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ACS OPERATIONS OFFICES

San Diego Convention Center

(Room 14B):

619-525-6208

Hilton San Diego Bayfront Sapphire (410B):

619 -321-2893

Hilton Gaslamp Quarter (Coronado Room):

619-702-8298

Manchester Grand Hyatt (Show Office 6):

619-358-6870

Marriott Marquis San Diego Marina (Encinitas):

619-645-6920

Omni San Diego Hotel (Boardroom 1):

619-770-1720

Westin San Diego (Ivory Room):

619-338-3652

US Grant (Chaffee Court):

619-744-2092

INFORMATION CONTACTS

Attendee Registration, San Diego Convention Center, Lobby D:

619-525-6219

Career Fair Information Center, San Diego Convention Center, Hall A:

619-525-6224

Exhibitor Registration, San Diego Convention Center, Lobby C:

619-525-6221

Finance Office, San Diego Convention Center, Box Office E:

619-525-6218

Host Local Section Booth, San Diego Convention Center, Lobby D:

619-525-6225

Member Services, San Diego Convention Center, Lobby D:

619-525-6228

Press Center, San Diego Convention Center, Room 16B:

619-525-6215

Shuttle Desk, San Diego Convention Center, Box Office A:

619-525-6226

Society Program Office, Hilton San Diego Bayfront, Sapphire 410 A:

619-321 6543

Governance Office, Hilton San Diego Bayfront, Sapphire 400 A/B:

619-321-6541

ACS OFFICERS

Donna J. Nelson, President

Allison A. Campbell, President-Elect

Diane Grob-Schmidt, Immediate Past President

Pat N. Confalone, Chair, Board of Directors

Thomas M. Connelly, Executive Director & CEO

Flint H. Lewis, Secretary & General Counsel

Brian A. Bernstein, Treasurer & CFO

American Chemical Society

1155 16th Street, NW, Washington, DC 20036

Tel: 800-227-5558 (US only) or 202-872-4600

Fax: 202-872-4615 E-mail: help@acs.org Website: 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 scientifc 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. This On-site Meeting Program is published by the American Chemical Society 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 251st National Meeting & Exposition, refer to www.acs.org/sandiego2016. All San Diego photos in this program are courtesy of the San Diego Convention and Visitors Bureau and Shutterstock.

TABLE OF CONTENTS

ACS President"s Welcome ..............................................6

Thematic Organizer"s W

elcome .......................................7 Go vernor"s Welcome Ma yor"s Letter

General Meeting Information

Registration .............................................................16 Accommodations .....................................................17 Travel & Transportation .............................................20 Member Services .....................................................20 On-Site Arrangements ..............................................21

Governance & Business Meetings

Board of Directors & Council Meetings ......................26 Division Officers & Councilor Caucus Meetings ..........26 Governance Committee Meetings & Agendas .............26 Division Meetings & Social Events ............................30

Social & Educational Events

Presidential Event ....................................................36 Awards ...................................................................36 Student & Educator Activities ..................................39 Social & Ticketed Events .........................................41 Workshops .............................................................45 ACS Career Navigator ..............................................46 ACS Career Fair ......................................................46 ACS Professional Educational Short Courses ............47 Leadership Development System Course Offerings ....47 Exhibitor Workshops ...............................................48

Technical Program Summary

Speaker Instructions ................................................51 Abstracts & Preprints ...............................................51 Technical Program Summary .....................................55

Full Technical Program

How to Read the Techinical Program ..........................74 Index of Organizing Groups .......................................75 Technical Program (Listing of Papers) ........................76

Exposition

Exposition Highlights ..............................................301 Exhibitor Directory (Listing of Exhibitors) ..................302 Exposition Floor Plan ..............................................317 Author Index ..........................................................319

Attendee Resources

Floor Plans

(Convention Center & Meeting Hotels) .....................320

Acknowledgements &

Thank You to Our Volunteers

...................................347

Official ACS Properties & Shuttle Schedule

(Addresses, Phone Numbers & Map)........................ 348

ACS Volunteer/National Meeting

Attendee Conduct Policy

251st American Chemical Society

National Meeting & Exposition

T wenty-nine technical divisions and five com- mittees are hosting original programming based on the meeting theme of Computers in

Chemistry. More than 12,000 papers will be pre-

sented, and nearly 5,000 poster presentations will take place at the meeting. As well, there are a number of special events planned throughout the meeting. The ACS Board of Directors Regular

Meeting will be an opportunity to hear Amy Har-

mon, New York Times National Correspondent, talk about 'Telling Science Stories: Dispatch from a Conflict Zone." Please join your colleagues from noon to 1:00 p.m. in Room 20D of the San Diego

Convention Center.

The presidential programming promises excellent science as well as opportunities to become involved in discussions and community efforts to address member concerns. On Sunday afternoon, "Discussions with the President"s Task Force on Employment" will present speakers from academe, govern- ment, and industry reporting the results of last year"s efforts on topics pertinent to unemployment in the chemical sciences. Representatives from publishers of comprehensive undergradu- ate organic chemistry textbooks will speak Monday morning addressing the question "Is there a Crisis in Organic Chem- istry? They will discuss changes in organic chemistry prereq- uisites, current teaching methods, and responses of organic chemistry programs, professors, and requirements. Monday afternoon, researchers will present their demographic data, disaggregated by race and gender, on various sectors of the chemical sciences in a symposium titled "Diversity - Quantifi- cation - Success." In order to encourage community efforts to address member concerns in each of these three areas, there will be corresponding contributed Presidential posters sessions on Sunday evening, and on Monday evening during Sci-Mix. All of the above programming was designed to respond to the concerns of ACS members. Therefore, members now have the opportunity to address these community concerns by attending and participating in the discussions. "How to Foster Diversity in the Chemical

Sciences: Lessons Learned and Taught from

the Stories of Recipients of the Stanley C.

Israel Award" promises ideas and inspira-

tion for increasing diversity in our communi- ties. Finally, the Dreyfus Award Symposium will honor its most recent recipient of this award, Krzysztof Matyjaszewski, by focus- ing on "Making Molecules and Materials."

Details of these symposia can be found at

www.acs.org/sandiego2016.

On Monday afternoon, Dr. Rommie Amaro,

Associate Professor of Chemistry and Bio-

chemistry at the University of California, San Diego will deliver The Kavli Foundation Emerging Leader in Chemistry Lecture on 'Computing Cures: Enabling Chemical Discovery through the Lens of a Computational Microscope." Dr. Emily Carter, Founding Director of the Andlinger Center for Energy and the Environment at Princeton University then will give the The Fred Kavli Innovations in Chemistry Lecture (San Diego Convention Center, Ballroom 20 A-C) on 'Quantum Solu- tions for a Sustainable Energy Future." A range of professional development classes will be available; ACS Short Courses have a separate registration and fee. Job seekers can meet and interview with potential employers at the ACS Career Fair, find one-on-one career assistance, and pick among more than 20 career workshops. The exposition will feature more than 250 companies that will showcase services, instruments, books, lab equipment, and much more in more than 400 booths. I express thanks to members of the San Diego Local Section, the Committee on Meetings and Expositions, the divisional program and symposium chairs who organized the technical sessions, ACS staff, and thanks to all of you for attending.

Donna J. Nelson

ACS President

PHOTO: DAVID MCNEESE.

Welcome to San Diego and the

251st ACS National Meeting

Donna J. Nelson

ACS President

Welcome Message from Kenneth Merz, Jr.,

San Diego Thematic Program Chair

Kenneth Merz, Jr.

San Diego Thematic

Program Chair

T he 251st ACS National Meeting, (San

Diego, March 13-17), will showcase the

impact and role of Computers in Chemistry.

Computers have had a transformative effect

on the chemical sciences impacting areas from data acquisition and storage to the design of novel materials. With the ever-in- creasing performance of computers in terms of networking, central processing unit (CPU) performance to data storage capabilities the role of computers and computation in our common field of Chemistry will continue to grow in the coming years. Through MPPG or- ganized symposia and collaborative sessions with a broad range of ACS Divisions the im- pact of computers in the chemical sciences, both in the past and in the future, will be highlighted. The plenary session, on Sunday afternoon, March 13, will inaugurate the theme with four invited lectures: Prof. Sharon Hammes-Schiffer (UIUC) will discuss her studies on proton- coupled electron transfer in catalysis and energy conversion; Prof. Bill Jorgensen (Yale, University) will present an overview of challenges and future opportunities in computer-aided drug design and discovery; Prof. David Baker (University of Washing- ton) will discuss his lab"s innovative computational and experi- mental work on designing proteins with specific structures and functions; and Prof. George Schatz will describe his compu- tational work focused on the use of self-assembly to design functional materials The afternoon of Monday, March 14 the Fred Kavli Innovations in Chemistry Lecture will be delivered by Prof. Emily Carter (Princeton University) "Quantum Solutions for a Sustainable Energy Future" and will be coupled with the Kavli Foundation Emerging Leader in Chemistry Lecture, "Com- puting Cures: Enabling Chemical Discovery through the Lens of a Computational Microscope" which will be delivered by Prof.

Rommie Amaro.

Coupled with the exceptional technical program constructed by the ACS divisions that includes both topical sessions and sym -posia honoring the winners of ACS awards,

MPPG and partner divisions will add multiple

half and full day symposia focused on the role of Computers in Chemistry. The choice of possible session topics was immense, but

MPPG will focus on five contemporary areas

where computation is having a broad impact:

Computer-aided Drug Design will discuss the

current and future impact of computation on drug discovery and design; Big Data Science will explore the role of computation in deal- ing with the explosion of data available to chemical and allied fields; Computational

Materials and Nanoscience will examine the

role of computation in understanding the structure and function of novel materials as well as the design of novel materials with unique functions; Multiscales Chemistry will explore the theoretical challenges involved in moving from molecular to macroscopic assemblies; and last, but not least, the session on Preparing for the Real World: Challenges Faced by Young Investigators will provide timely advice and insights to young investigators (both in com- putational and experimental fields) as they transition from the Ph.D. to the postdoc to the first permanent job. The session chairs for each of these topics are listed as well and without their tireless help the sessions organized under the MPPG banner would not of been possible. Along with these five MPPG sponsored sessions there are a broad range of joint session between MPPG and a number of divisions that will further high- light Computers in Chemistry. • Computer-aided Drug Design: Prof. Rommie Amaro (UCSD), Dr. Kate Holloway (Merck) and Dr. Hanneke

Jansen (Novartis).

• Big Data Science: Prof. Alex Tropsha (UNC) and Prof.

Brian Shoichet (UCSF).

CONTINUED ON PAGE 6

Welcome Message from Kenneth Merz, Jr., San Diego Thematic Program Chair

CONTINUED FROM PAGE 5

T Computational Materials and Nanoscience: Theory

Meets Experiment: Prof. Alan Aspuru-Guzik (Harvard), Dr. Sergei Tretiak (Los Alamos National Laboratory) and

Prof. Oleg Prezhdo (USC).

T Multiscales Chemistry: Prof. Sharon Hammes-Schiffer (UIUC) and Prof. Rigoberto Hernandez (Georgia Tech). T Preparing for the Real World: Challenges Faced by Young Investigators: Prof. Sereina Riniker (ETH), Prof. Ben Levine (MSU), Prof. Dominika Zgid (UM) and Dr. Whitneyquotesdbs_dbs14.pdfusesText_20

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