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SMASH 2016 Preliminary Conference Program

Session Topics:

  • Putting NMR on the table – Low fields and Benchtop NMR
Chair - Mark Dixon, Thermo Scientific

 "Low-field and bench-top instrumentation pair the power of pulsed FT-NMR with the need for portable, low-cost, and on-line analysis on a wide variety of samples. From pharmaceuticals to food science to petroleum research and bulk chemicals, this is a vibrant and growing area of NMR application." 

Confirmed Speakers:

Paul Bowyer, Magritek Inc.
Susanne Riegel, Nanalysis Corp.
 
  • Getting More out of Less – Data Processing and Software
Chair - Frank Delaglio, NIST

 "Increasing adoption of alternative sampling strategies is driving one of the largest paradigm shifts in NMR principles and practice. New and robust methods are available to more efficiently sample signals and to extract the maximum information from them. This session features the latest methods and applications that are enabling new science in small molecule and natural products NMR." 

Confirmed Speakers:

Dennis P. Anderson, Pfizer Inc., "Practical applications of non-uniform sampling for 2D-NMR in the pharmaceutical industry."
Craig Butts, University of Bristol, "Burst non-uniform sampling in NMR experiments - EXACTly why would you leave holes in your FID?"
 
  • Simple Molecules, Mixtures and Complex Data
Chair - Robert Powers, Univ. Nebraska Lincoln

 "The rapid deployment of NMR spectroscopy to help address important problems spanning food safety to metabolomics has led to a resurgence of interest in the foundations of NMR measurements on complex mixtures. This session highlights emerging work to delineate the limits of quantitative measurements and develop new methods to improving the robustness and fidelity of one of the most high-profile applications of NMR of the last few years." 

Confirmed Speakers:

Rafael Brüschweiler, Ohio State University, "Recent progress in NMR-based and nanoparticle-assisted metabolomics."
Daniel Raftery, University of Washington, "New methods in metabolomics and applications to colon cancer."
 
  • How Low Can You Go – Pushing the boundaries of Sensitivity and Low-Gamma
Chair - Gary Martin, Merck & Co.

 "Detection levels are being continually pushed lower for low sensitivity nuclei. Improvements in pulse sequence designs and probe capabilities are facilitating access to very long-range correlation data and to intrinsically insensitive experiments involving natural abundance 13C-13C or even 13C-15N transfer. Historical sensitivity barriers to the utilization of techniques are falling. Experiments that once took samples of >10 mg can now be performed on 1 mg or less. For more conventional heteronuclear 2D experiments, sample requirements have fallen to a few micrograms. This session will highlight techniques incorporating advances in pulse sequence design and probe technology to solve “real world” problems." 

Confirmed Speakers:

Steve Cheatham, DuPont, "Unambiguous Assignment of the Configuration of Oximes and Related Compounds using 1H-15N and 13C-15N Coupling Measurements at Natural Abundance."
Professor Tadeusz (Ted) Molinski, UCSD
 
  • Making it crystal clear - Solid State NMR
Chair- Joe Lubach, Genentech

 "Find out why solid-state NMR is such an endearing technique in the pharmaceutical sciences. With unique and ever-expanding capabilities, from probing local structure, efficiently quantitating solid form mixtures, to analyzing crystal forms in a formulation, this highly valued tool is also currently being transformed by emerging technologies." 

 Confirmed Speakers:

Aaron Rossini, Iowa State University
Yongchou Su, Merck & Co.
 
  • Work smarter not harder: NMR Structure Elucidation and Emerging Methods
Chair - Gary Sharman, Eli Lilly

 "One might say that structure elucidation is the ‘bread and butter’ of NMR spectroscopists. Most of us have probably done it at some point, but sometimes it seems like not much has changed in recent years. So what is new? What new ways are there to approach structural problems, what are the killer new experiments, or what new methods of analysis are there? In this session we aim to find out." 

Confirmed Speakers:

Mikhail Reibarkh, Merck & Co., "Structure elucidation of 13C labeled small molecules: advantages and challenges."
Andrei Kutateladze, University of Denver, "Relativistic force field: structure elucidation made easy with fast and accurate computations of nuclear spin-spin coupling constants."
 
  • Carrying the load: small molecule NMR of Antibody-Drug Conjugates
Chair - Janet Caceres-Cortes, Bristol-Myers Squibb

 "The promise of Antibody-Drug Conjugates (ADCs) rests on the ability to selectively deliver drugs to their intended sites of action. Accomplishing this relies heavily on analytical techniques which are key to understanding the different constituents of these biopharmaceuticals (antibody, drug payload, linker), how those components come together to form a therapeutically active agent, how they are formulated and delivered, and how they selectively carry the drug payloads to their cellular targets. NMR can offer key insights to many of these questions and help broaden our understanding of these complex drugs." 

Confirmed Speakers/Talks:

Leszek Poppe, Amgen, "Profiling monoclonal antibodies by 1H NMR spectroscopy."
 

Workshops:

  • Non-uniform sampling and why you should already be doing it.
    (Coordinators: Dave Rovnyak, Bucknell; Frank Delaglio, NIST)
  • How to validate an NMR in a regulatory world
    (Coordinator: Dave Detlefsen, Novatia)
  • Solvent suppression, and all the various ways to do it
    (Coordinator: Ron Crouch, JEOL and Eric Johnson, Bruker)
  • Chiral methods and applications
    (Coordinator: Tom Wenzel, Bates College)