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ACS Webinars
This month, we’ll shower you with webinars .
Please share the information below with your friends/colleagues.
You are also welcomed to include this information in your upcoming e-distribution, newsletter, and website. Lastly, if you have an event that you’d like us to promote, please send it to acswebinars@acs.org.


We are giving you the knowledge you need to close out 2012 and plan ahead. November highlights financing your startup, doctoral glut dilemma, flavor pairing for Thanksgiving,  and a reflective look at what bugs. Please review the attached flyer for information about the speakers of these exciting topics.

March Webinars:
Funding Agency Priorities for 2013 w/Bob Lees and Eric Rohlfing
Chemistry + Physics = Great Beer and A Frothy Foam w/Charles Bamforth and Steve Carlo
Perspective: The Stuff that Dreams are Made Of – Part 2 w/Neil Senturia and Barbara Bry
Chemists Celebrate Earth Day w/Andrew Jorgensen and George Heard
Using Water to Replace Organic Solvents – Switchable w/Philip Jessop and Joseph Fortunak



  NEACT Central Division Meeting
  May 13, 2017
  Framingham State University

8:30 am   Registration and Continental Breakfast   Hemenway Laboratories Atrium
9:30 am  
Dr. Vinay Mannam, Assistant Professor of Chemistry and Food Science   Hemenway Hall 312
“Why are recipes not scientific? The beauty and complexity of food science.
We will talk about chemical and nutritional changes that happen during cooking, while highlighting the role of heat in facilitating those reactions.
10:30 am  
Dr. Vinay Mannam   Hemenway Laboratories 371/372
“Intermolecular interactions in Cheese and Ice Cream”    
The workshop is geared to meet the needs of science educators working to design their own experiments in food chemistry as well as those wishing to incorporate the chemistry of food into classroom or laboratory activities. It will provide the participants with a basic understanding of the connections between chemistry and food, using milk as an example food. It includes a limited lecture with theoretical overview and hands-on activities highlighting inter-molecular interactions in milk and understanding chemical changes occurring during preparation of cheese and ice-cream. Participants will receive resources to plan their own food chemistry experiments.
12:00 pm   Lunch   Hemenway Laboratories Atrium
If planning to attend, please RSVP to Leslie Bishop
(leslie.bishop@regiscollege.edu) by May 5, 2017.
Please note if you have any food allergies.
PDPs are also available.

Link to campus map and directions:

Supporting Organizations
The Sixth Annual
Advances in Chemical Sciences Symposium
Location: Royal Sonesta Hotel
Cambridge, MA
Date: May 5th, 2017
A day-long symposium focusing on: Medicinal Chemistry, Organic Synthesis, and Methodology
Eminent scientists from industry and academia will deliver plenary lectures.

Fraser Stoddart, Nobel Laureate – Northwestern University
Stephen L. Buchwald - MIT
Sabine Hadida - Vertex
Gary Molander – U Penn
Jeremy Jenkins – Novartis
Timothy Guzi - Blueprint Medicines

Vendor Exhibition Hall and Networking reception

Symposium registration fee: $ 50.00
Students: $25

On-line registration and payment: http://www.fourwav.es/view/349/registration/ :

Alternatively send your full contact information and a check for $50 made payable to NESACS care of Dr. Ashish Saha, Treasurer, 67 Bow Street, Arlington, MA 02474

For additional details, please contact any of the Organizing Committee:

Raj Rajur, (rrajur@creagenbio.com); Mark Ashwell, (mashwellmail@gmail.com); Dan Elbaum, (ddelbaum@msn.com);
Andrew Scholte, (Andrew.Scholte@genzyme.com); Jeremy Green (jeremy_green@vrtx.com); Blaise Lippa
(Blaise.Lippa@morphictx.com); Neal Green (ngreen145@gmail.com), Mukund Chorghade, (Chorghade@comcast.net)

Use the following address for your GPS: 40 Edwin H Land Blvd, Cambridge, MA 02142: Ph:(617) 806-4200

Hot Science at the 2016 NESACS
Process Chemistry Symposium
By Luigi Anzalone, Steve Canham, Katherine Lee, Steve Mennen and Xianglin Shi
Over 180 people convened for a diverse scientific program focused on process chemistry at the annual NESACS Process Chemistry Symposium, held at the Novartis Institutes for BioMedical Research in Cambridge, MA on October 20, 2016.
The symposium showcased eight speakers, who represented academic institutions from across the United States, and biotech and pharmaceutical companies from the local scientific community: Matthew Beaver, Amgen, Inc.; Richard Braatz, MIT; Abigail Doyle, Princeton University; Eric Jacobsen, Harvard University; Albert Kwok, Biogen; Kian Tan, Novartis Institutes for BioMedical Re- search; Pete Ruggiero, Vertex Pharmaceuticals Incorporated; and Jin-Quan Yu, The Scripps Research Institute.

The program included lectures by academic speakers on cutting-edge organic synthesis methodology, catalysis, and slug-flow crystallization; and featured real-life examples from captivating speakers from industry on topics including process development, flow technology, crystallization-induced dynamic resolution, and C-H activation. The event drew attendees from over 40 companies and academic institutions.
In addition to delivering a powerful scientific program, the day-long symposium fostered many opportunities for attendees to interact with each other and for the representatives from symposium sponsor companies to connect with poential clients over breakfast, lunch and coffee breaks, as well as at a lively networking reception at the close of the day.

The 2016 NESACS Process Chemistry Symposium was made possible thanks to gracious financial support from Novartis, Amgen Inc., Biogen, Vertex Pharmaceuticals, Johnson Matthey, SK Life Science, DavosPharma, Millipore Sigma, Mettler Toledo, Navin Fluorine, PCI Synthesis, Strem Chemicals, Inc., and Pharmacore.

The symposium committee would like to thank Novartis for hosting the symposium, and dedicated individuals including Anna Singer, Jim Piper, Ken Drew, Rebecca Johnson, Allie Roper, Karen Briner, Scott Plummer, Pete Delgado, Angie Angeles, Michael Humora, Adam Looker, Don Walker, and Elaine Lee for helping to make the symposium a success.
We are pleased to note that the 2015 NESACS Process Symposium garnered a 2016 ACS ChemLuminary Award for Best Industry Event.
Mark your calendars – October 12, 2017 – for the 2017 NESACS Process Chemistry Symposium, to be held at Amgen, Inc., Cambridge, MA. Confirmed speakers include Stephen Buchwald, MIT; Sarah Reisman, California Institute of Technology; Richmond Sarpong, University of California at Berkeley; and Corinna Schindler, University of Michigan.

BAGIM Events
Webinar: Advanced Informatics for ADCs
Wednesday, April 26, 2017
Time Slots:
1. 9:00AM-9:45PM (ET)
2. 2:00PM-2:45PM (ET)

Antibody-Drug Conjugates (ADCs) is a highly contested area in drug discovery and development. There are currently more than 50 clinical programs across pharmaceutical and biotech companies. This exciting field has seen significant advancements in various aspects of ADCs (linkers, payloads and antibodies) in the last 20-30 years. However, it remains a challenge for database systems to handle ADCs effectively and efficiently due to the complexity of such molecular entities. In this webinar, we will discuss how ADCs and their components are managed in Scilligence’s integrated informatics platform using our proprietary technology or HELM (Hierarchical Editing Language for Macromolecules) invented at Pfizer.

About the Speaker:
Dr. Jinbo Lee, Scilligence's CSO, is an expert in research informatics with extensive experiences in drug discovery and development. As the prior Head of Chemistry at Ensemble Therapeutics, he was responsible for medicinal, process, and analytical chemistry; molecule modeling; and cheminformatics. Dr. Lee has many publications in prestigious scientific journals and holds a number of patents.

Dotmatics Users Group Meeting
Tuesday, May 2, 2017
Boston Museum of Science
1 Science Park
Boston, MA 02114

Dotmatics will be holding a number of User Group Meetings and seminars in 2017. Join us to see presentations from our customers, hear from our expert team and network with your peers.

See https://www.eventbrit...­ to register

Dr. Todd Martinez
Wednesday, May 3, 2017
Vertex Pharmaceuticals
50 Northern Ave.
Boston, MA 02114

Dr. Todd J. Martinez, of Stanford University, will present "Quantum Chemistry and Ab Initio Molecular Dynamics on Graphical Processing Units" on Wednesday, May 3rd, 2017, at Vertex Pharmaceuticals.  Dr. Martinez will present at 7pm, but networking and refreshments will precede the talk starting at 5:30pm.
Please RSVP with your full name to help us plan for the event and to help speed security check in.

Solution of the electronic structure problem (often known as “quantum chemistry”) is a critical step in much of chemical simulation. For example, quantum chemistry is required to fit parameters for empirical force fields and also for ab initio molecular dynamics approaches which eschew force fields altogether. The recent introduction of stream processors such as graphical processing units (GPUs) promises to accelerate quantum chemistry calculations. We provide an overview of the differences between GPUs and conventional CPUs and discuss how quantum chemistry algorithms can be redesigned to use GPUs effectively. We show that accelerations of up to three orders of magnitude can be achieved (relative to conventional CPU implementations) by exploiting GPUs with redesigned algorithms. Several applications enabled by these advances are discussed, including an assessment of the size of QM regions needed to achieve convergence in QM/MM methods. Finally, we discuss the ab initio nanoreactor, which uses GPU-enabled ab initio molecular dynamics to discover reaction networks. We present the overall concept of the nanoreactor and some first applications to complex reaction networks in combustion and prebiotic chemistry.

Scilligence Spring Workshop and Networking Event

R&D Informatics Insights: Spring Workshop and Networking Event!
May 22, 2017, from 10am-3pm
MassBio Conference Room
300 Technology Square, 8th Floor, Cambridge, MA 02139

Come and enjoy a day of discussions, lunch, raffles, and networking with fellow professionals in biotech and pharma! Learn how informatics can improve security, knowledge sharing, collaboration, and the latest in R&D informatics innovation. Leave the event with new informatics insights from speakers in the life science industry.
Special presentations about HELM (Hierarchical Editing Language for Macromolecules) and Scilligence's new Clinical Sample Management System!

Speakers From:
  • Novartis
  • ImmunoGen
  • Ipsen
  • Inception Sciences
  • Scilligence
  • and more to be announced!

BioIT World Conference: Digging Bioactive Chemistry Out of Patents Using Open Resources
Tuesday, May 23, 2017
Seaport World Trade Center
Boston, MA

This Workshop Will:
  • Outline the statistics of patent chemistry in various open source
  • Introduce a spectrum of open resources and tool
  • Enable a deeper understanding of target identification, bioactivity and SAR extraction from patents and also paper
  • Show ways to engage with medicinal chemistry patent mining
  • Include hands on exercises
The focus will be on public databases and patent office portals, since these can be transparently demonstrated. However, discussions of complementarity with commercial resources are not precluded. In addition, while the main focus is on data rather than IP aspects, those engaged in competitive intelligence will also find the course relevant.

The start will be at 8:00 with a 9:45 coffee and social break of 30 mins. The room session will close at 11:30 but speakers will be available afterwards for discussion/questions/beers. Rather than declare strict presentation timings at this stage (and maintain some flexibility to modify according to attendee interests) it is intended to cover the following topics:
  1. Brief introductions from instructors and attendee expectations
  2. So how much data is there in patents compared to papers?
  3. The tricky bits, patent numbers, families, Kind Codes and obfuscation
  4. Patent counting and the C07/A61 join
  5. Challenges of recognising and extracting chemistry from patent text
  6. Specificity issues with retrieving target and diseases
  7. Documents, assays, results chemistry and proteins (D-A-R-C-P): getting it together
  8. The big join between patents in SureChEMBL, papers in ChEMBL and both in PubChem
  9. Introducing DIY tools, OPSIN (name-to-structure), OSRA (image-to-structure) chemicalize (name-to-structure) and others (hands on exercise)
  10. Can you find patents for your targets of interest? (exercise)
  11. Can you find chemistry against these targets? (exercise)
  12. Wrap-up discussion

Christopher Southan (B.Sc., M.Sc., and Ph.D.) is a Senior Cheminformatican for the IUPHAR/BPS Guide to PHARMACOLOGY database (GtoPdb) at Edinburgh University, working remotely in Sweden for the team since 2013. Prior to this he set up TW2Informatics for contract work on patent informatics for SureChem and the AstraZeneca (AZ) Chemistry Connect project. In 2008/9 he coordinated the ELIXIR Database Provider Survey at EBI; in 2004-7 was a Team Leader in AZ Molecular Sciences, preceded by senior bioinformatics positions at Oxford Glycosciences, Gemini Genomics, and SmithKline Beecham. His papers, retrievable via “Southan C” in PubMed, include “Expanding opportunities for mining bioactive chemistry from patents” (PMID: 26194581) and “Analysis of in vitro bioactivity data extracted from drug discovery literature and patents” (PMID: 21569515).
Daniel Lowe, (BSc., Ph.D.) joined NextMove Software, Cambridge, UK in 2012 as a Senior Software Engineer. He primarily works on LeadMine text mining software to extract information from documents, including structures and targets from patents. He did his Ph.D. at the University of Cambridge. Under Professors R. Glen and P. Murray-Rust he worked on Open Parser for Systematic IUPAC Nomenclature (OPSIN) and the automated extraction of reactions from patents. His recent papers, retrieved via “Lowe DM” include “Big Data from Pharmaceutical Patents: A Computational Analysis of Medicinal Chemists' Bread and Butter” (PMID: 27028220) and “Chemical name to structure: OPSIN, an open source solution” (PMID: 21384929)
Paul Thiessen (BSc., Ph.D.) has been a Staff Scientist at National Institutes of Health since 1999. He has worked in the NCBI PubChem team on a variety of projects related to cheminformatics, bioinformatics and computer graphics. This includes work on Cn3D, aspects of chemistry in PubChem, database management, XML, and web services (SOAP and REST). He also looks after patent number indexing from different PubChem sources. His papers, retrievable via “Thiessen PA” include “PubChem BioAssay: 2017 update” (PMID: 27899599) and “Literature information in PubChem: associations between PubChem records and scientific articles” (PMID: 27293485).

See job opportunities on the BAGIM Message Board
BAGIM is sponsored by Scilligence, Silicon Therapeutics, Acellera, Cyrus Biotechnology, DNASTAR, OpenEye Scientific Software, Schrodinger, Chemical Computing Group, ARIAD Pharmaceuticals, Vertex Pharmaceuticals, the Cambridge Crystallographic Data Centre, Optibrium, Dassault Systemes, Dotmatics, LabAnswer, and ChemAxon.

Report from Binghamton: NERM 2016

Morton Z. Hoffman, Chair, NERM Committee,

and NESACS Representative to NERACS [hoffman@bu.edu]
Facing west along the Chenango River, a tributary of the Susquehanna
With almost 950 registrants, including high school teachers and students, and more than 640 abstracts, the 41st ACS Northeast Regional Meeting (NERM 2016; Chemistry at the Crossroads of Energy and Life), which was hosted by the Binghamton Local Section in celebration of its 75th anniversary, took place on October 5-8 at the DoubleTree Hotel in downtown Binghamton, NY.  The full program of the meeting is available online at <http://nerm2016.sites.acs.org/>.
Among the registrants were approximately 400 undergraduates, graduate students, and postdoctoral research associates.  The General Chair for NERM 2016 was Wayne Jones (SUNY Binghamton); Christof Grewer and Nik Dimitrov, also of Binghamton University, were the co-Program Chairs.
In attendance at NERM were members of the ACS Board of Directors (Laura Pence: District I; Ingrid Montes, Dorothy Phillips, and Kathleen Schulz: At-Large) and Allison Campbell, ACS President-Elect.
The meeting started on Wednesday afternoon with a keynote lecture by Susan Band Horwitz of the Albert Einstein College of Medicine, Yeshiva University, on “Taxol, Tubulin and Tumors: A Study in Drug Development,” which was followed by the opening night social mixer, graduate school fair, exposition with 20 exhibitors, and poster sessions, including those for undergraduate research.  The next three days were filled with many symposia, technical sessions, and workshops.
Catherine Rawlins (Northeastern University), Chair of the Northeastern Section Younger Chemists Committee (NSYCC), organized a symposium on “Navigating ACS and Your Career: A Guide for Young Chemists” that featured talks by Jens Breffke (NIST), Glen Labenski (Ortho Clinical Diagnostics), Dan Sykes (Pennsylvania State University), Jennifer Maclachlan (PID Analyzers), and Thomas Gilbert (Northeastern University).
In addition, Jennifer Maclachlan organized a two-session program of oral presentations on “Small Chemical Businesses,” and gave two talks.  This reporter spoke in a chemical education session about collaborations in the Middle East facilitated by the Malta Conferences.
Mindy Levine (University of Rhode Island, NESACS Chair-Elect Designate) was the featured speaker at the Women Chemists Committee Luncheon on Thursday; the title of her talk was, “Balancing the Equation of Professorship, Parenting, and Personal Satisfaction as a Female Chemistry Professor.”
At the Awards Banquet on Friday night, Allison Campbell spoke about her personal history that led to her present position as Associate Laboratory Director for Earth and Biological Sciences at the Pacific Northwest National Laboratory.  NESACS was then recognized with three honors. 
The E. Ann Nalley Northeast Region Award for Volunteer Service to the ACS was presented to Jack Driscoll (PID Analyzers); the Stanley C. Israel Regional Award for Advancing Diversity in the Chemical Sciences went to Mindy Levine.  The Green Chemistry Commitment: Beyond Benign, Inc., of Wilmington, MA, and the local colleges and universities that collaborate in the program won the Marinda Wu Partners for Progress and Prosperity-Northeast P3 Award.  In addition, Tracy Suggs (Vestal, NY, Senior High School) received the ACS Division of Chemical Education Northeast Region Award for Excellence in High School Teaching; the award consisted of a plaque and a check from CHED of $1,000.
NERM 2016 took place in conjunction with the 28th Electronics Packaging Symposium and Workshop.

NERACS Board Meeting
The Board of Directors of the Northeast Region of the ACS, Inc. (NERACS) met on Saturday morning during NERM.  Serving on the NERACS Board are representatives of the constituent local sections in the Northeast Region (Binghamton, Central Massachusetts, Central New York, Connecticut Valley, Cornell, Corning, Eastern New York, Green Mountain, Maine, Mid-Hudson, New Haven, Northeastern, Northern New York, Penn-York, Rhode Island, Rochester, Western Connecticut, Western New York) and its officers (Chair: Anthony Noce, Eastern New York; Vice Chair: Willem Leenstra, Green Mountain; Secretary: Alyssa Thomas, Central New York; Treasurer: Wayne Jones, Binghamton).
Also in attendance at the meeting were Laura Pence (ACS District I Director) and Dorothy Phillips (ACS Director-at-Large).
The Board reelected Alyssa Thomas as Secretary and Wayne Jones as Treasurer for two-year terms (2017-18).
Treasurer Jones reported that the total net assets of NERACS are now slightly less than $68,000 as a result of the return of the seed loan for NERM 2015 and a return of approximately $9,100 (40% of the surplus) from that meeting last year at Ithaca College.
Wayne Jones reported that NERM 2016 was on track to bring in more than $100,000 in revenue; however, expenses were proving to be higher than budgeted.  A surplus of approximately $15,000 is anticipated, from which 40% will return to NERACS.
A special task force presented revisions to the NERACS by-laws for approval by the Board, which was so voted.  The new document will be posted on the NERACS website <http://neracs.sites.acs.org/>.
This reporter provided information about the Atlantic Basin Conference on Chemistry (ABCChem, formally AtlantiChem) from the International Activities Committee meeting in Philadelphia in August.  The conference, which will be sponsored by ACS, EuCheMS, Canadian Society for Chemistry, Mexican Chemical Society, and other partners, will take place on January 24-27, 2018, at the Iberostar Resort in Cancun, Mexico with an overall theme of “Materials and Nanochemistry.”  Approximately 500 scientists are expected to attend.
Plans for the Eastern New York Local Section to host NERM 2017 have fallen through, so no meeting will be held that year.  Because of ABCChem and the ACS national meeting in Boston in 2018, no NERM will be held that year either.  The Rochester Local Section has expressed interest to host the meeting in Fall 2019, and the Green Mountain Local Section is considering holding a meeting in Burlington, VT, in Spring-Summer 2020.  Inasmuch as the ACS Fall 2021 national meeting has been moved from Boston to Atlanta, the question was raised again as to whether NESACS would be interested in hosting NERM that year, possibly in New Hampshire jointly with the Maine Local Section or on on/near Cape Cod together with the Rhode Island Local Section.
The next annual meeting of the NERACS Board will take place at noon on Tuesday, August 22, 2017, in Washington, DC, on the occasion of the ACS national meeting.

More News and Information
January 2013 Meeting Report
Reflecting on the International-Domestic Student Summit