.S. Longo Jr, P. Licence PHYS 496. Density functional theory study of the point defect properties of γ-LiAlO2, Li2ZrO3, and Li2TiO3 materials. Y. Lee, J. Holber, H.P. Paudel, D. Sorescu, Y. Duan PHYS 497. Guest to framework photoinduced electron transfer in a cobalt substituted Kullek type metal organic framework. C. McKeithan, R.W. Larsen PHYS 498. Determining the presence of ligands on eutectic gallium-indium nanoparticles by Fournier-transform infrared spectroscopy. E.P. Wolff, Y. Thomas, M.C. Foster PHYS 499. Modeling soft colloids using stochastic hard collision dynamics. R.S. Singh, R. Hernandez PHYS 500. Benchmarking coarse-grained simulations of the nanoparticle-bilayer interface. G. Chong, A. Bautista, R. Hernandez PHYS 501. State-resolved measurements of methane dissociation on Ir(110) at different surface temperatures. S. Shepardson-Fungairiño, E. Peterson, E. Nicotera, E. Dombrowski, A. Utz PHYS 502. Elucidating the membrane diffusion dynamics of muscarinic-1 acetylcholine receptor (M1R) with quantum dots. D. Taylor PHYS 503. Search for the rotational spectrum of the β-cyanovinyl radical. S.L. Johansen, K.N. Crabtree PHYS 504. Long-range EGFR clustering: A hyperspectral plasmon coupling imaging study. S. Zhang, B.M. Reinhard PHYS 505. Impedance analysis for leaky membrane model with Butler-Volmer reaction kinetics in charged porous media. E. Khoo, J. Song, M.Z. Bazant PHYS 506. Photofragment ion imaging: Measuring the bond energetics and dissociation dynamics of diatomic metal cations. S. Lockwood, M.D. Johnston, R.B. Metz

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PHYS 507. Study of the interaction between titanium dioxide and azo-dyes (Bromothymol blue and Methyl red) at different pH values by using UV-Vis and Raman spectroscopy. H. Li, D. Graf Stillfried, M.C. Foster PHYS 508. Temperature-dependent hygroscopic behaviors of atmospherically relevant water-soluble carboxylic acid salts studied by ATR-FTIR spectroscopy. Y. Liu PHYS 509. Exploring design principles for artificial light harvesting using DNA-scaffolded molecular aggregates. W. Chen, J. Banal, T. Kondo, W. Bricker, M. Bathe, G. SchlauCohen PHYS 510. Conformational structures and vibrational spectroscopic investigation of isolated dityrosine and tryptophan-tyrosine dipeptides: A theoretical study. M.L. Mayes PHYS 511. Fluorescence and excited-state conformational dynamics of ketocarotenoids in the orange carotenoid protein. J. Gurchiek, H. Bao, M.A. Domínguez-Martín, S.E. McGovern, J.D. Roscioli, C. Kerfeld, W.F. Beck PHYS 512. Mechanisms and time-resolved dynamics for cyanine dyes. N. Talebloo PHYS 513. Specific dissociation of core-excited pyrimidine nucleobases. C. Liu PHYS 514. Light-induced reversible reactions in SPEEK/PVA films and solutions containing thionine. R. Dissanayaka, G.C. Mills

THURSDAY MORNING SECTION A Boston Convention & Exhibition Center Room 106

Characterization, Detection & Application of Excitons in Chemistry Singlet & Triplet Excitons: Computation C. J. Bardeen, S. J. Jang, Organizers S. Tretiak, Presiding 8:30 PHYS 515. The life cycle of triplet excitons. T.A. Van Voorhis 9:00 PHYS 516. Excitonic processes in porphyrin-based photon upconversion materials. K. Ghiggino, S. Novakovic, R. Steer, J. White, W.W. Wong 9:30 PHYS 517. Charge-transfer excitons and Frenkel excitons in linked pantacene dimers: Influences for singlet fission and triplet-triplet annihilations. C. Hsu 10:00 PHYS 518. Endothermic singlet fission is hindered by excimer formation. C.B. Dover, J.K. Gallaher, L. Frazer, P. Tapping, A.J. Petty, M.J. Crossley, J.E. Anthony, T.W. Kee, T.W. Schmidt 10:20 Intermission. 10:40 PHYS 519. Vibronic coherence in singlet fission: Results for crystalline tetracene from an ab initio exciton model. J. Herbert, A. Morrison, B. Alam 11:10 PHYS 520. Singlet fission in pentacene polymers. L. Yablon, S. Sanders, E. Kumarasamy, H. Li, X. Zhu, M. Sfeir, L.M. Campos 11:30 PHYS 521. Ultrafast exciton localization during excited-state dynamics of a tetracene trimer: Insight from surface hopping LC-TDDFTB dynamics. E. Titov, A. Humeniuk, R. Mitrić

SECTION B Boston Convention & Exhibition Center Room 257A

Chemical Applications of Ultrafast X-ray/XUV Spectroscopy & Scattering Photocatalysis & Photovoltaics Cosponsored by INOR R. van der Veen, J. Vura-Weis, P. Wernet, Organizers, Presiding 8:30 Introductory Remarks. 8:40 PHYS 522. Ultrafast electron dynamics in CuFeO2 solar photocathodes measured by XUV reflection-absorption spectroscopy. L. Baker, J. Husek, A. Cirri, S. Biswas, A.R. Asthagiri 9:25 PHYS 523. Hot-hole cooling in CH3NH3PbI3 perovskite probed via transient XUV spectroscopy. M.A. Verkamp, M. Lin, A. Sharma, J. Vura-Weis 9:45 PHYS 524. Femtosecond tracking of carrier relaxation in germanium with extreme ultraviolet transient reflectivity. C. Kaplan, P. Kraus, A. Ross, D.M. Neumark, S.R. Leone 10:05 Intermission. 10:25 PHYS 525. Tracking the electronic and structural configurations of water splitting catalysts for artificial photosynthesis. D. Moonshiram

10:45 PHYS 526. Exploring zeolitic imidazolate frameworks as intrinsic photocatalytic materials. J. Huang, B. Pattengale, S. Yang 11:30 PHYS 527. Effect of lattice oxidation on the surface electronic structure of NiO probed by ultrafast XUV reflection-absorption spectroscopy. S. Biswas, J. Husek, S. Londo, L. Baker 11:50 Concluding Remarks.

SECTION C Boston Convention & Exhibition Center Room 254B

Electrochemical Interfaces L. Meda, G. Yushin, Organizers O. Borodin, Organizer, Presiding K. Leung, Presiding 8:30 PHYS 528. Multiscale modeling of nanostructured electrodes and interfaces in Li-ion batteries. D. Bedrov 9:10 PHYS 529. Ionic liquids at electrified interfaces: From double layers to decomposition. J. Haskins, H. Yildirim, C. Bauschlicher, J. Lawson 9:50 PHYS 530. Ion correlations and surface forces in multivalent electrolytes. P. de Souza, R. Misra, M.Z. Bazant 10:10 PHYS 531. Revealing of double layer structure at EDLCs electrode/electrolyte interface. W. Tsai, J. Come, N. Balke 10:30 PHYS 532. Nanoarray electrodes for high-rate rechargeable Na and Zn ion batteries. D. Chao, G. Jia, H. Fan 10:50 Intermission. 11:05 PHYS 533. Population dynamics of driven reactive mixtures applied to Li-ion battery electrodes. H. Zhao, M.Z. Bazant 11:25 PHYS 534. Modeling irreversible capacity loss in carbon-black anodes. S. Das, P. Attia, W. Chueh, M.Z. Bazant 11:45 PHYS 535. Marcus type electron transfer between molecular dopants and pristine (n,m) single-walled carbon nanotubes at the solid-liquid interface. A.T. Liu, Y. Kunai, A. Cottrill, M. Strano 12:05 PHYS 536. Room temperature ionic liquids as spin glasses. A. Levy

SECTION D Boston Convention & Exhibition Center Room 160C

From Potential Energy Surfaces to Dynamics & Kinetics R. Dawes, A. Jasper, Organizers N. Dattani, R. T. Skodje, Presiding 8:30 PHYS 537. Calculating accurate spectra for the terrestrial and hot atmospheres. J. Tennyson 9:05 PHYS 538. Understanding the ‘odd’ behavior of the nascent O2 (a 1Δg, v = 0, 1) rotational distributions from the photodissociation of jet-cooled O3 in the Hartley band. M. Warter, C.E. Gunthardt, W. Wei, G.C. McBane, S.W. North 10:00 Intermission. 10:20 PHYS 539. Peptide fragmentation: From dynamics and kinetics to potential energy surfaces. P.B. Armentrout 10:55 PHYS 540. PAHs adsorbed on interstellar ice: Structures, energetics and IR spectra from a multi-method theoretical study. E. Michoulier, C. Toubin, A. Simon 11:15 PHYS 541. Adsorption and diffusion of atomic hydrogen on graphene, and molecular hydrogen formation via the Eley-Rideal and Langmuir-Hinshelwood mechanisms. G. Vidali, M. Karimi, C. LeBlond, J. Petucci, S. Semone 11:35 PHYS 542. Combining quantum chemistry with classical molecular dynamics for the theoretical study of radical reactivity at the surface of organic aerosols. C. Fotsing Kwetche, C. Toubin, D. Duflot

SECTION E Boston Convention & Exhibition Center Room 162A

Structural Photonics: Determining the Structural Influence on the Physical Properties of Photonic Materials 2D Semiconductors A. E. DePrince, K. L. Knappenberger, Organizers A. Schwartzberg, Organizer, Presiding T. Zhao, H. Zheng, Presiding 8:30 Introductory Remarks. 8:35 PHYS 543. Controlling the electronic properties of 2D semiconductors by the external environment. T. Heinz

SECTION F Boston Convention & Exhibition Center Room 154

9:15 PHYS 563. Intermolecular energy transfers. J. Zheng 9:50 PHYS 564. Probing vibronic couplings with twodimensional vibrational-electronic spectroscopy. M.H. Khalil 10:25 Intermission. 10:40 PHYS 565. Novel ultrafast terahertz spectroscopies. M. Bonn 11:20 PHYS 566. The many benefits of high-harmonic radiation. M. Vrakking 11:55 PHYS 567. Attosecond coherent control of a free-electron wave-function via semi-infinite light fields and plasmon polaritons. G. Vanacore, F. Carbone

Computational Photocatalysis: Modeling of Photophysics & Photochemistry at Interfaces Sponsored by COMP, Cosponsored by PHYS

THURSDAY AFTERNOON SECTION D Boston Convention & Exhibition Center Room 160C

Materials in Extreme Environments Extreme Chemistry of Planetary Interiors

From Potential Energy Surfaces to Dynamics & Kinetics

Cosponsored by COMP E. Zurek, Organizer A. Alexandrova, Organizer, Presiding 8:30 PHYS 550. Prediction of novel H2O-NaCl and carbon oxide compounds at extreme conditions. B. Militzer, R. Domingos 9:00 PHYS 551. Integrating first-principles theory and multiMbar shock experiments for understanding phase transitions at extreme conditions. T.R. Mattsson, S. Root, J.P. Townsend, L. Shulenburger 9:30 PHYS 552. Unusual chemistry in dense planetary mixtures. C. Yoo 10:00 Intermission. 10:15 PHYS 553. Hypervalent penta-coordinated silicon and metastable phase transitions in chain silicates at high pressure. P. Dera 10:45 PHYS 554. Formation of methane clathrate hydrates at elevated pressures and in the presence of nanoparticles. N.T. Skipper, D. Taylor, S. Cox, A. Michaelides, T.G. Youngs, A. Soper, T. Totton, R. Chapman, M. Hodges, M. Arjmandi 11:45 PHYS 555. Ionic ammonia-rich hydrates at planetary conditions. V. Naden Robinson, A. Hermann, Y. Ma, Y. Wang

R. Dawes, A. Jasper, Organizers, Presiding 1:30 PHYS 568. Elucidating dynamics and kinetics of singlet oxygen-induced guanine nucleoside oxidation using a combination of potential energy surfaces, kinetic modeling, molecular dynamics simulations and guided-ion-beam mass spectrometry. J. Liu, W. Lu, Y. Sun, W. Zhou 1:50 PHYS 569. Chaos at and away from the liquid-vapor critical point. M. Das, A.B. Costa, J.R. Green 2:10 PHYS 570. Molecular dynamics of combustion reactions in a supercritical environment: Boxed md study of reaction rates. C. Wang, S.V. Panteleev, A. Masunov, S.S. Vasu 2:30 PHYS 571. Predicting stable nano-titanosilicates for a wide range of compositions. A. Cuko, S. Bromley, M. Calatayud 2:50 Intermission. 3:10 PHYS 572. Combustion dynamics and kinetics from potential energy surfaces: The MReaDy approach. C. Mogo, J. Brandão, C. Rio, W. Wang 3:30 PHYS 573. Quantifying hydrogen bonding of phylloquinone through theoretical methods and mid-IR spectroscopies. S. Meloni, A. Hoffnagle, J.M. Anna 3:50 PHYS 574. Modeling of aromatics formation in fuel-rich methane oxy-combustion with an automatically generated pressure-dependent mechanism. T. Chu, Z.J. Buras, P. Oßwald, M. Liu, S. Gudiyella, W.H. Green 4:10 PHYS 575. Discovering unimolecular reaction pathways using an ensemble of automated reaction discovery methods. C. Grambow, A. Jamal, Y. Li, W.H. Green, J. Zádor, Y.V. Suleimanov

SECTION G Boston Convention & Exhibition Center Room 160B

New Spectroscopic Techniques for Astrochemistry Microwave & Millimeter-Wave Astrochemistry K. N. Crabtree, M. McCarthy, Organizers I. Gordon, Presiding 8:30 Introductory Remarks. 8:35 PHYS 556. New instrumental and synthetic developments in rotational spectroscopy: A focus on metal-bearing radicals. L.M. Ziurys, D.T. Halfen, M. Burton, J. Keogh, P.M. Sheridan 9:15 PHYS 557. Millimeter-wave spectroscopy of KO: Metal oxides relevant to astrochemistry. M. Burton, B. Russ, P.M. Sheridan, M.P. Bucchino, L.M. Ziurys 9:35 PHYS 558. Spectroscopic characterization of astrophysical isomers: The relatives of ketene. M. MartinDrumel, K. Lee, O. Pirali, J. Guillemin 9:55 Intermission. 10:25 PHYS 559. From weeds to dust: Astrochemical insights by rotational spectroscopy. A. Steber 11:05 PHYS 560. Tracing the origins of nitrogen bearing organics toward Orion KL with ALMA. B. Carroll, G.A. Blake 11:25 PHYS 561. From one to two dimensional interstellar carbon: A synthesis of laboratory, observations, and theory. B. McGuire, K. Lee, M.C. McCarthy

SECTION I Boston Convention & Exhibition Center Room 253C

Ultrafast Molecular Sciences by Femtosecond Photons & Electrons: Symposium in honor of Ahmed Zewail M. Dantus, D. Zhong, Organizers, Presiding 8:30 Introductory Remarks. 8:35 PHYS 562. Ultrafast spectroscopy of synchronized and correlated excited state motions in the presence of spectral diffusion. B. Rolczynski, H. Zheng, V. Singh, P. Navotnaya, A. Ginzburg, J.R. Caram, K. Ashraf, A. Gardiner, R. Cogdell, S. Yeh, S. Kais, G.S. Engel

SECTION E Boston Convention & Exhibition Center Room 162A

Structural Photonics: Determining the Structural Influence on the Physical Properties of Photonic Materials Semiconductor Solids & Molecular Assemblies

4:00 PHYS 581. Developing and classifying 2D supramolecular aggregates derived from polymethine dyes. J.R. Caram 4:20 PHYS 582. Bacteriorhodopsin based biological p-n junction. Y. Lv, D. Liang, S. Lu, J. Song, Y. Xiang

SECTION F Boston Convention & Exhibition Center Room 154

Materials in Extreme Environments Light Elements & Hydrides Cosponsored by COMP A. Alexandrova, E. Zurek, Organizers M. Miao, Presiding 1:30 PHYS 583. Metallic hydrogen and deuterium. I.F. Silvera 2:00 PHYS 584. Unstable, metastable and ground state structures of lithium metal. S. Deemyad 2:30 PHYS 585. Synthesis and stability of superhydrides of lanthanum, yttrium, calcium, sulfur and selenium at high pressure - high temperature conditions. M. Somayazulu 3:00 Intermission. 3:15 PHYS 586. Metastable hydrogenous materials made at high pressures. W.J. Nellis 3:45 PHYS 587. Theoretical predictions of unique hydride phases under pressure. E. Zurek

SECTION G Boston Convention & Exhibition Center Room 160B

New Spectroscopic Techniques for Astrochemistry Condensed-Phase Astrochemistry K. N. Crabtree, M. McCarthy, Organizers K. Oberg, Presiding 1:30 Introductory Remarks. 1:35 PHYS 588. Study of morphology, diffusion and ordering kinetics of CO2 and CO2/H2O thin film ices. G. Vidali, J. He, S. Emtiaz 2:15 PHYS 589. Some subtle problems of ice-phase astrochemistry and spectroscopy. R.L. Hudson, P. Gerakines 2:35 PHYS 590. Laboratory spectroscopy with a miniature mm-wave cavity spectrometer and coupled laser-ablation source. A. Raymond, B. Drouin, M. McCarthy, K. Lee, E. Mazur 2:55 Intermission. 3:25 PHYS 591. Submillimeter spectroscopy of sublimated interstellar ice analogs: A new technique for laboratory astrochemistry. P. Gerakines, S.L. Widicus Weaver, S.N. Milam, K. Yocum, H. Smith 4:05 PHYS 592. Spectroscopic measurements of radicals in outer Solar System ice analogs. E. Fayolle, P.V. Johnson, R. Hodyss, X. Zhang, S.P. Sander 4:25 PHYS 593. Ice chemistry laboratory apparatus with a tunable vacuum ultraviolet source for processing and detection. P. Maksiutenko, M. Rajappan, K. Oberg 4:45 Concluding Remarks.

Computational Photocatalysis: Modeling of Photophysics & Photochemistry at Interfaces Sponsored by COMP, Cosponsored by PHYS

A. E. DePrince, K. L. Knappenberger, A. Schwartzberg, Organizers S. Aloni, T. Zhao, H. Zheng, Presiding 1:30 Introductory Remarks. 1:35 PHYS 576. Photocatalysis of fuel-forming reactions enhanced by energy and charge funneling within colloidal assemblies. E.A. Weiss, S. Lian, M.S. Kodaimati, G.C. Schatz 2:10 PHYS 577. When a single structure is not sufficient: A random matrix theory approach to embedding noisy environment for calculating molecular quantum mechanical properties. J. Scher, A. Chakraborty 2:30 PHYS 578. High energy state relaxation pathways in PbS QDs through direct observation of the forbidden S-D intraband transition. E. Kennehan, G. Doucette, A. Marshall, M.C. Beard, J.B. Asbury 2:50 Intermission. 3:05 PHYS 579. Influence of structure on dynamics of excitons and charge carriers in functional nanoscale materials. J.B. Asbury 3:40 PHYS 580. Nanoscale transient electronic structure determination from variable-temperature variable-field magnetic circular photoluminescence (VTVH-MCPL) spectroscopy. P. Herbert, K.L. Knappenberger

223

TECHNICAL PROGRAM

9:10 PHYS 544. Correlative microscopy: A guide to effective quantum materials exploration. S. Aloni, C. Chen, C. Kastl, T. Kuykendall, B. Schuler, R. Koch, A. Schwartzberg 9:45 PHYS 545. Electronic and optical properties of (4,8) boron-group V nanosheets. P.A. Brown, K.L. Shuford 10:20 Intermission. 10:35 PHYS 546. 2D Semiconductors: From synthesis to photonic properties. J. Robinson 11:10 PHYS 547. Ultrafast carrier and spin dynamics in two-dimensional semiconductors. D. Stefano, Z. Wang, E. Pogna, P. Altmann, C. Trovatello, G. Soavi, A. Ferrari, G. Cerullo 11:45 PHYS 548. Ultrafast carrier dynamics of transition metal dichalcogenides probed at the nanoscale. Z. Loh 12:20 PHYS 549. Mask-directed lithography for nanopatterning of monolayer transition metal dichalcogenides. G. Han, J.C. Grossman

TECHNICAL PROGRAM

POLY

POLY

Division of Polymer Chemistry C. Lipscomb, T. Epps and B. Helms, Program Chairs OTHER SYMPOSIA OF INTEREST: Advanced Materials for Energy & the Environment: Design, Fabrication & Application (see ENVR, Tue, Wed, Thu) Dynamic Bonds for Structurally Precise Polymeric Materials (see PMSE, Sun, Mon) Materials, Devices, and Switches (see ORGN, Tue, Wed, Thu) Peptides, Proteins, & Amino Acids (see ORGN, Sun, Tue) Tough & Toughened Polymers (see PMSE, Sun, Mon) SOCIAL EVENTS: Industrial Advisory Board Breakfast, 7:30 AM: Tue Programming Luncheon, 12:00 PM: Tue POLY/PMSE Awards Reception, 5:30 PM: Wed BUSINESS MEETINGS: POLY Board Meeting, 12:00 PM: Sun

SUNDAY MORNING SECTION A Westin Boston Waterfront Carlton

Vitrimers & Other Covalent Adaptable Networks Synthesis/Chemistry C. Bowman, F. E. Du Prez, Organizers, Presiding 8:00 POLY 1. Polymeric frustrated Lewis pairs. M.P. Shaver 8:30 POLY 2. Structurally tailored and engineered macromolecular (STEM) gels. K. Matyjaszewski 9:00 POLY 3. Unconventional chemistries for vitrimers. J.S. Ishibashi, J.A. Kalow 9:20 POLY 4. Self-healing polyanhydrides through dynamic covalent exchange. K. Tillman, M. Lawton, A.M. Witkowski, P.T. Mather, D.A. Shipp 9:40 Intermission. 9:55 POLY 5. Novel malleable covalent network polymers and their applications in developing rehealable and fully recyclable functional composite materials. W. Zhang 10:25 POLY 6. Click-based covalent adaptable networks. C.J. Kloxin 10:55 POLY 7. Star hyperbranched polymers as precursors to vitrimers or dynamic covalent networks. G. Moad, N.R. Cameron, H. Aziz, T.L. Schiller, S. Gomez, R. Pfaendner, M. Stec 11:25 POLY 8. Development of a new covalent adaptable network through dynamic thiourethane bond. X. Han, Z. Wen, C. Bowman

SECTION B Westin Boston Waterfront Griffin

Polymer Science of Everyday Things D. Garcia, D. N. Haase, Organizers, Presiding 8:00 POLY 9. Synthesis of brush polypeptides. J. Cheng 8:40 POLY 10. Protein engineered biopolymers as biomaterials. J.K. Montclare 9:15 POLY 11. Advances in crosslinking enabling lots of new everyday things: From solvent-free adhesives and elastomers for construction to 3D printing automobile parts. T.E. Long, K.A. Heifferon, N.G. Moon, M. Chen, X. Chen 9:50 Intermission. 10:20 POLY 12. Isocyanate free coating and PET foaming: Polymer chemistry promoted by analytical sciences. Y. He, P. Foley, J. Argyropoulos, M. Porter, S. Costeux 10:55 POLY 13. Waterborne PDMS-containing polyurethane formulation for anti-smudge coatings and superhydrophobic textiles. S. Huang, G. Liu 11:30 POLY 14. New methacrylate composition for ultrahigh molecular weight poly(vinyl chloride) foam process aid. M. Petr, M. Kubik, S. LaRosa, W. Young

SECTION C Westin Boston Waterfront Commonwealth Ballroom C

224

TOSOH Lectures Interface of Polymer Science & Biology Cosponsored by PMSE J. Foster, Organizer E. B. Berda, M. A. Daniele, Organizers, Presiding 8:00 POLY 15. Injectable cryogel-based vaccine for breast cancer immunotherapy. S.A. Bencherif, D. Draganov, A. Li, S. Lewin, T.C. Colombani, T. Shih, C. Verbeke, A. Memic, G. Dranoff, D.J. Mooney 8:30 POLY 16. Polymer-bioconjugation as posttranslational modification for protein structure and function. D. Konkolewicz, T. Wright, K. Burridge, C. Kozuszek, N. Daman, H. Fischesser, J. Stewart, R.C. Page 9:00 POLY 17. Phase behavior of engineered protein sequences with polyelectrolytes. A. Obermeyer, C. Cummings, R. Kapelner, N. Zervoudis 9:30 POLY 18. Nucleic acid analogs via thiol-click reactions. C. Bowman 10:00 Intermission. 10:30 POLY 19. Trace element and isotope labels to study uptake and intracellular trafficking of polymer conjugates. H.A. Klok 11:00 POLY 20. Effect of minor sequence errors on the degradation behavior and properties of biodegradable periodic poly(α-hydroxy acid)s. J.A. Nowalk, T.Y. Meyer 11:30 POLY 21. Intelligent nanoscale polymer networks on epithelial cells: Surface and difusional effects. N. Peppas, J. Vela Ramirez, D. Spencer

SECTION D Westin Boston Waterfront Marina Ballroom III

Polymer Chemistry for Functional Materials A. Böker, F. Wiesbrock, Organizers G. N. Tew, Organizer, Presiding 8:00 Introductory Remarks. 8:10 POLY 22. Bottom-up assembly of stimuli responsive functional polymeric systems. D.A. Wilson 8:40 POLY 23. Preparation of multi-stimuli-responsive active colloids via RAFT polymerization-induced thermal selfassembly. I. Otsuka, X. Zhang, F.M. Winnik 8:55 POLY 24. Design of reducing environment-responsive gel capsules via miniemulsion periphery RAFT polymerization as drug delivery carrier. A. Kawamura, H. Nakaura, T. Miyata 9:10 POLY 25. On demand stiffening poly(ethylene glycol) (PEG) hydrogels via [4+4] photocycloaddition of anthracenes. K.A. Günay, K.S. Anseth 9:25 POLY 26. Dynamic microcapsules with reversibly trigger-responsive membranes. J. Werner, S. Nawar, Z. Wu, D.A. Weitz 9:40 POLY 27. Facially amphipathic glycopolymers to mimic the 3-D structure of antifreeze glycoproteins. B. Graham, M.I. Gibson 9:55 POLY 28. Enzyme-responsive charge-reversal polymer for enhanced anticancer drug delivery. Y. Shen, Q. Zhou 10:10 Intermission. 10:40 POLY 29. Sequence-defined polymer architectures: Need for multi-functionality and absolute precision. F.E. Du Prez, S. Martens 11:10 POLY 30. Facile synthesis of polystyrenepolyphenylsiloxane Janus nanoparticles and their use as intermediate for the synthesis of tailored plasmonic materials. P. Buskens, D. Mann, H. Keul, M. Moller, M. Verheijen, S. Voogt 11:25 POLY 31. Towards functional materials via macromolecular design using cross-coupling and alkylboranes. A.J. Magenau 11:40 POLY 32. Interfacial tetrazine ligation for the fabrication of cell-instructive matrices. K.T. Dicker, J. Song, J.M. Fox, X. Jia

SECTION E Westin Boston Waterfront Grand Ballroom C

General Topics: New Synthesis & Characterization of Polymers D. Garcia, Organizer S. K. Pomarico, M. Young, Presiding 8:00 POLY 33. New polymerization methodology of amino acids. Y. Tao 8:20 POLY 34. Iterative exponential growth of stereo- and sequence-controlled polymers. Y. Jiang, M. Golder, P. Teichen, H.V. Nguyen, W. Wang, N. Milos, J.C. Barnes, D. Ehrlich, J.A. Johnson

8:40 POLY 35. Directional building blocks provide curvature in poly(cyclohexasilane). E. Marro, E. Press, R.S. Klausen 9:00 POLY 36. Scaling up and down with metal-free ring-opening metathesis polymerization. A.J. Boydston, L.M. Pascual, V. Kensy, J. Goldstone 9:20 POLY 37. Functionalized helical poly(isocyanide)s and their use in covalent and supramolecular block copolymers. S.K. Pomarico, E. Elacqua, D. Lye, K. Manning, A. Croom, F. Morgia, L. Young, M. Weck 9:40 POLY 38. Cyclic[n]daisychains for mechanicallyinterlocked polymers and frameworks. K. Cai, J.F. Stoddart 10:00 POLY 39. Construction of covalent and supramolecular organic framework. Y. Shi 10:20 POLY 40. Synthesis of star-comb and linear-comb copolymers: Effect of chain topology on crystallization and degradation behaviors. X. Leng 10:40 POLY 41. Topochemical polymerizations of a novel covalent organic framework. E.S. O’Brien 11:00 POLY 42. Diversifying the backbone structures of IEG polymers. K. Qin, B. Qiao, Y. Jiang, J.A. Johnson 11:20 POLY 43. Study on a robust PET-RAFT polymerization catalyzed by carbon quantum dots (CDs). J. Jiang, Z. Wang, G. Ye, X. Huo, J. Chen 11:40 POLY 44. Scandium-catalyzed olefin polymerizations: Polar comonomer enchainment and nuclearity effects. J. Chen, T. Lohr, T.J. Marks

SECTION F Westin Boston Waterfront Otis

Polymers in Cultural Heritage A. Davis, E. O’Loughlin, Organizers, Presiding 8:00 Introductory Remarks. 8:05 POLY 45. Alkoxysilane sol-gel consolidants for calcareous stone. A. Rohly, J. Church, M. Striegel, D.C. Webster 8:30 POLY 46. Synthetic polymers used as adhesives for glass conservation. S.P. Koob 8:55 POLY 47. Accurate identification of degraded residues of proteinaceous adhesives in historic mural paintings in Kizil Grottos, Sinkiang, China by HPLC-MS/MS. Z. Zhu 9:45 Intermission. 10:05 POLY 48. How pigment/binder interactions affect single-sided NMR measurements of acrylic paints. T.K. Meldrum, M.T. Rooney 10:30 POLY 49. Permeability of PET by water, acetic acid, and formic acid: A study of the microenvironment of encapsulated documents. P.M. Mcguiggan, A.K. Hall, M. McGath

Porous Polymers Microporosity Sponsored by PMSE, Cosponsored by POLY

Synergistic Approaches to Lignocellulosic Biomass Research Sponsored by CELL, Cosponsored by CARB, ENVR and POLY

SUNDAY AFTERNOON SECTION A Westin Boston Waterfront Carlton

Vitrimers & Other Covalent Adaptable Networks New Methods C. Bowman, F. E. Du Prez, Organizers, Presiding 1:00 POLY 50. Internally catalysed covalent adaptable networks. F.E. Du Prez, M. Delahaye 1:30 POLY 51. Latent, long-lived reactive species in covalently cross-linked networks. T.F. Scott, A.W. Bingham, D. Ahn, S.R. Zavada 2:00 POLY 52. Tuning of the glass transition temperature of dicarboxylic acid-epoxy vitrimers by off-stoichiometric acid content. Q.A. Poutrel, F. Tournilhac, J.J. Blaker, C. Soutis, M. Gresil 2:20 POLY 53. Efficient shockwave energy dissipation in dynamic covalent PDMS rubber. C. Evans, B. Jing, J. Lee, N.R. Sottos 2:40 Intermission. 2:55 POLY 54. Identifying covalent bond breakage in materials under strain: Mechanochemistry without mechanophores. A.P. Goodwin 3:25 POLY 55. Dynamic covalent exchange in polyanhydrides. D.A. Shipp, K. Tillman, A.M. Witkowski, P.T. Mather, M. Lawton

SECTION B Westin Boston Waterfront Griffin

Polymer Science of Everyday Things D. Garcia, Organizer D. N. Haase, Organizer, Presiding S. C. Rukes, Presiding 1:00 POLY 58. An overview of emulsion polymerization technology for the preparation of industrially-relevant polymers for health, the home and smart living. D.N. Haase 1:40 POLY 59. Chemical and physical changes in a variety of contact lenses during the wastewater treatment processes. C. Rolsky, V. Kelkar, R.U. Halden 2:10 POLY 60. Using polymers to teach concepts in chemistry: A teacher workshop. S.C. Rukes 3:00 Intermission. 3:30 POLY 61. Connecting polymers to the health care industry: Multiple hands on activities. S.C. Rukes 4:30 POLY 62. Case study of polymer compatibility with ingredients in cosmetic products. K. Davies, E. Farrell, J. Soule, M. SobkowitzKline, D.K. Ryan

3:30 POLY 78. Harnessing click chemistry to diversify the functionality of anisotropic colloids. L. Bradley, D. Lee, K.J. Stebe 4:00 POLY 79. Combinatorial synthesis of functional polymers with complex architectures using thiol-Michael and aza-Michael chemistries. D. Love, D. Domaille, B. Fairbanks, D. Klug, C. Bowman 4:15 POLY 80. Fabrication of clickable nanogels from reactive copolymers: Novel nanocarriers for targeted therapy. L. Chambre, B. Aktan, A. Degirmenci, R. Sanyal, A. Sanyal 4:30 POLY 81. Synthetic hydrogels tailored for stabilization and sustainable release of agricultural and animal feed cargo. P. Panescu, J. Ko, H.D. Maynard 4:45 POLY 82. Realizing high refractive index materials from thiol-X polymers: A general synthetic strategy. M. Alim, S. Mavila, R.R. McLeod, C. Bowman

SECTION E Westin Boston Waterfront Grand Ballroom C

General Topics: New Synthesis & Characterization of Polymers

Westin Boston Waterfront Webster

D. Garcia, Organizer F. Horkay, S. Percec, Presiding 1:00 POLY 83. Development of oxidation-responsive polymers for targeting inflammation. E. Owens, S.G. Spain 1:20 POLY 84. Chemoenzymatic synthesis of telechelic polyalanine and its use as a reinforcing agent for silk materials. K. Tsuchiya 1:40 POLY 85. Synthesis of cell penetrating peptide containing α-aminoisobutylic acid using chemoenzymatic polymerization. Y. Miyagi, K. Tsuchiya, K. Numata 2:00 POLY 86. Synthesis of elastin mimicking polypeptide consisting of periodic di- and tri-peptide motifs by chemoenzymatic polymerization. P.G. Gudeangadi, K. Tsuchiya, K. Numata 2:20 POLY 87. ROMP-enabled combination cancer therapy—toward a single-carrier platform with precise ratio control, tunable therapeutic release, and specific targeting. H.V. Nguyen, A. Detappe, Y. Jiang, N. Gallagher, C. Mathieu, P. Ghoroghchian, I. Ghobrial, J.A. Johnson 2:40 POLY 88. Towards sequence-controlled antimicrobial polymers using PET-RAFT polymerization. P. Judzewitsch, E. Wong, C. Boyer 3:00 POLY 89. Synthesis of biologically active branched polysaccharide mimetics by ring-opening polymerization of a maltose-based β-lactam. R. Xiao, J. Zeng, M.W. Grinstaff 3:20 POLY 90. DNA grafted hyperbranched polymer as smart drug delivery system for target binding and photoresponsive drug release. L. Yang, H. Sun, W. Tan, B.S. Sumerlin 3:40 POLY 91. Cartilage dynamics and function. F. Horkay, P.J. Basser 4:00 POLY 92. Synthesis and characterization of selfassembling ABC triblock co-polypeptides. B. Barnes, L.M. Stein, D.A. Savin 4:20 POLY 93. A synthetic, enantiopure, and well-defined carbohydrate polymer with an amino sugar backbone. A. Balijepalli, M.W. Grinstaff 4:40 POLY 94. Synthesis, characterization and computational studies on sulfated poly-amido-saccharides. H. Caputo, J. McNeely, J.E. Straub, M.W. Grinstaff

Polymer Chemistry for Functional Materials

SECTION F

SECTION C Westin Boston Waterfront Commonwealth Ballroom C

TOSOH Lectures Interface of Polymer Science & Biology Cosponsored by PMSE J. Foster, Organizer E. B. Berda, M. A. Daniele, Organizers, Presiding 1:00 POLY 63. Amphiphilic methacrylate copolymers with anticancer activity. K. Kuroda 1:30 POLY 64. Photo-responsive polymeric nanoplexes for gene therapeutics delivery and wound healing applications. T.H. Epps, M.O. Sullivan 2:00 POLY 65. Polymer-protein composites from microfluidics to manufacturing human blood vessels. M.A. Daniele, A.T. Young, K. Rivera, P. Erb 2:30 POLY 66. Oxidatively robust polymers for implantable biomedical devices. M.A. Hillmyer 3:00 Intermission. 3:30 POLY 67. Integrin-targeting materials in regenerative medicine. E. Cosgriff-Hernandez, A. Post, P. Dhavalikar, T. Wilems, Z. Lan 4:00 POLY 68. Peptide-toyopearl adsorbents for removing CHO host cell proteins from cell culture supernatants. A. Lavoie, A. Di Fazio, K. Blackburn, R.G. Carbonell, S. Menegatti 4:30 POLY 69. Post-fabrication QAC-functionalized thermoplastic polyurethane for contact-killing catheter applications. M. Becker 5:00 POLY 70. Nano- and microfabricated hydrogels for regenerative engineering. A. Khademhosseini

SECTION D

A. Böker, G. N. Tew, Organizers F. Wiesbrock, Organizer, Presiding 1:00 POLY 71. Poly(vinylidene fluoride) based multiferroic composites. K. Loos 1:30 POLY 72. RAFT copolymerization of ionic monomers towards diverse functional materials. K.A. Cavicchi, G. Deng, J. Angel 1:45 POLY 73. Highly functionalizable polypyrrole phenylenes and polythiophene phenylenes: Synthesis and application in a range of biological applications. D. Barker, W. Chan, J. Travas-Sejdic 2:00 POLY 74. Hairy nanoparticles for lubrication. B. Zhao 2:15 POLY 75. Designing chemically inert metallopolyelectrolytes as anion-exchange membranes in alkaline fuel cells. C. Tang 2:30 POLY 76. Radical-type rainbow mechanochromic polymers. D. Aoki, K. Ishizuki, R. Goseki, H. Otsuka 2:45 POLY 77. Effect of surface interactions on the insulating properties of epoxy composites. P. Marx, A. Wanner, H. Jin, I. Tsekmes, J. Smit, W. Kern, F. Wiesbrock 3:00 Intermission.

Westin Boston Waterfront Otis

Polymers in Cultural Heritage A. Davis, E. O’Loughlin, Organizers, Presiding 1:00 Introductory Remarks. 1:05 POLY 95. Understanding our collection: A survey of plastics at the Harvard Art Museums. G. Rayner, M. Radford, E. LaDuc, A. Chang 1:30 POLY 96. Treatment and drying challenges in the conservation of waterlogged rubber gaskets and seals from the Civil War submarine H.L.Hunley. J. Rivera, S. Crette, L. Kasprzok 1:55 POLY 97. Thermal effects on the degradation and restoration of polyurethane-based magnetic media. A. Davis, E.B. Monroe, F.G. France 2:20 Intermission. 2:40 POLY 98. Extinct and endangered polymers in cultural heritage materials. E. O’Loughlin 3:05 POLY 99. Teaching polymer chemistry to art conservation graduate students. R. Ploeger

3:30 POLY 100. Investigation of a soluble nylon applied to Japanese sugito. G.A. Arbuckle-Keil, D. Byler, B.A. Price, F. Fischer, P.A. Olley, W. Kao

Porous Polymers Macroporosity Sponsored by PMSE, Cosponsored by POLY

Synergistic Approaches to Lignocellulosic Biomass Research Sponsored by CELL, Cosponsored by CARB, ENVR and POLY

SUNDAY EVENING Value-Added Derivatives from Agro-Based Raw Materials Sponsored by AGFD, Cosponsored by POLY

MONDAY MORNING SECTION A Westin Boston Waterfront Carlton

Industrial Polymer Scientist Award Symposium in honor of Qinghuang Lin C. Lipscomb, Organizer C. L. Soles, A. F. Yee, Presiding 8:00 Introductory Remarks. 8:10 POLY 101. Organic materials for energy storage. Z. Bao 8:40 POLY 102. Transport in confined polymer films: How chemically amplified photoresists at IBM spawned a decade of thin film transport research at NIST. C.L. Soles 9:10 POLY 103. Lyotropic liquid crystalline conjugated polymers with directed self-assembly and alignment capability for plastic electronics. J. Kim, B. Kim, K. Chung, D. Yang, J. Kim, G. Jang, J. Chung, E. Jeong, M. Kwon, B. Koo, S. Seo, M. Barlog, T. Lee, M. Al-Hashimi 9:40 Intermission. 10:00 POLY 104. Investigating antimicrobial properties of nanotextured surfaces for wound bandages against resistant infections. R. Rosenzweig, V.K. Ly, M. Marshal, S. Abbondante, K. Perinbam, E. Pearlman, A.F. Siryap*rn, A.F. Yee 10:30 POLY 105. Commercial aspects of ATRP. K. Matyjaszewski 11:00 POLY 106. Polymer fibrils, transport pathways and stretchable electronics. E. Reichmanis, G. Zhang, M. McBride 11:30 POLY 107. Industrial Polymer Research for Nanoelectronics. Q. Lin

SECTION B Westin Boston Waterfront Griffin

Vitrimers & Other Covalent Adaptable Networks Vitrimers C. Bowman, F. E. Du Prez, Organizers, Presiding 8:00 POLY 108. Ionic vitrimers through trans-N-alkylation covalent exchanges. M. Obadia, A. Jourdain, D. Montarnal, E. Drockenmuller 8:30 POLY 109. Formation of crosslinked networks through sintering of vitrimer nanoparticles. D. Montarnal, E. Bourgeat-Lami, T. Tran, E. Rawstron 9:00 POLY 110. Reprocessable rubbers from PDMS vitrimers. Y. Spiesschaert, L. Imbernon, F.E. Du Prez 9:20 POLY 111. Vitrimers can be dissolved into cyclic molecules via dynamic bond exchange. J. Wang, J.A. Johnson 9:40 Intermission. 9:55 POLY 112. Epoxy and polyester-based vitrimers and composites. F. Tournilhac 10:25 POLY 113. Transforming thermoplastics into vitrimers. R. Nicolay 10:55 POLY 114. Low Tg fluorinated vitrimers for high performance applications. M. Guerre, C. Taplan, F.E. Du Prez 11:15 POLY 115. Catalyst-free vitrimers from vinyl-derived polymers. J.J. Lessard, L.F. Garcia, C.P. Easterling, M.B. Sims, K.C. Bentz, S. Arencibia, D.A. Savin, B.S. Sumerlin

SECTION C Westin Boston Waterfront Commonwealth Ballroom C

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TECHNICAL PROGRAM

3:55 POLY 56. Strong, malleable, and recyclable thermosets via robust dynamic covalent. Z. Guan 4:25 POLY 57. ‘ABA’ hydrogels designed as active therapeutics agents and as therapeutic delivery scaffolds. A. Lee, Z. Voo, S. Gao, R. Ono, J. Hedrick, Y. Yang

TECHNICAL PROGRAM

POLY TOSOH Lectures Interface of Polymer Science & Biology Cosponsored by PMSE M. A. Daniele, J. Foster, Organizers E. B. Berda, Organizer, Presiding P. Besenius, Presiding 8:00 POLY 116. Developing materials for drug capture: An approach to removing chemotherapy agents from the bloodstream. M.D. Schulz, O. Wadsworth, S. Oyola-Reynoso, S. Hetts 8:20 POLY 117. Analysis and culture of cells at the interface between immiscible solutions of polymers. C.J. Luby, C. Mace 8:40 POLY 118. 3D printing of fully degradable materials. A.P. Dove 9:00 POLY 119. Amphiphilic silicones with broad-Spectrum anti-fouling behavior. M. Grunlan, B.K. Ngo 9:30 Intermission. 10:00 POLY 120. Transient hydrogels mediated by redoxresponsive supramolecular polymerization. D. Spitzer, L. Lucas Rodrigues, P. Besenius 10:30 POLY 121. Polymer-protein conjugates and proteinloaded polymersomes. C.A. Figg, B.S. Tucker, T. Kubo, R.N. Carmean, B.S. Sumerlin 11:00 POLY 122. Functional polymer nanostructures. R.K. OReilly

SECTION D Westin Boston Waterfront Marina Ballroom III

Polymer Chemistry for Functional Materials G. N. Tew, F. Wiesbrock, Organizers A. Böker, Organizer, Presiding 8:00 POLY 123. Light responsive soft nano-objects. S.A. Santer 8:30 POLY 124. Negative photochromic polymer conjugates. Z.A. Page, S. Ulrich, J.R. Hemmer, K. Clark, Y. Diaz, F. Stricker, N. Dolinski, O. Rifaie-Graham, N. Bruns, L. Boesel, C.J. Hawker, J. Read De Alaniz 8:45 POLY 125. Sustainable, photocurable acrylates based on natural phenolics for stereolithography 3D printing. R. Ding, Y. Du, R. Goncalves, L. Francis, T.M. Reineke 9:00 POLY 126. Stereoselective photoredox ring-opening polymerization to prepare functional polyesters. R. Tong 9:15 POLY 127. Organocatalyzed atom transfer radical polymerization for functional polymer design and production. B. Buss, G. Miyake 9:30 POLY 128. Combinatorial discovery of antimicrobial copolymers using ‘in-air’ photochemical RAFT polymerization. S. Richards, M.I. Gibson 9:45 POLY 129. Adjusted surfaces: Tailoring the isoelectric point via modification of ester-functionalized poly(2oxazoline)s. R. Hofmann, I. Mühlbacher, F. Wiesbrock 10:00 Intermission. 10:30 POLY 130. Reactivity-property relationships in photocontrolled polymer networks. J.A. Kalow 11:00 POLY 131. Utilizing the chemical toolbox for the synthesis of catechol-based polymers for the assembly of functional metal phenolic networks. S.L. Kristufek, J.J. Richardson, K. Reidy, J. Quinn, T. Davis, F. Caruso 11:15 POLY 132. Mechanics, structure, and fracture of super-soft tunable bottlebrush polymer networks prepared by ROMP. J.M. Sarapas, E. Chan, K. Beers 11:30 POLY 133. Novel polymer metal organic cage networks for applications in synthesis and drug delivery. N.J. Oldenhuis, J.A. Johnson 11:45 POLY 134. Optimizing anion exchange membrane properties using networks made from telechelic polymers. M. Kwasny, G.N. Tew, M.A. Hickner

SECTION E Westin Boston Waterfront Grand Ballroom C

General Topics: New Synthesis & Characterization of Polymers D. Garcia, Organizer J. Duhamel, A. Tonelli, Presiding 8:00 POLY 135. Thermal and mechanical properties of new high-sulfur-content copolymers of Bisphenol A. T. Thiounn, A.G. Tennyson, R.C. Smith 8:20 POLY 136. Characterization of crosslinked alkaliswellable terpolymers by FFF-MALS. Z. Li 8:40 POLY 137. Combined characterization of polymers and polymer formulations using multi-detector GPC and rheology. V. Shahi, M. Pothecary, J. Casola, C. Rohn

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9:00 POLY 138. Polymer microstructures and material properties: Relevant relations. A. Tonelli 9:20 POLY 139. Synthesis and characterization of ultra-high molecular weight hyperbranched polyglycerols. S. Abbina, A. Parambath, L. Takeuchi, J.N. Kizhakkedathu 9:40 POLY 140. Simultaneous real-time measurement of analyte partitioning and polymer brush conformation using whispering galley mode sensors. K.A. Serrano, S. Wetzler, L. Kisley, A. Stanton, N.W. Reed, P.V. Braun, R.C. Bailey 10:00 POLY 141. Temperature-dependent changes in the hydrogen bonded hard segment network and microphase morphology in a model polyurethane: Experimental and simulation studies. E. Yildirim, E. Yilgor, M. Yurtsever, I. Yilgor 10:20 POLY 142. Living additive manufacturing: Transformation of parent gels into diversely functionalized daughter gels made possible by visible light photoredox catalysis. Y. Gu, M. Chen, J.A. Johnson 10:40 POLY 143. Designing polymers to tune interfaces in 3D printing: From all-aromatic polyimides to poly(dimethyl siloxane) elastomers. J. Herzberger, P. Scott, J. Sirrine, N. Chartrain, V. Meenakshisundaram, C.B. Williams, T.E. Long 11:00 POLY 144. Pyrene excimer fluorescence yields the same structural and dynamic information on macromolecules as FRET but in a mathematically much simpler manner. J.L. Thoma, J. Duhamel 11:20 POLY 145. Connecting polymer chemical structures and their glass transition temperatures and dynamic fragilities: a conformational approach. J. Shen, S. Li, Y. Caydamli, A. Tonelli 11:40 POLY 146. Introduction of a new purification method for the removal of a contaminant in commercial PMMA by using urea and N,N’-dimethylurea. S. Li, J. Shen, A. Tonelli

SECTION F Westin Boston Waterfront Otis

Ionic Liquids in Polymer Science & Engineering: From Molecular Design to Energy & Beyond T. E. Long, D. Macerreyes, J. Yuan, Organizers K. M. Miller, Organizer, Presiding 8:00 Introductory Remarks. 8:10 POLY 147. Ionic liquids inspiring next generation ioncontaining polymers. T.E. Long, M. Chen, X. Chen, P. Scott 8:50 POLY 148. Porous ionic liquids: Challenges and opportunities. P. Li, J. Zhang, S.M. Mahurin, H. Luo, S. Dai 9:30 POLY 149. Poly(ionic liquid)/ionic liquid composites based on curable ionic liquid prepolymers for organic toxic industrial chemical hazard mitigation. D.L. Gin, D.I. Mori, R.D. Noble 10:10 Intermission. 10:40 POLY 150. Functional ion gels. T.P. Lodge 11:20 POLY 151. Ionic liquid platform for electrospinning biopolymers. R.D. Rogers

Porous Polymers Mesoporosity Sponsored by PMSE, Cosponsored by POLY

Rational Design of Multifunctional RenewableResourced Materials CNC/CNF Nanocellulose Composites Sponsored by CELL, Cosponsored by CARB, ENVR and POLY

Structure & Assembly of Food Biopolymers Sponsored by AGFD, Cosponsored by POLY

Surface, Interface & Coating Materials Synthesis & Fabrication Sponsored by PMSE, Cosponsored by COLL and POLY

MONDAY AFTERNOON SECTION A Westin Boston Waterfront Carlton

Vitrimers & Other Covalent Adaptable Networks Light Induced & Other Activated Dynamic Chemistry C. Bowman, F. E. Du Prez, Organizers, Presiding 1:00 POLY 152. Design and synthesis of adaptive dynamic covalent polymers. S.J. Rowan 1:30 POLY 153. Photoinitiated thioester-containing polymer networks: Bistable, photoinduced (de)activation of dynamic covalent chemistry and fluid-solid transitions. C. Bowman

2:00 POLY 154. Reprocessable polyhydroxyurethane network composites: Effect of filler surface functionality on reprocessability and stress relaxation behavior. X. Chen, L. Li, J.M. Torkelson 2:20 POLY 155. Healing properties in hybrid polymers: impact of the metal-ligand bonds’ strength. A. Duhamel, G. Penvern, N. Donnat, P. Bonnardel, J. Joseph, L. Nicole, L. Rozes 2:40 Intermission. 2:55 POLY 156. Switching polymer network topology with light. Y. Gu, E.A. Alt, H. Wang, X. Li, A. Willard, J.A. Johnson 3:25 POLY 157. Viscoelastic hydrogels based on boronate esters for understanding cell-matrix signaling. S. Tang, H. Ma, P. Lin, K.S. Anseth 3:55 POLY 158. Externally activated thiol-Michael chemistry for stable yet adaptable networks. D. Konkolewicz, C. Progyateg, B. Zhang, J. Ke, Z. Digby, M. Shulman, J. Via, J. Sparks 4:25 POLY 159. Photo-controlled growth of crosslinked nano-networks. M.W. Lampley, E. Harth

SECTION B Westin Boston Waterfront Griffin

Industrial Innovations in Polymer Science Financially supported by POLY Industrial Advisory Board M. O. Hunt, C. Lipscomb, Organizers S. A. Eastman, Presiding 2:00 POLY 160. Understanding structure and property of PAEK polymers and their application in Additive Manufacturing processes. M. Garcia 2:30 POLY 161. High throughput screening and design of experiments: How to obtain predictive models for thermoplastic blends and compounds. G. Maier 3:00 Intermission. 3:30 POLY 162. Polymeric hands at work: Design tools in the synthesis of multifunctional nanomaterials. R. Sivarajan, E. Jackson, J. Jaddou, M. Ricci, H. Richter, C. Treacy, X. Xue 4:00 POLY 163. Understanding CNT-polymer composites on a molecular level. A.E. Hart 4:30 POLY 164. Polymeric material considerations for electrocaloric-based thermal management. S.A. Eastman, J. Mantese, W. Xie, R. Annapragada, H. Pan, M.J. Sobkowicz

SECTION C Westin Boston Waterfront Commonwealth Ballroom C

TOSOH Lectures Nanocomposites & Nanostructured Materials Cosponsored by PMSE E. B. Berda, J. Foster, Organizers M. A. Daniele, Organizer, Presiding E. Pentzer, Presiding 1:00 POLY 165. Using the assembly of 2D particles at fluid-fluid interfaces to architect composite materials. Q. Luo, P. Wei, E. Pentzer 1:30 POLY 166. Structure of soft nanoparticles in solvents and melts: Correlation of nanoparticle structure to nanocomposite dynamics. H. Martin, T. Saito, M.D. Dadmun 2:00 POLY 167. Crystallization of polyamide 11/cellulose nanocrystalline composites across a broad range of supercooling. A.M. Rhoades, A.M. Gohn, P. Venkatraman, J. Foster 2:30 POLY 168. Nanobrick wall nanocomposites with super gas barrier properties. J.C. Grunlan, Y. Song, T. Guin, D. Hagen, S. Qin 3:00 Intermission. 3:30 POLY 169. Thin-film structures based on graphene oxide–models for the ideal polymer-graphene oxide nanocomposites. S.T. Nguyen 4:00 POLY 170. Dynamic emission tuning of X-ray radioluminescent dye-doped crystalline colloidal arrays. M.K. Burdette, I. Bandera, S.H. Foulger 4:30 POLY 171. Network expansion and the effect on the macromolecular structure. E. Harth 5:00 POLY 172. Bio-inspired nanocomposites. S.J. Rowan

SECTION D Westin Boston Waterfront Marina Ballroom III

Polymer Chemistry for Functional Materials A. Böker, G. N. Tew, F. Wiesbrock, Organizers S. A. Santer, Presiding 1:00 POLY 173. Polymer science for an overall study of micro and nanoplastic hazards: Sources, fate and effects. S. Reynaud, B. Grassl, H. El-Hadri, J. Gigault

SECTION E Westin Boston Waterfront Grand Ballroom C

Block Polymer Synthesis & Nanoscale Self-Assembly N. Balsara, N. A. Lynd, G. Stein, C. G. Willson, Organizers J. Qin, Presiding 1:00 Introductory Remarks. 1:05 POLY 184. Phase behavior of mixtures of block copolymers and a lithium salt. N.P. Balsara 1:30 POLY 185. Controlling the dynamics of self-assembling cyclic peptide-polymer nanotubes. J. Rho, S. Perrier 1:50 POLY 186. Secondary structure-driven self-assembly of reactive polypept(o)ides for cross-linked polymeric micelles with defined core polarity and function. T.A. Bauer, K. Klinker, O. Schäfer, M. Barz 2:10 POLY 187. Stimuli-responsive nanoassemblies from metallo-supramolecular coordination polymers. T. Elkin, S.M. Copp, G.A. Montano, J.S. Martinez, R.C. Rocha 2:30 POLY 188. Solvation and dilution regimes in morphological behaviors of ion-doped block copolymers. J. Qin 3:00 Intermission. 3:30 POLY 189. Ionic and non-spherical diblock copolymer nano-objects in non-polar solvents. G. Smith, S.L. Canning, S.P. Armes 3:50 POLY 190. Magnetic sugar-based nanocomposites for environmental remediation. M. Dong, L. Su, J.A. Flores, H. Wang, Y. Song, Y. Chen, K.L. Wooley 4:10 POLY 191. Chemorheology of polymerization in nano-confined structures of self-assembled block copolymers. S. Qavi, A. Bandegi, R. Foudazi 4:30 POLY 192. Electron- and ion-conducting block copolymers as binders for battery cathodes. J.L. Lutkenhaus

SECTION F Westin Boston Waterfront Otis

Ionic Liquids in Polymer Science & Engineering: From Molecular Design to Energy & Beyond D. Macerreyes, K. M. Miller, J. Yuan, Organizers T. E. Long, Organizer, Presiding 1:00 POLY 193. The design and synthesis of ultra-high performance ionenes and their interactions with ionic liquids. J.E. Bara, K.E. O’Harra, G.P. Dennis, M.M. Durbin, H. Turner, E.M. Jackson 1:35 POLY 194. Influence of pendant alkyl chain on the conductive and gas permeability properties of thiol-ene poly(ionic liquid) networks. K.M. Miller 2:10 POLY 195. Saturated N-heterocyclic cationic multiblock polymers as solid-state separators in alkaline fuel cells and lithium ion batteries. Y.A. Elabd, K.M. Meek, R. Sun, M. Hwang, T. Chen, C.L. Willis 2:45 Intermission. 3:15 POLY 196. Advanced materials based on polymers and ionic liquids. M. Watanabe

3:50 POLY 197. The role of multivalent ions on the mechanics and ionic conductivity of metal-ligand coordinating PILs. R.A. Segalman 4:25 POLY 198. Redox responsive polyionic liquids and their hydrogels with transition metals: Molecular design and applications as “smart” materials. G. Vancso, K. Zhang, M.A. Hempenius

Porous Polymers Microporosity Sponsored by PMSE, Cosponsored by POLY

Rational Design of Multifunctional RenewableResourced Materials Synthesis of Renewable Materials Sponsored by CELL, Cosponsored by CARB, ENVR and POLY

Structure & Assembly of Food Biopolymers Sponsored by AGFD, Cosponsored by POLY

Undergraduate Research Posters Polymer Chemistry Sponsored by CHED, Cosponsored by PMSE, POLY and SOCED

Surface, Interface & Coating Materials Theory, Simulation & Mechanism Study Sponsored by PMSE, Cosponsored by COLL and POLY

TUESDAY MORNING SECTION A Westin Boston Waterfront Carlton

Vitrimers & Other Covalent Adaptable Networks Applications C. Bowman, F. E. Du Prez, Organizers, Presiding 8:00 POLY 199. Stress relaxation in urethane-containing polymer networks. W.R. Dichtel, J.P. Brutman, D.J. Fortman, G. De Hoe, M.A. Hillmyer 8:30 POLY 200. Imine-linked vitrimers applied to lightweight advanced composites. P.J. Taynton 9:00 POLY 201. Semi-crystalline vitrimers via solid state polymerization. J.P. Heuts, Y. Zhou, R.P. Sijbesma, H. Goossens 9:30 POLY 202. Poly(butylene terephthalate) (PBT)-based vitrimers: Industrial view. H. Goossens 10:00 Intermission. 10:15 POLY 203. Thermadapt shape memory hybrid materials with healing properties. M. Jannot, S. Delalande, F. Szmytka, L. Rozes 10:45 POLY 204. Dynamically crosslinked shape memory polymer network. T. Xie 11:15 POLY 205. Dynamic polymer networks and network composites: Reprocessing leading to full property recovery associated with cross-link density for models of rubber tires and non-isocyanate polyurethane networks and a quantitative approach to suppress creep in vitrimers. J.M. Torkelson, L. Li, K. JIn, X. Chen 11:45 POLY 206. Hybrid materials: A concept for healing networks. A. Tonnelier, S. Delalande, R. Perrin, L. Nicole, L. Rozes

SECTION B Westin Boston Waterfront Griffin

Polymers for Defense Applications J. A. Orlicki, J. H. Wynne, Organizers S. T. Iacono, R. H. Lambeth, Organizers, Presiding 8:00 Introductory Remarks. 8:05 POLY 207. Advancement of bio-based polymers and composites for military applications: Pushing the envelope via strategic assemblies of xylochemicals. J.F. Stanzione, G.R. Palmese, J.M. Sadler, J. La Scala 8:30 POLY 208. Dielectric properties of bio-based diphenolate ester epoxies. M. McMaster, T. Yilmaz, A. Patel, A. Maiorana, I. Manas-Zloczower, R.A. Gross, K.D. Singer 8:55 POLY 209. Advances in efficient strategies towards high use temperature polymers and networks from fluoroalkenes. C.A. Corley, A.R. Jennings, S.T. Iacono 9:20 POLY 210. Novel dynamic covalent polymer networks and their functional composites with rehealability and full recyclability. W. Zhang 9:45 POLY 211. Cross-linked polymer networks that selectively and controllably disassemble on-demand via cascading bond cleavage. G.C. Daniels, E. Camerino, J.H. Wynne, E.B. Iezzi

10:05 Intermission. 10:30 POLY 212. Rate dependent mechanics of crosslinked polymer networks. J. Lenhart 10:55 POLY 213. Polynapthalene networks and semifluorinated aromatic ether polymers and for advanced composites. G. Narayanan, A. Sygula, D.W. Smith 11:20 POLY 214. Bridging the vast mismatch in the time scale of atomistic simulations and experiment for cross-linked epoxy using time-temperature superposition. K.S. Khare, F.R. Phelan 11:40 POLY 215. Specific energy absorption of freestanding glassy hom*opolymer and hom*opolymer grafted nanoparticle thin films at extreme strain rates. J. Hyon, E.L. Thomas, J. Streit, R.A. Vaia

SECTION C Westin Boston Waterfront Commonwealth Ballroom C

TOSOH Lectures Nanostructured Polymers Cosponsored by PMSE M. A. Daniele, J. Foster, Organizers E. B. Berda, Organizer, Presiding R. S. Klausen, M. M. Thuo, Presiding 8:00 POLY 216. Characterization of polyolefins with precise control of branch frequency and branch length. S.V. Orski, W. Farrell, K. Beers 8:30 POLY 217. Using the higher moments of a polymer’s molecular weight distribution to tune properties. B.P. Fors 9:00 POLY 218. Novel strategy for radical ring-opening polymerization of strainless macrocyclic monomers. J. Niu 9:30 POLY 219. Rapid bimechanistic synthesis and selfassembly of block co-polymers using free electron initiators. M.M. Thuo, B.S. Chang 10:00 Intermission. 10:30 POLY 220. Tunable polymer nanostructures enabled by controlled branching. M. Zhong, Z. Guo, F. Li, A. Le, M. Cao 11:00 POLY 221. An organoborane strategy for tunable polar content in polystyrene. R.S. Klausen 11:30 POLY 222. Nanostructured polymers by ATRP. K. Matyjaszewski

SECTION D Westin Boston Waterfront Harbor Ballroom III

Polymer Chemistry for Functional Materials A. Böker, G. N. Tew, F. Wiesbrock, Organizers S. Reynaud, Presiding 8:00 POLY 223. Heterobifunctional linear-dendritic block copolymers (LDBCs) as multifunctional carriers for targeted drug therapy. D.L. Watkins 8:30 POLY 224. Tailoring the hydrophobic/hydrophilic balance of functional materials. R.T. Mathers 8:45 POLY 225. Practical prediction of monomer composition and drift in controlled radical polymerizations. A.A. Smith, V. Wu, A. Hall, T. Xu 9:00 POLY 226. Designing acrylic ABA triblock copolymers with multiple hydrogen bonding or multiple ionic bonding. X. Chen, K. Zhang, K. Drummey, T.E. Long 9:30 POLY 227. Functionalized hyperbranched polyglycerol polymers for applications in scale inhibition. B.A. Walker, S.C. Zimmerman 9:45 POLY 228. Crystallization and thermal property control of metallo-supramolecular polyesters prepared via multiple coordination bonds. K. Shibata, M. Hayashi, A. Takasu 10:00 Intermission. 10:30 POLY 229. Incorporation of biological functions into polymer materials: The use of protein-polymer-conjugates. A. Boker, H. Charan, U. Glebe, S. Reinicke 11:00 POLY 230. Tailored mucoadhesive emulsions for the delivery of therapeutic agents. S. Edwards, H. Cauldbeck, M. Al-Baldawi, R. Williams, M. Gumbleton, S. Rannard 11:15 POLY 231. Supramolecular polymers based on zwitterionic N-heterocyclic carbene carbodiimide (NHCCDI) linkages. N. Gallagher, J.A. Johnson, H.V. Nguyen, A.V. Zhukhovitskiy 11:30 POLY 232. Flex activated mechanocatalysts based upon N-heterocyclic carbene adducts. A.J. Boydston, P. Lu 11:45 POLY 233. Chain-growth type (hyper)branched radical copolymerization: A promising approach to functional materials with controlled incorporation of branching motifs. F. Li, M. Cao, Y. Feng, M. Zhong

227

TECHNICAL PROGRAM

1:30 POLY 174. Charge-shifting polycations with tunable rates of hydrolysis. S. Ros, R.M. Kleinberger, N.A. Burke, N.A. Rossi, H.D. Stover 1:45 POLY 175. Relationship between PDMS architecture and anti-smudge properties in a polyurethane coating. B. Becher Nienhaus, H. Hu, G. Liu 2:00 POLY 176. Synthesis of antimicrobial poly(guanylurea)s. J. Moon, M. Ahmed 2:15 POLY 177. Synthesis of polymer gradient Materials in ultracentrifugal fields. A. Spinnrock, H. Cölfen 2:30 POLY 178. New approaches to amphiphilic polymer conetworks with broac cocontinuous phase compositions. G.N. Tew 3:00 Intermission. 3:30 POLY 179. Mini monomer encapsulated emulsion polymerization of PMMA using ARGET ATRP. C.K. Ober, R. Cordero, A. Jawaid, M. Hsiao, Z. Lequeux, R.A. Vaia 4:00 POLY 180. Shell cross-linked micelles (SCM)s as nanoreactors for enantioselective three step tandem catalysis. M. Kuepfert, M. Weck 4:15 POLY 181. Polyion complex micelles functionalized with a cell penetrating peptide for plant gene delivery. T. Miyamoto, K. Tsuchiya, K. Numata 4:30 POLY 182. Understanding the interaction of cyclic peptide polymer nanotubes with mammalian cells. S.H. Ellacott, S. Perrier 4:45 POLY 183. Biodegradable polymeric nanoparticles for modulating lysosomal pH. J. Zeng, K. Lopes, O. Shirihai, M.W. Grinstaff

TECHNICAL PROGRAM

POLY SECTION E Westin Boston Waterfront Grand Ballroom C

Block Polymer Synthesis & Nanoscale Self-Assembly N. Balsara, N. A. Lynd, G. Stein, C. G. Willson, Organizers A. Rosales, Presiding 8:00 POLY 234. Miktoarm architectural effects in block polymer self-assembly. C. Bates 8:30 POLY 235. Linear and linear-hyperbranched block copolymers by continuous flow chemistry polymerizations. R.C. Advincula 8:50 POLY 236. Rapid morphological transitions in poly(butadiene-b-ethylene oxide) aggregates induced by olefin metathesis. B. Jones, G.D. Bachand, S. Shin, M.A. Firestone, W. Paxton 9:10 POLY 237. Responsive triblock copolymer particles with tuneable size and shape. E. Bobbi, S. Cryan, A. Heise 9:30 POLY 238. Tapered block polymers: Manipulating monomer segment distributions to tune self-assembly and macromolecular properties. T.H. Epps 10:00 Intermission. 10:30 POLY 239. Structural evolution from AB/ABC block copolymers to AB/ABC-segmented particles. X. Huang, Z. Zhang, D. Chen 10:50 POLY 240. Janus graft block copolymers: Design of polymer architecture for independently tuned nanostructures and polymer properties. A. Le, Z. Guo, X. Feng, Y. Choo, B. Liu, D. Wang, Z. Wan, Y. Gu, J. Zhao, V. Li, C.O. Osuji, J.A. Johnson, M. Zhong 11:10 POLY 241. Monolayer arrays of nanoparticles using block copolymer brush templates. H. Zhu, J. Masson, C. Bazuin 11:30 POLY 242. Quantitatively accurate simulations for block copolymer melts. M. Matsen

SECTION F Westin Boston Waterfront Otis

Ionic Liquids in Polymer Science & Engineering: From Molecular Design to Energy & Beyond T. E. Long, D. Macerreyes, K. M. Miller, J. Yuan, Organizers D. Johnson, Presiding 8:00 POLY 243. PIL by condensation – Resins, dispersions, and stabilizers. J. Texter 8:35 POLY 244. Morphological and thermal characterization of polysaccharides/protein biocomposites regenerated from ionic liquids. D. Salas-de la Cruz, J. Stanton, D.E. Verrill, X. Hu 9:10 POLY 245. Poly(ionic liquid)s as unique materials for energy related applications. A.S. Shaplov 9:45 Intermission. 10:15 POLY 246. Poly(1,2,3-triazolium ionic liquid)s: A new class of functional polymer electrolytes. M. Obadia, A. Jourdain, A. Serghei, E. Drockenmuller 10:50 POLY 247. Assemblies of linear and branched poly(ionic liquid)s. V.V. Tsukruk 11:25 POLY 248. Stable covalently photo-cross-linked porous poly(ionic liquid) membrane with gradient pore size. A. Dani, K. Taeuber, W. Zhang, H. Schlaad, J. Yuan

Porous Polymers Macroporosity Sponsored by PMSE, Cosponsored by POLY

Rational Design of Multifunctional RenewableResourced Materials Nanoparticle Structures & Properties Sponsored by CELL, Cosponsored by CARB, ENVR and POLY

Structure & Assembly of Food Biopolymers Sponsored by AGFD, Cosponsored by POLY

Surface, Interface & Coating Materials Emerging Surface & Coating Materials Sponsored by PMSE, Cosponsored by COLL and POLY

TUESDAY AFTERNOON SECTION A Westin Boston Waterfront Carlton

Materials Genome Approach to Structure & Function Frank-Kasper Phases & Other Assemblies M. L. Klein, V. Percec, Organizers, Presiding 1:00 Introductory Remarks.

228

1:05 POLY 249. Engineering CNDPs of soft superatoms to produce new emerging properties such as terahertz radiation generators or non-traditional intrinsic fluorescence (NTIF). D.A. Tomalia 1:40 POLY 250. Topological engineering of giant molecules toward unconventional structures and functions. S.Z. Cheng 2:15 POLY 251. Frustration-induced self-assembly of simple molecular amphiphiles into complex liquid crystalline FrankKasper phases. M.K. Mahanthappa 2:50 Intermission. 3:25 POLY 252. Crystals, liquid crystals, plastic crystals, & more…. M.L. Klein 4:00 POLY 253. Precision synthesis of supramolecular materials using multicomponent reactions. J.G. Rudick 4:35 POLY 254. Bottom up design of materials: The utility of bicyclic ring structures. T.M. Swager

SECTION B Westin Boston Waterfront Griffin

Polymers for Defense Applications S. T. Iacono, R. H. Lambeth, Organizers J. A. Orlicki, J. H. Wynne, Organizers, Presiding 1:00 POLY 255. Next generation coatings for DOD. J.A. Escarsega 1:25 POLY 256. Smart corrosion-inhibiting coatings for department of navy applications. P. Zarras, J.D. StengerSmith, P.A. Goodman, A. Baca, R. Quintana, L. Cambrea, L. Baldwin, T.M. Dames, A.M. Hughes, Q. Nguyen, J. Lechter, A. Chafin, D.T. Connor, J.C. Amato 1:50 POLY 257. Multicomponent transport and extraction of chemical species in polyurethane. D. Boyne, M. Varady, R.H. Lambeth, J.H. Eikenberg, S. Bringuier, T.P. Pearl, B.A. Mantooth 2:15 POLY 258. Surface and interfacial influences on the bulk mechanical responses of polymeric composites. S.M. Manni, E. Carbone, T. Kosta, S. Pemberton 2:40 POLY 259. Roll-to-roll deposition of functional polymers onto fibers. C. Cheng, M. Gupta 3:00 Intermission. 3:30 POLY 260. Mechanistic impact of water on M5 structure and properties. S. Lustig 3:55 POLY 261. Impact of amino acid residue on biohybrid activity: Asp/Glu Vs Lys. S. Averick, M. Kovaliov 4:20 POLY 262. Catechol-functionalized bioinspired synthetic adhesives: Effect of comonomer composition on adhesive properties. S. Radzinski, M. Bartucci, D.P. Flanagan, J. Lenhart, J.A. Orlicki 4:40 POLY 263. Revisiting lignin-based fibers: Understanding gel-fiber spinning, structure and property relationships. E. Ford, C. Lu, C. Blackwell

SECTION C Westin Boston Waterfront Commonwealth Ballroom C

TOSOH Lectures Nanostructured Polymers Cosponsored by PMSE J. Foster, Organizer E. B. Berda, M. A. Daniele, Organizers, Presiding W. R. Gutekunst, Presiding 1:00 POLY 264. Poly(oligonucleotide) - Bringing phosphodiester oligonucleotides to polymer chemistry. K. Zhang 1:30 POLY 265. Develop nanostructured hyperbranched polymers as unimolecular containers. H. Gao 2:00 POLY 266. New chemical approaches for ring-opening polymerization. W.R. Gutekunst, G. Fu, M. Xu 2:30 POLY 267. Interface-promoted assembly and disassembly processes for rapid manufacture and transport of complex hybrid nanomaterials. K.L. Wooley 3:00 Intermission. 3:30 POLY 268. Hyperbranched polymer nanoparticles featuring ladder-type conjugated backbones. L. Fang, A. Kalin 4:00 POLY 269. Peptide-based star and triblock copolymers: Dynamics of hierarchical assembly and responsiveness. I. Smith, B. Barnes, C. Machado, D.A. Savin 4:30 POLY 270. Preparation and application of polyesters with controlled branching. S.M. Grayson 5:00 POLY 271. Combining organic synthesis and polymer chemistry for new functional macromolecular architectures. C.J. Hawker

SECTION D Westin Boston Waterfront Harbor Ballroom III

Polymer Chemistry for Functional Materials A. Böker, G. N. Tew, F. Wiesbrock, Organizers L. M. Watkins, Presiding 1:00 POLY 272. RAFT/MADIX approaches to new cryoprotective polymers. C. Stubbs, G. Hedir, N. Vail, M.I. Gibson, A.P. Dove 1:30 POLY 273. Antibody-recruiting polymers. B. De Geest, R. De Coen, A. Uvyn 1:45 POLY 274. Hydrogels from amorphous calcium carbonate and polyacrylic acid: bio-inspired materials for “mineral plastics”. S. Sun 2:00 POLY 275. Acid-cleavable polyethylene glycol hydrogels for on-demand release of active molecules. J. Herzberger, J.R. Brown, C. Tian, E. Wilts, T.E. Long 2:15 POLY 276. Custom poly(oxazoline)s for the stabilization and functionalization of PFC nanoemulsions. D. Estabrook, E.M. Sletten 2:30 POLY 277. Enzyme-degradable hydrogels based on copoly(2-oxazoline) networks. F. Wiesbrock, K.P. Luef, B. Ottersböck, G. Oreski, C. Petit, B. Grassl, S. Reynaud 3:00 Intermission. 3:30 POLY 278. Block copolymers in confinement. A. Steinhaus, R. Chakroun, X. Qiang, M. Müllner, A. Gröschel 4:00 POLY 279. Mechanistic kinetic modeling of thiolMichael addition reactions: Structural effects of thiol and vinyl monomers. S. Huang, J. Sinha, M. Podgorski, X. Zhang, C. Bowman 4:15 POLY 280. Direct synthesis of nanoparticles with spatial heterogeneity for tailored cellular interactions. F.Y. Hern, L. Tatham, A. Owen, S. Rannard 4:30 POLY 281. Radiopaque stents based on electrospun iodixanol/polycaprolactone nanofibrous composites. M.P. Melancon, L. Lu, L. Tian, Y. Qiao, J. Gu, B. Singhana

SECTION E Westin Boston Waterfront Grand Ballroom C

Block Polymer Synthesis & Nanoscale Self-Assembly N. Balsara, N. A. Lynd, G. Stein, C. G. Willson, Organizers L. M. Hall, Presiding 1:00 POLY 282. Effects of morphology on diffusion through block copolymers from coarse-grained modeling. L.M. Hall 1:30 POLY 283. Self-assembly of stimuli-responsive polymers for optical sensing materials and smart porous membranes. M. Gallei 1:50 POLY 284. Synthesis and colloidal self-assembly of PNBE-PEO amphiphilic block polymers. C. Lang, J. LaNasa, M. Kumar, R. Hickey 2:10 POLY 285. Impact of external fields on structural transitions in diblock and triblock copolymer aqueous solutions. C.S. Valentine, L. Walker 2:30 POLY 286. Design rules of efficient ion conducting polymers: From block copolymers to single-ion polymers. M. Park 3:00 Intermission. 3:30 POLY 287. Tunable structural properties of block copolymer micelles. M.L. Robertson, T. Cooksey, X. Li, B. Kidd, A. Singh, L.A. Madsen 3:50 POLY 288. PEGylated amphiphilic block copolymers as membrane anchors for controlled affinity to lipid bilayer membranes. Y. Koda, D. Takahashi, Y. Sasaki, K. Akiyoshi 4:10 POLY 289. Life of the polyelectrolyte: Complexation, evolution, and disassembly. J. Ting, H. Wu, M.V. Tirrell 4:30 POLY 290. Ionic core micelles from block copolymers and engineered proteins. A. Obermeyer, C. Cummings, R. Kapelner

SECTION F Westin Boston Waterfront Otis

Ionic Liquids in Polymer Science & Engineering: From Molecular Design to Energy & Beyond T. E. Long, D. Macerreyes, K. M. Miller, Organizers J. Yuan, Organizer, Presiding 1:00 POLY 291. Double helix polyanion plus ionic liquid: Molecular ionic composites. L.A. Madsen 1:25 POLY 292. Nanoscale resolution of electric-field induced motion in ionic copolymer films. B.S. Lokitz, J. Dugger, W. Li, R. Kumar, L. Collins, N. Balke, J. Browning 1:50 POLY 293. 3D-printed imidazolium-containing thiolene poly(ionic liquid) networks. R.D. Johnson 2:15 POLY 294. Beyond spherical assemblies of hyperbranched poly(ionic liquid)s. V. Korolovych, A.J. Erwin, H. Lee, A. Stryutsky, W. Heller, V. Shevchenko, L. Bulavin, V.V. Tsukruk 2:40 Intermission.

Porous Polymers Mesoporosity & Macroporosity Sponsored by PMSE, Cosponsored by POLY

Rational Design of Multifunctional RenewableResourced Materials New Applications Sponsored by CELL, Cosponsored by CARB, ENVR and POLY

Surface, Interface & Coating Materials Smart & Responsive Coatings Sponsored by PMSE, Cosponsored by COLL and POLY

TUESDAY EVENING SECTION A Boston Convention & Exhibition Center Exhibit Hall B2/C

Block Polymer Synthesis & Nanoscale Self-Assembly Cosponsored by PMSE‡ N. Balsara, N. A. Lynd, G. Stein, C. G. Willson, Organizers 5:00 – 7:00 POLY 299. Hydrogen bonded silicone rubber: A new additive improving self-healing. L. Simonin, S. Pensec, L. Fauvre, D. Portinha, E. Fleury, F. Ganachaud, G. Falco, F. Dalmas, J. Chenal, L. Chazeau, L. Bouteiller POLY 300. Synthesis of LasB-stimulus-responsive cyclic peptide-polymer-conjugates as potential antimicrobials to combat multi-drug resistant P. aeruginosa infections. T. Kröber, M. Hartlieb, S. Perrier POLY 301. Gas-responsive self-assemblies for mimicking the alveoli. A. Feng, J. Yuan, S.H. Thang POLY 302. Construction and experimental validation of a dynamic kinetic model of photo-RAFT and photo-PISA. M. Duenas Diez POLY 303. Development of thermo-sensitive polymer micelle for direct injection at the targeted tumor region. A. Makino, T. Manabe, T. Asai, H. Okazawa, Y. Kiyono POLY 304. Enhanced ionic conductivity in hom*opolymerblended block polymer electrolytes. M.A. Morris, T.H. Epps POLY 305. DNA block copolymer micelles as ultra-sensitive bio-detector. J. Shin, Y. Choe, J. Shin, S. Li POLY 306. Co-nanoprecipitation of branched vinyl polymers and block co-polymers for encapsulation and delivery of poorly water soluble molecules. C. Armstrong, A. Dwyer, P. Chambon, S. Rannard POLY 307. Development of tear-resistant block copolymer ion gels via mechano-catalyzed toughening mechanisms. A.W. May, T.S. Bailey POLY 308. Thermal stability enhancement of ABA triblock copolymers based on morphology by photo cross-linking the A blocks. I. Kawarazaki, M. Hayashi, A. Takasu POLY 309. Programmable self-assembly of amphiphilic tadpole-shaped single-chain polymer nanoparticles. S. Thanneeru, J. He POLY 310. Synthesis and characterization of novel gradient copolymers by a high-throughput approach. I. Kulai, J. Zhang, B. Farias Mancilla, J. Ulbrich, M. Destarac, U.S. Schubert, C. Guerrero-Sánchez, S. Harrisson POLY 311. Effect of comonomer composition on the segregation behaviour of poly(butyl acrylate)-b-poly(methyl methacrylate-r-styrene) prepared by atom transfer radical polymerization. M. Seo, S. Lee, J. Huh, H. Paik POLY 312. The effects of architecture on the conanoprecipitation of branched polyesters. S. Blackmore, A. Dwyer, P. Chambon, S. Rannard POLY 313. Self-assembly of pH-responsive amine-based diblock copolymers. H. Koota, C. Chen, N. Lee, L. Cai, A. Ringuette, C. Goh, S.L. Goh POLY 314. Targeting core-shell-sphere block copolymer morphology for tough, fatigue-resistant hydrogels. A. Klug, T.S. Bailey

POLY 315. Poly-2-oxazolines block copolymers with fluorophilic blocks: New frontiers for the design of selfassembling systems. L. Kaberov, B. Verbraeken, J. Brus, Y. Talmon, P. Stepanek, R. Hoogenboom, S.K. Filippov POLY 316. Block and gradient copoly(2-oxazoline) micelles: Strikingly different on the inside. S.K. Filippov, B. Verbraeken, P. Konarev, D.I. Svergun, N.S. Vishnevetskaya, C.M. Papadakis, S. Rogers, A. Radulescu, T. Courtin, J.C. Martins, L. Starovoytova, I.I. Potemkin, R. Hoogenboom POLY 317. Lymph node targeting acid-degradable amphiphilic polymers with π-π stabilisation. B. De Geest, S. Van Herck POLY 318. Developing protein engineered injectable hydrogels for post-traumatic osteoarthritis. P. Katyal, M. Meleties, Q. Tian, C. Liu, J.K. Montclare

SECTION A Boston Convention & Exhibition Center Exhibit Hall B2/C

General Topics: New Synthesis & Characterization of Polymers D. Garcia, Organizer 5:00 – 7:00 POLY 319. Poly(diallyldimethylammonium chloride) treatment of cotton surfaces: A Raman study. D. Garcia, P. Pan POLY 320. Isocyanate-free syntheses of ureas and polyureas via ruthenium-catalyzed dehydrogenation of amines and formamides. S.W. Paulson, C.R. Langsted, J. Aguirre, A.C. Law, B.H. Bomann, S. Suhail, N.J. Robertson, M.J. Carney POLY 321. Developing two-dimensional copolymerization. W. Wang, A. Schlüter POLY 322. Synthesis and oxidation-promoted degradation of β-thioether containing polyester. L. Li, F. Du, Z. Li POLY 323. Radical electro-copolymerization: Improvement of conductivity in furan/thiophene copolymers. Y. Beni POLY 324. Solvent-free approach to the ring-opening polymerization of lactones with commercially available organocatalysts. J.U. Pothupitiya, N.U. Dharmarathne, M.K. Kiesewetter POLY 325. Synthesis and characterization of novel fluorenecontaining conjugated polymers. D. Jones POLY 326. Mechanistic study of the ring opening polymerization of cyclic esters with varying temperature and solvent. K. Fastnacht POLY 327. Gelatin based dynamic hydrogels via thiolnorbornene reactions. M.S. Perera, N. Ayres POLY 328. Synthesis of polyamides and poly(ester-amides) through ring-opening polymerization catalyzed by iron alkoxide complexes. M. Thompson, S. A. Gonsales, J.A. Byers POLY 329. Synthesis and characterization of drug-loaded methacrylate nanoparticles via in-situ RAFT mini-emulsion polymerization. I.R. Rosa, L.M. Sampaio, G.C. Pinto, J.M. Perez, C.L. Petzhold, M. Oliveira POLY 330. Design and synthesis of novel heterocyclic building blocks based on benzo[1,2-b:4,5-b′] chalcogenophenes. A.E. Brown, M. Jeffries-El POLY 331. Utilizing chemoselective, redox-switchable ironbased catalysts for the synthesis of branched PLA. J.A. Kehl, S. Oh, J.A. Byers POLY 332. Functionalization to the fourth power: Towards chemoselective heterotetrafunctionalization of polymer end-groups. R.A. Olson, C.A. Figg, T. Kubo, R.J. Wechsler, B.S. Sumerlin POLY 333. Thienoisoindigo-based full-conjugated polymers for next generation of solar cells. M. Comi Bonachi, S. HawLih, E. Manley, T.J. Marks, H.S. Bazzi, M. Al-Hashimi POLY 334. Studying the effect of hydrogen bonds on an amorphous thermoplastic. A. Sangroniz, L. Sangroniz, A. Muller, M. Iriarte, A. Santamaria, A. Etxeberria POLY 335. Simultaneous quantification of hom*opolymer and sequence analysis of copolymer in semi-crystalline fluoropolymer blends by differential scanning calorimetry. B.S. Clem POLY 336. Random copolymers of simple methacrylates synthesized by Cu(0)-mediated single-electron transfer living radical polymerization: Copolymerization kinetics and thermal properties. J. Choe, W. Lee, K. Paeng, M. Kim POLY 337. “Greener” approach to the ring-opening polymerization of l-lactide. N.U. Dharmaratne, T. Jouaneh, J.U. Pothupitiya, M.K. Kiesewetter POLY 338. Organocatalytic Ring opening polymerization of macrolactones and thionolactones. U. Inush Kalana, P. Datta, R.S. Hewawasam, M.K. Kiesewetter

POLY 339. Synthesis and characterization of novel anticoagulants, sulfated poly- amido-saccharides (sulPAS). M. Varghese, S.L. Chin, H. Caputo, M.W. Grinstaff POLY 340. High performance electron-transporting acceptor-acceptor conjugated polymers made via bimetallic Stille polymerization. S. Aronow, N. Shevchenko, A. Dudnik POLY 341. Making completion of spherulitic growth within eight minutes for Bisphenol A polycarbonate by a doublelayer film method. M. Tang, X. Wang, Z. Wang POLY 342. Highly efficient strategies towards sustainable monomers and polymers derived from fatty acids via tetramethylguanidine promoted esterification. J. Zhou, Z. Wang POLY 343. Initiation through alkylborane complexes for oxygen tolerant and ambient temperature RAFT. O.R. Wilson, R.L. Timmins, A.J. Magenau POLY 344. Butadiene-ATRP with Ni, Pd and Pt complexes. W. Bannerman, M. Johnson, V. Vasu, J. Kim, H. Yu, A.D. Asandei POLY 345. Synthesis and styrene copolymerization of novel trisubstituted ethylenes: 5. Oxy ring-substituted isopropyl 2-cyano-3-phenyl-2-propenoates. W.S. Schjerven, K.M. Hussain, S. Ahmed, A. Baldi, N.M. Benton, A.L. Nilsen, T.J. Rager, J.N. Sanderson, D. Scott, J.G. Zapien, O. Zavala, G.B. Kharas POLY 346. Synthesis and styrene copolymerization of novel trisubstituted ethylenes: 6. Halogen ring-substituted isopropyl 2-cyano-3-phenyl-2-propenoates. S.M. Rocus, B.Y. Killam, T.S. Bullock II, J. Carmichael, S.J. Carvalho, A.A. Dominguez, T. Faith, J. Garcia, A.D. Gould, E.E. Jacobs, K. Kochan, G.B. Kharas POLY 347. Benzodithiophene (BDT) based polymers for organic photovoltaics. R. Gunawardhana, C. Bulumulla, M.C. Stefan POLY 348. Synthesizing amphiphilic cationic bottlebrush polymers for anti-marine fouling. H. Senkum POLY 349. Polymerization of “controlled release” monomers containing a hydrolytically sensitive ester linkage via RAFT polymerization. M.A. Al-Ali, S.L. Witcher, B.C. Benicewicz, A. Decho POLY 350. Enzymatic synthesis of stimuli-responsive microgels. E. Gau, F. Flecken, A.N. Ksiazkiewicz, A. Pich POLY 351. Computational investigation of the effects of leaving groups and protecting groups on the kinetics of chain-growth polycondensation polymerization. B.D. Etz, N. Losada, F. Prehn Jr., C.J. Reese, S.G. Boyes, S. Vyas POLY 352. Induction time and hydrogen bonding complexes of epoxide and oxetane monomers in photo-initiated cationic polymerization. L. Kilgallon, S. Park, C.Y. Ryu POLY 353. The anionic polymerization of azetidine. L. Reisman, E.A. Rowe, P. Rupar POLY 354. Bipyrimidine based donor-acceptor conjugated polymers for organic electronics. P.L. Gamage, A.K. Fiedler, M.C. Stefan, M.C. Biewer POLY 355. Interaction of Rf-PEG-Rf/Rf-PEG-g-PAA co-hydrogel system with mucus. Y. Sun, A.F. Perez, Y. Ba POLY 356. Hexaarylbiimidazoles as efficient photoinhibitors of radical-mediated chain growth photopolymerizations. H.L. Van der Laan, M. Cole, T.F. Scott POLY 357. Iron mediated butadiene-ATRP. M. Johnson, W. Bannerman, V. Vasu, J. Kim, H. Yu, A.D. Asandei POLY 358. Environmentally benign vinyl ester resin (VER) and its fabrication for anti-flammable VER composites. Y. Lee, N. Kim, P. Shah

SECTION A Boston Convention & Exhibition Center Exhibit Hall B2/C

Ionic Liquids in Polymer Science & Engineering: From Molecular Design to Energy & Beyond T. E. Long, D. Macerreyes, K. M. Miller, J. Yuan, Organizers 5:00 – 7:00 POLY 359. Enzymatic degradation by Neurospora Crassa of polysaccharides/protein based biocomposite regenerated from ionic liquids and various coagulation agents. M. ZayasViera, D. Salas-de la Cruz POLY 360. Protein/polysaccharides biocomposite characterization via confocal microscopy. D.E. Verrill, A. Morales, D. Salas-de la Cruz POLY 361. Synthesis and evaluation of cationic cellulose (IV): Effect of side chain length of cation on properties. A. Hayashi, Y. Takeoka, M. Rikukawa, M. Fujita POLY 362. Synthesis and evaluation of cellulose/lignin hydrogels (IV): Effect of lignin on network structure. C. Mitsui, Y. Takeoka, M. Rikukawa, M. Fujita

229

TECHNICAL PROGRAM

3:10 POLY 295. Water dissolution in ionic liquids between electrodes: Effects of dielectric inhom*ogeneity and electrostatic correlation. I. Nakamura, H. Chen, L. An 3:35 POLY 296. Self-propelled motion of ion gel at surfaces and interfaces. T. Harada, K. Furukawa 4:00 POLY 297. Poly(ionic liquid) membranes: Synthesis & applications. F. Yan 4:25 POLY 298. Ionic liquids as (recyclable) reaction media for the synthesis of poly(2-oxazoline)-based photoresists from renewable resources. F. Wiesbrock, C. Petit, K.P. Luef, B. Grassl, S. Reynaud

TECHNICAL PROGRAM

POLY POLY 363. Addition effects of cyclodextrin in ionic liquid electrolytes (VI): Analysis of lithium-ion transport property. M. Suzuki, N. Kurahashi, Y. Takeoka, M. Rikukawa, M. Fujita POLY 364. Enumeration and literature analysis of n-alkyl imidazolium-based ionic liquids and monomers. V.F. Scalfani, A. Al Alshaikh, J.E. Bara

SECTION A Boston Convention & Exhibition Center Exhibit Hall B2/C

Materials Genome Approach to Structure & Function M. L. Klein, V. Percec, Organizers 5:00 – 7:00 POLY 365. Enhanced sampling of polymer solutions by molecular-dynamics simulation: implementation and use cases. G. Fiorin POLY 366. Phase behavior of diblock copolyme freestanding films: Insights from simulations. K. Hall POLY 367. Rapid discovery and development of designer RAFT polyelectrolytes. J. Ting, H. Wu, A. Herzog-Arbeitman, J.D. Mitchell, O. Werba, S. Meng, A. Neitzel, A. Marciel, M.V. Tirrell POLY 368. Energy dissipation in polymers for ballistic applications from molecular simulations. R. Remsing POLY 369. Glycoconjugates as cell membrane mimics and galectin functions. Q. Xiao POLY 370. Insight into the structure and proton conductivity of Nafion® membranes using simulation and statistical approaches. Y. Li POLY 371. Replacing sp2–sp3 bonds with sp2–sp2 bonds in self-assembling dendrons. W. sh*tao, N. Huang POLY 372. Elucidating the hierarchical basis for supramolecular orientational memory. B.E. Partridge, D. Sahoo, M. Peterca, E. Aqad, M.R. Imam, M.L. Klein, V. Percec POLY 373. Investigating the effect of ortho-, meta-, and para-conformers on the structure of aromatic polyamides. M. Young

SECTION A Boston Convention & Exhibition Center Exhibit Hall B2/C

Polymer Chemistry for Functional Materials A. Böker, G. N. Tew, F. Wiesbrock, Organizers 5:00 – 7:00 POLY 374. Synthesis of poly(dichlorophosphazene) by melt phase polymerization of P-trichloro-N-(dichlorophosphoryl) monophosphazene. A.S. Elayan POLY 375. Spatiotemporal control of self-oscillating gel by uniformly aligned inorganic nano sheets. Y. Kim, Y. Ishida, Y. Ebina, T. Sasaki, R. Yoshida, T. Aida POLY 376. Synthesis of supramolecular vinyl alcohol (VA) copolymers via ring-opening metathesis polymerization (ROMP) for biogenic amine delivery. J. Deme, E. Kovács, G. Merza, G. Szolnoki, V. Kiss, G. Szarka, B. Iván, P. Huszthy, J.A. Gladysz, R. Tuba POLY 377. Microgel matrix effect (MME): Influence of crosslinking on catalytic behavior. B. Sharma, S. Striegler POLY 378. Supramolecular micelles based on multi-arm star-shaped phosphoester copolymers for controlled drug delivery. L. Zhang, D. Shi, X. Li, M. Chen POLY 379. Functionalized polymeric nanoparticles for the treatment of MDR bacteria and biofilm infections. A. Gupta, R.F. Landis, C. Li, M. Schnurr, Y. Lee, R. Das, M. Yazdani, Y. Liu, V.M. Rotello POLY 380. Tetraphenylmethane shape-persistent dendritic polymers as versatile multifunctional materials. M. Torneiro, S. Campaña, D. González-Fernández, J. Urzúa, M. Roca, M. Lazzari, A. Rumbo POLY 381. Vapor phase organic chemistry to deposit conjugated polymer films on arbitrary substrates. D. Bilger, N. Cheng, T.L. Andrew POLY 382. Improving performance of thin-film composite nanofiltration membranes by changing the properties of support membranes. B. Liu, M. He POLY 383. Stimuli-responsive Pt(0)-containing metallosupramolecular polymers. L.M. Olaechea, E. Oveisi, S. Schrettl, L. Montero de Espinosa, C. Weder POLY 384. Synthesis of pseudo-dendrimer functional. J. Romain POLY 385. Iterative synthesis of sequence-defined, multifunctional, biocompatible PEGs for biomedical applications. R. Dong, R. Chen, A.G. Livingston POLY 386. Water soluble spiropyran polymers with tunable pKa and photo-isomerization rates. M. Feeney, S.W. Thomas

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POLY 387. Strain-promoted cycloadditions for the synthesis and functionalization of polymers and nanocomposites. V. Kardelis, D. Fong, K. Li, S.A. Mcnelles, C. Shamshoom, A. Adronov POLY 388. Synergetic catalysis using type-2 Cu-containing polymers for oxygen activation. S. Thanneeru, N. Milazzo, A. Lopes, Z. Wei, J. He POLY 389. One-component norrish type II initiation of CuAAC polymer networks under blue light. B.P. Sutherland, A.U. Shete, C.J. Kloxin POLY 390. Polymer-functionalized carbon nanotubes as optical probes. J. Budhathoki-Uprety, R. Langenbacher, P.V. Jena, D.A. Heller POLY 391. Organometallic approach to bioactive dendrimers and dendrimer-derived magnetoceramics. C. Agatemor, N. Etkin, R. Bissessur, A.S. Abd-El-Aziz POLY 392. Stimuli-responsive dendronized polymeric hydrogels. W. Li, J. Liu, X. Zhang, A. Zhang POLY 393. Synthesis of high molecular weight monodisperse pegylated dendrimeric structures. P. Mesa Antunez, S. Alakurtti, O. Andren, M. Malkoch POLY 394. Helux: Heterofunctional hyperbranched poly(amido amine) carboxylate. T. Ingverud, M. Malkoch POLY 395. UCST star polypeptides: Synthesis and solution behavior. Q. Zhou, A. Kumarimaduvu Palanisamy, S.A. Sukhishvili POLY 396. Stimuli-responsive supramolecular polymer adhesives exhibiting high toughness and stiffness. D. Hohl, J. Sautaux, L. Montero de Espinosa, C. Weder POLY 397. Printing of microgel arrays for regulation of cell motility and adhesion. A. Töpel, A. Sechi, A. Pich POLY 398. Nanostructured pH-responsive polyelectrolyte amphiphilic polymer conetworks. B. Ivan, S. Pásztor, C. Fodor, M. Haraszti, G. Kali, Y. Thomann, R. Thomann, R. Mülhaupt POLY 399. BN aromatic ring strategy for tunable hydroxy content in polystyrene. H.L. Van De Wouw, R.S. Klausen POLY 400. Diffusion limited oxidation (DLO) in PCSA and PCSAA. M.K. Kolel-Veetil, K.P. Fears POLY 401. Modular functionalization of polybutadiene with dynamic bonds for matrix free nanocomposites. A. Tibbits, K. Park, J. Streit, L.F. Drummy, R.A. Vaia POLY 402. Radical-mediated thiol–ene emulsion polymerizations: formation of functional nanoparticles. M.N. Arguien, D.A. Shipp POLY 403. Development of new high performance functional materials and macromolecular therapeutic platforms. N. Park, J. Hedrick POLY 404. Effect of protein charge distribution on complex coacervation for the development of a polyionic coacervate tag. R. Kapelner POLY 405. Tailorable grafting moieties for non-migratory internal plasticization of poly(vinyl chloride). C. Higa, A. Tek, R. Wojtecki, R. Braslau POLY 406. Synthesis and characterization of PEDOTpolysaccharide films for urokinase recognition. I.C. Calderon, R. So, E. Enriquez POLY 407. Shape-stable ultrasoft hydrogel microstructures. S. Anders, O. Prucker, J. Ruehe POLY 408. Copper nanoparticles-contained hydrogel with self-healing and photothermal properties. F. Tang, S. Chen, L. Li POLY 409. Polymeric materials having upper critical solution temperature characteristics as osmotic agents for forward osmosis process. H. Kang, C. Ju POLY 410. Designing matrix effects in polyacrylate microgels. M. Whaley, B. Sharma, S. Striegler POLY 411. Stereoselective photoredox ring-opening polymerization of O-carboxyanhydrides. Y. Zhong, R. Tong POLY 412. Functional triptycene-based poly(ether ether ketone)s for porous and impact-protective materials. Y. Wu POLY 413. Fluorescent labeling method reveals the functional mechanism of poly(acrylamide-co-acrylonitrile)s with upper critical solution temperatures. S. Uchiyama, C. Otsuka, H. Tokuyama, A. Hayashi POLY 414. Self-Assembly of chiral helical nanostructures based on cholesterol-aided metallomacrocycle. L. Wang POLY 415. Ethanedithiol-functionalized polyisobutylene for biphasic extraction of transition metal catalysts. I. Kulai, D. Chouikhi, D.E. Bergbreiter, M. Al-Hashimi, H.S. Bazzi POLY 416. Photoregulation of mechanochemical scission in polymers with a diarylethene-conjugated Diels–Alder adduct. J. Kida, K. Imato, D. Aoki, R. Goseki, M. Morimoto, H. Otsuka POLY 417. Thermally stable mechanochromic polymers having difluorenylsuccinonitrile. H. Sakai, R. Goseki, D. Aoki, H. Otsuka

POLY 418. Reducing volumetric shrinkage stress in composites via addition-fragmentation functionalized microparticles. N.J. Bongiardina, N. Sowan, C. Wang, S. Mavila, J. Sinha, C. Bowman POLY 419. Insertion of methylene groups into PEG crosslinkers allows for control of hydrogel swelling and mechanical properties. K. Cook, C. Grazon, A. Nazarian, E.K. Rodriguez, M.W. Grinstaff POLY 420. Investigation of crosslinking mechanism in ring-opening metathesis polymerization of functionalized dicyclopentadienes. H. Liu, H. Wei, J.S. Moore POLY 421. Multifunctional hyperbranched polyglycerol as building blocks for the synthesis of cell-instructive hydrogels. E.W. Fowler, X. Jia POLY 422. Flexible viologen- based porous coordination polymers showing fast- responsive photochromism and photomodulated fluorescence properties. H. Zhang POLY 423. Biodegradable liquid crystalline polymeric nanoparticles for drug delivery. D. Ndaya, R. Bosire, L. Gonzalez-Fajardo, A. Beringhs, X. Lu, R. Kasi POLY 424. Living additive manufacturing for complex gel formation via photo-controlled radical polymerization under ambient conditions. J.R. Lamb, J.A. Johnson POLY 425. Synthesis and sub-10 nm supramolecular self-assembly of MJLCPs containing three-dimensional nanobuilding blocks. X. Fan POLY 426. Stimuli-responsive solubility of poly(Nisopropylacrylamide) in nonpolar solvents. Y. Fu, D. Bergbreiter, S. Madrahimov POLY 427. High-strength, stimuli-responsive polymer nanocomposites derived from soybean oil and cellulose nanocrystals. M. Wu, Q. Peng, Z. Wang POLY 428. Thiazole coupled NDI-PDI based polymers as n-type semiconductors. S. Attar, H.S. Bazzi, M. Al-Hashimi POLY 429. Maintenance-free polymer-based contact poly(2oxazoline)-based biocides in polyolefin blends. R. Hofmann, K.P. Luef, A. Kelly, F. Wiesbrock POLY 430. Poly(alkyl glycidate carbonate)s as degradable poly(alkyl acrylates) analogues. A. Beharaj, I. Ekladious, M.W. Grinstaff POLY 431. Enhancing mechanical and thermal properties of 3D printed PLA by graphene reinforcement. S. Rostom, B. Eduards, M.D. Dadmun POLY 432. Strategies for the assembly of sequence controlled polymers via thiol-click reactions. B. Fairbanks, X. Han, H. Culver, S. Mavila, C. Bowman POLY 433. Dendrite-free lithium metal batteries based on single-ion polymers. B. Kim, M. Park POLY 434. Hotter monomers with better adhesion: 7-Oxanorbornene and 7-oxanorbornadiene derivatives for improved frontal ring-opening metathesis polymerization. L.A. Robertson, E. Goli, C. Lee, P.H. Geubelle, J. Moore POLY 435. Design and structural study of fluorinated 1,4-di(thiazolyl)benzenes as monomers for π-conjugated polymers with enhanced coplanarity. M. Barlog, I. Kulai, X. Ji, S. Dey, L. Fang, H.S. Bazzi, M. Al-Hashimi POLY 436. Rheological and diffusional characteristics of dimethylacrylamide-based hydrogel networks containing hollow silicone nanoparticles. K.A. Stockmal, A.L. Fogel, S.E. Morgan POLY 437. Probing the hydrogen bond in photoresponsive supramolecular azobenzene-polymer films. K. Herman, C. Mileham, J. Krüger, N. Bolle, D. McGee, H. Abourahma POLY 438. Synthesis, photophysics and fluorescence phosphate sensing by a poly(phenylene ethynylene)type cationic conjugated polyelectrolyte. P. Jagadesan, K.S. Schanze POLY 439. Polymeric chromophore-catalyst assembly for the photocatalytic CO2 reduction. Y. Zhao, Y. Eom, K.S. Schanze POLY 440. Breathable fabrics with smart pores to mimic leaf stomata. L. Lao, D. Shou, Y. Wu, J. Fan POLY 441. Dandelion-like near infrared light photoinitiators: From synthesis to enhanced photopolymerization. X. Zou, Z. Li, R. Liu, X. Liu

SECTION A Boston Convention & Exhibition Center Exhibit Hall B2/C

Polymers for Defense Applications S. T. Iacono, R. H. Lambeth, J. A. Orlicki, J. H. Wynne, Organizers 5:00 – 7:00 POLY 442. 3D printing feedstocks from recycled materials. N.E. Zander, M. Gillan

SECTION A Boston Convention & Exhibition Center Exhibit Hall B2/C

TOSOH Lectures Interface of Polymer Science & Biology, Nanostructured Polymers & Nanocomposites E. B. Berda, M. A. Daniele, J. Foster, Organizers 5:00 – 7:00 POLY 457. Novel cell detaching system by polymer that is responsive to fluorous solvent. T. Nakanishi, T. Shimosaka, S. Oki, H. Eguchi POLY 458. New strategy for radical ring-opening polymerization of strainless macrocyclic monomers. H. Huang, J. Niu POLY 459. Facial amphiphilic antimicrobial polymers using multicyclic bile acids. M. Rahman, E. Luat, M. Jui, C. Tang POLY 460. Studying the effect of mechanical properties of lipid-wrapped nanoparticles on cell-nanoparticle interactions. B. Eshaghi, B.M. Reinhard POLY 461. Comparing the dynamics of the Neisseria meningitidis and Neisseria gonorrhoeae type IV pilus filaments using all-atom molecular dynamics simulation. R. Goncalves, J.L. Baker POLY 462. Novel organic-inorganic and robust aerogel based on polyhedral oligomeric silsesquioxane (POSS). L. Wang, Q. Li POLY 463. Single-chain nanoparticles via intra-chain atom transfer radical coupling. E.R. Bright, C. Willis, C. Leo, N. Shipley, E.B. Berda POLY 464. Effect of pendant groups on fabrication of poly(norbornene imide) single-chain nanoparticles. R. Chen, S. Benware, J. Cole, J.J. Lessard, E.B. Berda POLY 465. Polylactide nanocomposites: The influence of the interactions on the light and gas barrier properties. A. Sangroniz, E. Lizundia, J. Vilas, M. Iriarte, A. Etxeberria POLY 466. Effect of crystal orientation of cellulose nanocrystal (CNC) on properties of polyvinyl alcohol nanocomposite fibers. S. Shrestha, G. Schueneman, J. Snyder, J.P. Youngblood

POLY 467. SI-RAFT polymerization of dimethyl butadiene on silica nanoparticles for matrix-free “methyl rubber” nanocomposites. Z.M. Abbas, M.M. Mohammadkhani, B.C. Benicewicz POLY 468. Nanoscale structure-property relationships of polyacrylonitrile/CNT composites as a function of polymer crystallinity and CNT diameter. J. Gissinger, C. Pramanik, B. Newcomb, S. Kumar, H. Heinz POLY 469. All inorganic perovskite nanocrystals with precisely controlled optical properties and enhanced stability via non-linear amphiphilic block copolymers. Y. Yoon, Y. Chen, J. Jung, Y. Chang, C. Lin, S. Yu, S. Zhang, C. Lu, S. Pan, Z. Wang, Z. Kang, V.V. Tsukruk, Z. Lin POLY 470. Interfacial transport in nanocellulose-based nanocomposite membranes for improved reverse osmosis performance. S.M. Martin, E. Smith, J. Foster POLY 471. Effect of isopropyl phosphate incorporation on the morphology and transport properties of sulfonated poly(styrene-isobutylene-styrene) membranes. E. Ruiz-Colon, M. Perez Perez, D. Suleiman POLY 472. High fidelity supramolecular copolymers as tunable pH-responsive siRNA-carrier materials. P. Ahlers, P. Besenius POLY 473. Kinetic-control on tunable nanomaterials. A. Sarkar, M. Stefik POLY 474. Interfacial and rapid addition polyaniline nanofiber synthetic methods: A comparative study. H. Moustakas, J.J. Belbruno POLY 475. Porous thin films with hierarchical structures formed by self-assembly of zwitterionic comb copolymers. P. Kaner, I. Sadeghi, A. Asatekin POLY 476. Facile fabrication of functional hydrogel from enzymatically synthesized polymeric DNAs. L. Tian POLY 477. Theoretical anatomy of the Nuclear Pore Complex. K. Huang, I. Szleifer POLY 478. Backbone-degradable brush polymers: Synthesis and biological applications. P. Shieh, J.A. Johnson POLY 479. Highly efficient single-chain organic nanoparticle catalyst for click chemistry. J. Chen, S.C. Zimmerman POLY 480. Cyclopropenium polymers: A platform for nonviral gene delivery materials. R. Starr, L.M. Campos POLY 481. Assembly and differentiation of salivary stem/ progenitor cells in bioactive synthetic matrices. E.W. Fowler, A. Ravikrishnan, S. Pradhan-Bhatt, X. Jia POLY 482. Tuning matrix properties to regulate the phenotype and functions of epithelial cells. A. Ravikrishnan, E.W. Fowler, X. Jia POLY 483. Interactions between biosystems and 3D-microstructured surfaces. S. Anders, N. Tusamda Wakhloo, O. Prucker, K. Anselme, J. Ruehe POLY 484. Polyproline as a minimal mimic of antifreeze glycoproteins and its use in cellular cryopreservation. B. Graham, T.L. Bailey, M.I. Gibson POLY 485. Guanidium-based cell penetrating polymers as delivery agents trigger apoptosis in HepG2 cells but can be alleviated by conjugating to hydrophilic block. Z. Tan, Y.K. Dhande, T.M. Reineke POLY 486. The encapsulation of conjugated polymers for use as biological imaging agents. S. Bourke, F. Dona, M. Panamarova, Y. Teijeiro Gonzalez, U.S. Eggert, K. Suhling, P. Zammit, L. Dailey, M. Green POLY 487. Role of transporter-cargo binding in polymermediated intracellular protein delivery. N.D. Posey, C.R. Hango, L.M. Minter, G.N. Tew POLY 488. Multistate characterization of interactions of isoamphipathic oligomers with bacterial mimetic membranes. J.S. Brown, Z. Mohamed, C. Artim, S. Daniel, C.A. Alabi POLY 489. Copolymer-stabilized coacervate microdroplets as multicompartmentalized artificial cells. A.F. Mason, L. Abdelmohsen, N. Yewdall, B. Buddingh’, D.S. Williams, J. Van Hest POLY 490. Drug-loaded (copolymeric) nanovectors via direct hydration as a new nanomedical platform for leukemia therapy. D.S. Williams, R. Ridolfo, B. Ede, P. Diamanti, P. White, A. Perriman, J. Van Hest, A. Blair POLY 491. Targeted delivery of tumor-responsive polymer anticancer prodrugs. D. Hu, H. Hu, J. Tang, Y. Shen

SECTION A Boston Convention & Exhibition Center Exhibit Hall B2/C

Vitrimers & Other Covalent Adaptable Networks C. Bowman, F. E. Du Prez, Organizers 5:00 – 7:00

POLY 492. Programmable liquid crystalline elastomers using light activated covalent adaptable networks. A. Martinez, M. McBride, C. Bowman POLY 493. Tuning dynamic liquid crystal networks via mesogen copolymerization. A. Metlay, D.K. Schneiderman, F.S. Etheridge, S.J. Rowan POLY 494. Intrinsically-healable, self-reporting thermosets by activation of latent, long-lived reactive species. A. Bingham

Joint PMSE-POLY Poster Session Designing Polymers for Function in Electrochemical Energy Storage Devices Sponsored by PMSE, Cosponsored by POLY

Joint PMSE-POLY Poster Session General Posters-New Concepts in Polymeric Materials Sponsored by PMSE, Cosponsored by POLY

Joint PMSE-POLY Poster Session Porous Polymers Sponsored by PMSE, Cosponsored by POLY

Joint PMSE-POLY Poster Session Probing Structure & Morphology of Polymers & Polymer Composites in Real & Reciprocal Space Sponsored by PMSE, Cosponsored by POLY

Joint PMSE-POLY Poster Session Surface, Interface & Coating Materials Sponsored by PMSE, Cosponsored by POLY

Joint PMSE-POLY Poster Session Synthesis, Processing & Device Engineering Sponsored by PMSE, Cosponsored by POLY

WEDNESDAY MORNING SECTION A Westin Boston Waterfront Carlton

Materials Genome Approach to Structure & Function Synthetic Biology M. L. Klein, V. Percec, Organizers P. H. Seeberger, D. A. Wilson, Presiding 8:00 POLY 495. Glycopolymers for immune modulation in the tumor microenvironment. C.R. Bertozzi 8:35 POLY 496. Multivalent displays for cancer immunotherapy. L.L. Kiessling 9:10 POLY 497. Design principles for a hybrid polymeric materials system capable of photothermally-triggered actuation and its application as a new platform for in vitro cell manipulation. A. Sutton, T. Shirman, J. Aizenberg 9:45 Intermission. 10:05 POLY 498. Novel materials created from synthetic polysaccharides: Synthesis, structure and function. P.H. Seeberger 10:40 POLY 499. Complex supramolecular systems and functions from programmed sequence-defined primary structures. V. Percec 11:15 POLY 500. Star-shaped glycopolymers with ability to manipulate cytokine secretion in human dendritic cells. D.M. Haddleton

SECTION B Westin Boston Waterfront Griffin

Polymers for Defense Applications S. T. Iacono, R. H. Lambeth, J. A. Orlicki, J. H. Wynne, Organizers J. S. Lum, J. Lum, Presiding 8:00 POLY 501. Synthesis of energetic propellant and explosive ingredients for potential polymer applications. J. Sabatini 8:25 POLY 502. Encapsulation of phase change materials within emulsion-templated polymer monoliths for thermal energy storage/release applications. M.S. Silverstein, R. Sanguramath, I. Berezovska, N. Rosen, K. KapilovBuchman, E. Ovadia, R. Mor Yosef, E. Tuval, I. Moshe, A. Miller, A. Picciotto 8:50 POLY 503. Strategies to improve binder performance for energetic materials. J.A. Orlicki, M.H. Baranoski 9:15 POLY 504. Inert binder effects on interface and reaction kinetics of 3D printed reactive composites. J.M. McCollum, S.T. Iacono, J. Bencomo

231

TECHNICAL PROGRAM

POLY 443. Room temperature activation of selfdecontaminating polyHIPE foams for force protection applications. C.L. McGann, G.C. Daniels, S.L. Giles, R.B. Balow, J. Lundin, J.H. Wynne POLY 444. PolyHIPE composition modification: Towards a versatile chemical warfare agent absorbent. A. Wright, S.J. Holder, M. Main, N.J. Cooper, B. Blight POLY 445. Characterization of fungal degradation mechanisms of organic coatings (polyurethane) using Fourier-transform infrared spectroscopy (FTIR). R. Singh, H. Fouly, R. Bhargava, I. Ahmad POLY 446. Surface energy determinations in polymer systems by inverse gas chromatography. W. Skinner, B. Borzych, E. Carbone, S.M. Manni POLY 447. Cold weather protection via silver nanowire and hydrogel modified textiles. J.S. Lum, J. Orlando, E.E. Anderson, E. Hirst, P. D’Angelo POLY 448. Development of inherently omniphobic fibers and fabrics. W. Zukas, N. Hoffman, Q. Truong POLY 449. Fuel transport properties of functionalized nanoclay/urethane composites. J.M. Sloan, D.P. Flanagan, D.C. DeSchepper, H.O. Feuer POLY 450. Super repellent coatings for textiles for protection against aviation fuels. M. Richards, M. Auerbach POLY 451. Self-assembling peptide nanofibers for rapid hemostasis. C. Bittner, P.T. Hammond POLY 452. Novel synthesis of ternary MgTiSi alloys from asbestos-chrysotile. F.F. Bruno, R. Nagarajan, A. Chiappa, N. Farhadi, D. Ziegler, M. Bernabei POLY 453. Tailoring acrylate-based metallo-supramolecular network morphologies with monomer feed ratio and excess metal-ligand complexes. A.M. Savage POLY 454. Kinetic entrapment of poly(urethane-urea) hard domains via ultrahigh volume fraction aligned carbon nanotube arrays. J. Gair, D.L. Lidston, R.H. Lambeth, D.P. Cole, A.J. Hsieh, H. Bruck, A.J. Hall, M.L. Bundy, B.L. Wardle POLY 455. The importance of polymer grafting strategy for the retention of DNase I polymer hybrid activity. M. Kovaliov, S. Sloane, S. Averick, D. Konkolewicz POLY 456. Structure-property relationships through a novel FIB notch technique. M.R. Roenbeck, E.J. Sandoz-Rosado, J. Cline, V. Wu, P. Moy, M. Afshari, D.L. Reichert, S. Lustig, K.E. Strawhecker

TECHNICAL PROGRAM

POLY 9:40 POLY 505. High performance polymers for additive manufacturing: 3D Printing of Kapton®. J. Herzberger, V. Meenakshisundaram, C.B. Williams, T.E. Long 10:00 Intermission. 10:30 POLY 506. Old thermoset chemistries for a new process. High temperature thermosetting resins for additive manufacturing. H. Koerner 10:55 POLY 507. Towards additive manufacture of high performance thermoset polymeric composites. J.P. Lewicki 11:20 POLY 508. Phototriggerable transient devices based on polyaldehydes. P. Kohl, O. Phillips, J. Jiang, A. Engler 11:40 POLY 509. Using polymers to affect the behavior of liquid crystals. M. McConney, T.J. White, T. Bunning

SECTION C Westin Boston Waterfront Commonwealth Ballroom C

DSM Science & Technology Award L. Pitet, Organizer, Presiding 8:00 Introductory Remarks. 8:15 POLY 510. Stretchable electronic and photonic nanocomposites from self-organized nanoparticles. Y. Kim, N. Kotov 8:45 POLY 511. Sequential annealing of block copolymers for Moiré superstructures. C. Jin, B.C. Olsen, E.J. Luber, J.M. Buriak 9:15 POLY 512. Applications of colliodal core-shell nanoparticles as precursors to porous thin film coatings in photovoltaic applications. D. Reardon 9:45 Intermission. 10:15 POLY 513. Design of polymeric microstructures showing active, dynamic and hierarchical deformations. Y. Yao, J. Cui, X. Wang, A.V. Shneidman, N.K. Mandsberg, J. Aizenberg 10:45 POLY 514. High performance roll-to-roll printed PTB7-Th/PC71BM organic solar cells. K. Gu, X. Gu, Y. Zhou, H. Yan, Z. Bao 11:15 POLY 515. Investigating new sources for and applications of cellulose nanocrystals. S.J. Rowan

SECTION D Westin Boston Waterfront Marina Ballroom III

General Topics: New Synthesis & Characterization of Polymers D. Garcia, Organizer Y. He, J. T. Trotta, Presiding 8:00 POLY 516. PolyMOC gels formed from M6L12 coordination cubes. J. Zhao, J.A. Johnson 8:20 POLY 517. AFM peakforce QNM mode for measurement of nanosurface mechanical properties of Ptcured silicones: Evidence for a double network. K.J. Wynne, S. Nair, C. Wang 8:40 POLY 518. Studies into the preparation of Adenopus breviflorus benth oil cast resin via catalyst and solvent free thermal click chemistry. C.O. Akintayo, E.T. Akintayo, O. Iyiola 9:00 POLY 519. NIR-sensitized photoinduced ATRP with ppm of Cu catalyst. C. Kütahya, C. Schmitz, V. Strehmel, Y. Yagci, B. Strehmel 9:20 POLY 520. Renewable thermosets and thermoplastics from itaconic acid. J.T. Trotta, B.P. Fors 9:40 POLY 521. Synthesis of poly(vinyl phosphonic acid)based polymers and their potential applications. S.L. Lilholt, I. Alshehri, K. Tillman, D.A. Shipp 10:00 POLY 522. Synthesis and characterization of nanoZIF-8 loaded polystyrene composite particles. S. Thaiboonrod, W. Sajomsang, C. Ratanatawanate, P. Gonil 10:20 POLY 523. Green synthesis of functional fluoropolymers. J. Jaye 10:40 POLY 524. Lewis acids as highly active silanol condensation polymerization catalysts. M. Belowich, E. Auyeung, J. Roberts, T. Peterson, S. Han, V. Pushkarev, W. Lee 11:00 POLY 525. Anionic polymerization of nitrophenylsulfonyl-activated aziridines. P. Mbarushimana 11:20 POLY 526. Transition metal mediated ATRP of butadiene. A.D. Asandei 11:40 POLY 527. Thermodynamic investigation of hyaluronic acid-chitosan coacervates. F. Akcay Ogur, F.A. Akin, A.B. Kayitmazer

SECTION E Westin Boston Waterfront Grand Ballroom C

232

Block Polymer Synthesis & Nanoscale Self-Assembly Cosponsored by PMSE‡ N. Balsara, N. A. Lynd, G. Stein, C. G. Willson, Organizers R. Ferrier, Presiding 8:00 POLY 528. Electrochemically controlled cationic polymerizations. B.P. Fors 8:30 POLY 529. Bimetallic chromium catalysts with chain transfer agents: A new route to isotactic poly(propylene oxide)s with narrow dispersities. L.S. Morris, I. Childers, G.W. Coates 8:50 POLY 530. S. oneidensis as a living electrode for controlled radical polymerization. G. Fan, C. Dundas, A. Graham, N.A. Lynd, B. Keitz 9:10 POLY 531. Convenient synthesis of redox responsive block polymers. D.K. Schneiderman, T. Ruiz Velasco, R. Miranda, S.J. Rowan 9:30 POLY 532. Synthesis and self-assembly of polyethercontaining block polymers. N.A. Lynd 10:00 Intermission. 10:30 POLY 533. Reversible-addition fragmentation chain transfer (RAFT) mediated depolymerization of brush polymers. M.J. Flanders, W. Gramlich 10:50 POLY 534. Organic ring-opening polymerization catalysts: A facile approach to hom*opolymers and block copolymers. B. Lin, N. Park, J. Hedrick, R.M. Waymouth 11:10 POLY 535. Post-polymerization synthesis of blocky copolymers via reactions in the semicrystalline gel-state. R.B. Moore, L. Anderson, K. Felice, S. Talley 11:30 POLY 536. Synthesis, materials science, and applications of olefin block copolymers prepared by chain shuttling catalysis. P.D. Hustad, E.M. Carnahan, J. Weinhold, C. Li Pi Shan

SECTION F Westin Boston Waterfront Otis

Value-Added Derivatives from Agro-Based Raw Materials Polysaccharide-Related Materials Sponsored by AGFD, Cosponsored by POLY

Surface, Interface & Coating Materials Functional Surface & Coatings Sponsored by PMSE, Cosponsored by COLL and POLY

WEDNESDAY AFTERNOON SECTION A Westin Boston Waterfront Carlton

Materials Genome Approach to Structure & Function Life-Inspired Systems & Molecular Machines M. L. Klein, V. Percec, Organizers P. T. Hammond, E. Yashima, Presiding 1:00 POLY 546. Combinatorial nanoscience: Expanding the materials genome. C.A. Mirkin 1:35 POLY 547. Machine learning for colloidal crystal structure and property discovery & inverse design. S.C. Glotzer 2:10 POLY 548. Mechanically robust but healable polymer materials. T. Aida 2:45 Intermission. 3:05 POLY 549. Active, autonomous and complex life-like molecular systems with adaptive behaviour. D.A. Wilson 3:40 POLY 550. Dynamic self-assembly for life-inspired systems. M. Lee 4:15 POLY 551. Harnessing artificial molecular machines in slide-ring polymer synthesis. C. Pezzato, Y. Feng, Y. Qiu, I. Roy, J.F. Stoddart

Ionic Liquids in Polymer Science & Engineering: From Molecular Design to Energy & Beyond

SECTION B

T. E. Long, D. Macerreyes, Organizers K. M. Miller, J. Yuan, Organizers, Presiding 8:00 POLY 537. Interactions, organization, and functional properties of star poly(ionic liquid) assemblies. A.J. Erwin, H. He, K. Matyjaszewski, A.P. Sokolov, V.V. Tsukruk 8:25 POLY 538. Highly crosslinked PILs as sorbent and catalyst in deep desulfurization of fuel oil. C. Li, H. Song 8:50 POLY 539. Mesoporous poly(ionic liquid)s catalyze the conversion of CO2 into high-value chemicals. Y. Zhou, Z. guo, J. Wang 9:15 POLY 540. Design of ion-conductive core-shell nanoparticles via site-selective quaternization of triazole– triazolium salt block copolymers. C. Lo, K. Nakabayashi, H. Mori 9:40 Intermission. 10:10 POLY 541. Polyester synthesis via enzymatic ringopening polymerization (ROP) in ionic liquids. H. Zhao, L. Afriyie 10:30 POLY 542. Stretchable single-ion conducting block copolymer membranes. P. Cao, B. Li, G. Yang, J. Nanda, A.P. Sokolov, T. Saito 10:50 POLY 543. Ion specific odd-even effects glass transitions in polymerized ionic liquid networks. C. Shen, Q. Zhao, C. Evans 11:10 POLY 544. Multifunctional mesoporous poly(ionic liquid)s for the transformation of biomass platform compound 5-hydroxymethylfurfural. Q. Wang, Y. Zhou, J. Wang 11:30 POLY 545. Protic ionic liquids composite membranes with selective gas transport nanochannels: Applications in olefin-paraffin separation. X. Tantai, L. Zhang

Polymers for Defense Applications

Functional Materials from Biopolymer Self-Assembly & Self-Organization Sponsored by CELL, Cosponsored by CARB, COLL, ENVR and POLY

Westin Boston Waterfront Griffin S. T. Iacono, R. H. Lambeth, J. A. Orlicki, Organizers J. H. Wynne, Organizer, Presiding N. E. Zander, Presiding 1:00 POLY 552. Unexpected synergy in engineered metalorganic frameworks and polymer membranes for military protection applications. J.B. DeCoste, M.S. Denny, T. Tovar, I. Iordanov, G. Peterson, S. Cohen 1:25 POLY 553. Improved sequestration and decomposition of chemical warfare agents via low-temperature thermal treatment of porous poly(dicyclopentadiene) foams. R. Balow, S.L. Giles, C. McGann, G.C. Daniels, J. Lundin, P.E. Pehrsson, J.H. Wynne 1:50 POLY 554. N-Substituted polyurea-silane polymers for coatings with enhanced CWA resistance. E.M. Durke, E. Iezzi 2:15 POLY 555. Detection of threats and sensors via electrochemically molecularly imprinted polymers (E-MIPS). R.C. Advincula 2:40 POLY 556. MOFwich: Sandwiched metal-organic framework-containing mixed matrix composite polymers for chemical warfare agent removal. G.W. Peterson, A. Lu, M.G. Hall, M.A. Browe, T. Tovar, T.H. Epps 3:00 Intermission. 3:30 POLY 557. Sensing chemical warfare agent simulants via natural and synthetic photonic crystals. B. Fisher, A. Abel, J. Kittle 3:55 POLY 558. Poly high internal phase emulsions for the absorption and immobilzation of chemical warfare agents. S.J. Holder, A.J. Wright, B. Blight, M. Main, N.J. Cooper 4:20 POLY 559. Detection of organophosphates using a new generation of polymer-incorporated fluorescent sensors. E. Lloyd, K.A. Van Houten 4:40 POLY 560. Enzymatic synthesis of fluorescent conjugated polymers and their application in sensing. W. Kiratitanavit, F.F. Bruno, J. Kumar, R. Nagarajan

Porous Polymers Applications

SECTION C

Sponsored by PMSE, Cosponsored by POLY

Biomacromolecules/Macromolecules Young Investigator Award

Westin Boston Waterfront Commonwealth Ballroom C

Henkel Award for Outstanding Graduate Research in Polymer Chemistry: Symposium in honor of Aleksandr V. Zhukhovitskiy Sponsored by PMSE, Cosponsored by CHED , POLY and PROF ‡

‡

P. Majumder, Organizer A. Albertsson, M. A. Hillmyer, S. J. Rowan, Presiding 1:00 Introductory Remarks. 1:05 POLY 561. Bioactive nano- and microstructures from self-assembling amphiphilic glycopolymers. N.R. Cameron 1:30 POLY 562. Advances in PISA. R.K. OReilly 1:55 POLY 563. Polymers at Interfaces. H.A. Klok

3:30 POLY 586. Re-ordering for disordered structure of an amorphous – b – main-chain liquid crystal – b – amorphous copolymer into ordered lamellar structure by adding hom*o liquid crystalline chains. M. Hayashi, J. Kuribayashi, M. Tokita 3:50 POLY 587. Research on controlled self-assembly of controlled fluorescent block copolymers driven by π-π interactions. F. He 4:10 POLY 588. Synthesis, characterization and biostability of poly(ethylene-co-butylene) polyurethanes. R. Cui, R. Tota, R. Faust 4:30 POLY 589. Kraton Polymers, 50 years of experience with styrenic block copolymers. M. Stol

SECTION D

Polymer History

Westin Boston Waterfront Marina Ballroom III

Cosponsored by HIST, PMSE and SCC‡ R. S. Moore, Organizer W. T. Ford, Organizer, Presiding 1:00 POLY 590. Development of polymer science in academia. W.J. MacKnight, E.B. Coughlin 1:30 POLY 591. Paul Flory’s legacy in polymer science. D.Y. Yoon 2:00 POLY 592. Polyesters-from discovery to indispensable modern materials. S.R. Turner 2:30 POLY 593. Developments in living polymerization. R.H. Grubbs 3:00 Intermission. 3:30 POLY 594. Polymer chemistry history: The development of modern photoresists. R.D. Allen 4:00 POLY 595. Pressure sensitive adhesives and tapes: From intuition to science. D. Yarusso

General Topics: New Synthesis & Characterization of Polymers D. Garcia, Organizer Z. Li, Q. Michaudel, Presiding 1:00 POLY 569. β–selective cyclopolymerization using Rudithiolate olefin metathesis catalysts by controlled manner. K. Jung, T. Choi 1:20 POLY 570. Porous polyimide network as a new photoactive organocatalyst for PET-RAFT polymerization with oxygen tolerance. L. Zhang, G. Ye, S. Xu 1:40 POLY 571. Solid state photoelimination polymerization: Structure change with guest species in urea inclusion. M. Moskowitz, B. Wang, S. Dinca, M. Hollingsworth, M.B. Sponsler, B.S. Hudson 2:00 POLY 572. Towards exceptionally stable imidazolium cations for anion-exchange membrane applications. J. Shih, V.N. Nziko, V. Bryantsev, J. Melchior, R. Custelcean, S. Jansone-Popova 2:20 POLY 573. Investigation of a dual-role, two-color photosensitive molecule for oxygen removal and radical generation. K. Childress, K. Kim, D. Glugla, M. Alim, J.W. Stansbury 2:40 POLY 574. Accessing various polymer architectures with the simple flip of a switch. Q. Michaudel, B.P. Fors 3:00 POLY 575. Development of a chain-shuttling ringopening polymerization. M. Chiu 3:20 POLY 576. Organocatalyzed ring-opening atom transfer radical polymerization of vinylcyclopropanes driven by visible light. D. Chen, G. Miyake 3:40 POLY 577. Catalytic synthesis and post-polymerization modification of cyclic polyalkynes. Z. Miao, T. Kubo, B.S. Sumerlin, A.S. Veige 4:00 POLY 578. Synthesis of sustainable poly(γ-butylactone) and copolymers by cyclic trimeric phosphaze base catalyzed ROP. Z. Li 4:20 POLY 579. Effects of two different α-Olefins and the composition ratio of their combination on maleic anhydride and α-olefins terpolymerization. H. Kim, J. Nath, N.S. Khelfallah 4:40 POLY 580. Six- and seven-membered ring-forming cyclopolymerization of various diyne derivatives using Grubbs catalysts: Rational design of monomers and direct observation of propagating carbene. J. Song, T. Choi

SECTION E Westin Boston Waterfront Grand Ballroom C

Block Polymer Synthesis & Nanoscale Self-Assembly N. Balsara, G. Stein, C. G. Willson, Organizers N. A. Lynd, Organizer, Presiding 1:00 POLY 581. Precision nanomaterials from kineticcontrolled block copolymers. M. Stefik 1:30 POLY 582. Nanostructural transitions driven via in situ polymer grafting in diblock copolymer/monomer blends. R. Hickey, E. Zofchak, W. Mei, J. LaNasa 1:50 POLY 583. Facile synthesis of fluorine-substituted polylactides and self-assembly of their amphiphilic block copolymers in solution. C. Lee, R. Khalifehzadeh, B.D. Ratner, A. Boydston 2:10 POLY 584. Pd-catalyzed post-polymerization modification of block copolymers for nanoparticle synthesis. D.H. Howe, A.N. Le, R.M. McDaniel, A.J. Magenau 2:30 POLY 585. Progress in fully fluctuating field theoretic simulations of polymers. K.T. Delaney, G.H. Fredrickson 3:00 Intermission.

SECTION F Westin Boston Waterfront Otis

Functional Materials from Biopolymer Self-Assembly & Self-Organization Sponsored by CELL, Cosponsored by CARB, COLL, ENVR and POLY

Porous Polymers Macroporosity Sponsored by PMSE, Cosponsored by POLY

Value-Added Derivatives from Agro-Based Raw Materials Triglycerides & Lignin Sponsored by AGFD, Cosponsored by POLY

Surface, Interface & Coating Materials Applied Surface & Coating Research Sponsored by PMSE, Cosponsored by COLL and POLY

WEDNESDAY EVENING SECTION A Westin Boston Waterfront Grand Ballroom A

POLY/PMSE Plenary & Awards Event Cosponsored by PMSE‡ and PROF E. Harth, C. Lipscomb, Organizers D. J. Gerbi, M. Grunlan, Presiding 5:30 Welcome Reception. 6:00 POLY 596. Translating polymer science and engineering into practice: Air Force Materials Science and Technology. T. Bunning 6:45 Award Presentation and Reception.

THURSDAY MORNING SECTION A Westin Boston Waterfront Carlton

Materials Genome Approach to Structure & Function Cancer Therapeutics & Biomaterials M. L. Klein, V. Percec, Organizers R. Grubbs, J. G. Rudick, Presiding 8:00 POLY 597. Designer polypeptides for cancer therapeutics and controlled mRNA delivery. P.T. Hammond 8:35 POLY 598. Biomimetic helical foldamers and polymers: Synthesis, structures and functions. E. Yashima 9:10 POLY 599. Multifunctional and stimuli responsive polypeptides. T.J. Deming 9:45 POLY 600. Dendrimer peptidomimics and polymers for drug and vaccine delivery. M. Monteiro

10:20 POLY 601. Marshalling methods to make soft materials: Design and synthesis of polymer-based materials. R.B. Grubbs 10:55 POLY 602. A combinatorial library approach to biomaterials. R. Langer

SECTION B Westin Boston Waterfront Griffin

Polymers for Defense Applications S. T. Iacono, J. A. Orlicki, J. H. Wynne, Organizers R. H. Lambeth, Organizer, Presiding A. M. Savage, Presiding 8:00 POLY 603. Regioselective C–H xanthylation as a platform for polyolefin functionalization. J. Williamson, W. Czaplyski, E.J. Alexanian, F.A. Leibfarth 8:20 POLY 604. Polyarylene synthesis, characterization, and optimization for high performance applications. S.M. Budy, D.Y. Son 8:40 POLY 605. Synthesis and evaluations of substituted polyaniline with high conjugation and conductivity. F.F. Bruno, R. Nagarajan, W. Kiratitanavit, N. Farhadi, B. Yoon, S. Fossey, M. Bernabei 9:00 POLY 606. Development of high temperature inorganic-organic polymers and hybrids. T. Pruyn, J. Heckler 9:20 POLY 607. Fast neutron irradiation of polymeric materials. C.W. Littlefield, B. Jeffries, C. Algiere, J. So, J. Gallagher, J.D. Robertson, Q. Michael, J.D. Brockman 9:40 POLY 608. Preparation and properties of highly thermostable polyisocyanurate foams modified with epoxy resin. K. Chen, C. Tian 10:00 Intermission. 10:30 POLY 609. Adhesive and mechanical properties of hybrid polyhydroxyurethane-epoxy network polymers. R.H. Lambeth 10:50 POLY 610. Hygroscopic, thermal, and radiation stability of high precision replicated epoxy composite mirrors. H. Kim, G. Ferrelli, R. Zaldivar 11:10 POLY 611. Underlying causes of quality and dimensional stability in high-precision replicated composite optics. G. Ferrelli, H. Kim, R. Zaldivar 11:30 POLY 612. PEEK-graphene nanocomposites: Experimental properties and atomistic modeling. J.A. Maurer, T. Tsafack, A.G. Littlefield, S.F. Bartolucci

SECTION D Westin Boston Waterfront Otis

General Topics: New Synthesis & Characterization of Polymers D. Garcia, Organizer Q. R. Chu, Presiding 8:00 POLY 613. Polymerization via Pd/norbornene cooperative catalysis. K. Yoon 8:20 POLY 614. Construction of cyclobutane-containing polymer (CBP) by using [2+2] photocycloaddition. Q. Chu 8:40 POLY 615. Cyclopolymerization of N-aryl substituted diallylamines. Y. Aoyama 9:00 POLY 616. Borane chemistry in polymer synthesis. X. Pan

SECTION E Westin Boston Waterfront Grand Ballroom C

Block Polymer Synthesis & Nanoscale Self-Assembly N. Balsara, N. A. Lynd, G. Stein, C. G. Willson, Organizers C. Bates, Presiding 8:00 POLY 617. Telechelic polyetherimides and their block copolymers. G. Liu, K. Cao, D. Guo 8:30 POLY 618. Nanoscale self-assembly materials of amphiphilic random and block copolymers. T. Terashima 8:50 POLY 619. Synthesis of DNA triblock copolymer using a combination of restriction and ligation enzymes. S. Li, J. Shin 9:10 POLY 620. Bioinspired design of nanostructured elastomers to mimic mechanical properties of human skin. Z. Wang, Z. Wang, Z. Guan 9:30 POLY 621. Nanostructure control of biomimetic materials. A. Rosales 10:00 Intermission. 10:30 POLY 622. Self-assembly of peptide-polymer amphiphiles directed by metal ion coordination. A. Knight, C.J. Hawker 10:50 POLY 623. Secondary structure controlled selfassembly of di- and triblock copolypept(o)ides: From solution to template assisted self-assembly. M. Barz

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TECHNICAL PROGRAM

2:20 POLY 564. New materials inspired by antifreeze proteins to enable cell and biologic storage. M.I. Gibson 2:45 Intermission. 3:00 POLY 565. Complex, amphiphilic hyperbranched fluoropolymer poly(ethylene glycol) crosslinked networks: Unique characteristics for broad applications from antibiofouling coats, to hosts for promoted guest release, to anti-icing materials. K.L. Wooley 3:25 POLY 566. Why polymer electrolytes less conductive than liquids and inorganic solid electrolytes? Y. Shao-Horn 3:50 POLY 567. Engineered living materials. H. Liu, S. Sim, Y. Hui, D.A. Tirrell 4:15 POLY 568. Toward increased precision and efficiency in macromolecular synthesis: New strategies and enabling functions. J.A. Johnson 4:40 Concluding Remarks.

TECHNICAL PROGRAM

POLY/PMSE 11:10 POLY 624. Block copolymer self-assembly in microfluidically produced double emulsion droplets. J. Werner, U.B. Wiesner, D.A. Weitz 11:30 POLY 625. Block copolymer derived nanostructured surfaces: Templating confined surface reactions. K. Barteau, K. Oleske, L.A. Estroff, U.B. Wiesner

11:25 PMSE 7. Post synthetic modification of hypercrosslinked and Scholl-coupled polymers for improved carbon dioxide uptake and separation performance. A. Alahmed, M. Briggs, D. Adams, A.I. Cooper 11:45 PMSE 8. Porous polymers via ring opeining metathesis polymerization. Y. He, Y. Zhao, T.M. Swager

Functional Materials from Biopolymer Self-Assembly & Self-Organization

SECTION B

Sponsored by CELL, Cosponsored by CARB, COLL, ENVR and POLY

Value-Added Derivatives from Agro-Based Raw Materials New or Improved Biobased Materials or Bioprocesses Sponsored by AGFD, Cosponsored by POLY

Surface, Interface & Coating Materials New Developments in Coating Industry Sponsored by PMSE, Cosponsored by COLL and POLY

PMSE

Division of Polymeric Materials Science and Engineering E. Harth, B. Olsen, C. Snyder, X. Jia and A. Norman, Program Chairs OTHER SYMPOSIA OF INTEREST: Block Polymer Synthesis & Nanoscale Self-Assembly (see POLY, Mon, Tue, Wed, Thu) Vitrimers & Other Covalent Adaptable Networks (see POLY, Sun, Mon, Tue) SOCIAL EVENTS: Social Hour, 6:00 PM: Tue Reception, 5:30 PM: Wed BUSINESS MEETINGS: Executive Committee Meeting, 4:30 PM: Sun Business Meeting, 5:00 PM: Mon

SUNDAY MORNING SECTION A Westin Boston Waterfront Commonwealth Ballroom A

Porous Polymers Microporosity Cosponsored by POLY Financially supported by Micrometrics Instrument Corp.; Polymer (Elsevier) N. R. Cameron, W. R. Dichtel, M. S. Silverstein, U. B. Wiesner, Organizers R. Guo, N. B. McKeown, Presiding 8:20 Introductory Remarks. 8:30 PMSE 1. Rapid removal of organic micropollutants using porous cyclodextrin polymers. W.R. Dichtel, M. Klemes, L. Xiao, D.M. Alzate-Sanchez, Y. Ling, D.E. Helbling 9:00 PMSE 2. Ultrapermeable polymers of intrinsic microporosity (PIMs) for gas separation membranes. N.B. McKeown 9:30 PMSE 3. Porous organic polymer (POPs) possessing well-defined ligands as a general platform for deploying single-site heterogeneous catalysts. S.T. Nguyen 9:50 PMSE 4. Microporous ladder polymers from CANAL polymerization and their applications in membrane separation. Y. Xia 10:10 Intermission. 10:25 PMSE 5. Nanoporous lyotropic liquid crystal polymer resin that performs molecular size-selective catalytic alcohol oxidation. D.L. Gin, G.E. Dwulet, R.D. Noble 10:55 PMSE 6. Tailoring microporosity of iptycene-based polymers for separation membranes and beyond. R. Guo

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Westin Boston Waterfront Commonwealth Ballroom B

11:35 PMSE 27. Synthesis of [2.2]paracyclophane-inspired materials through ring-opening metathesis polymerization. E. Elacqua