SMASH 2008 Conference Preliminary Program
La Fonda Hotel
Santa Fe, New Mexico

 

Sunday    September 7th
             
             
             
             

4:30

PM

-

6:00

PM

Registration

6:00

PM

-

8:00

PM

Dinner

8:00

PM

-

11:00

PM

Mixer

Monday    September 8th
8:15 AM - 8:30 AM Opening Remarks
8:30 AM - 10:00 AM New Experimental NMR Techniques
Krish Krishnamurthy, Lilly, USA

TBA
Gary Martin, Schering Plough, USA

TBA
Eriks Kupce, Varian, U.K.

TBA
Steve Reynolds, Oxford, U.K.
10:00 AM

-

10:30 AM Break
10:30 AM - 12:00 PM Structure Elucidation of  Natural products and Organic Molecules
Bill Reynolds, University of Toronto, Ca

Qualitative and Quantitative NMR Fingerprints of Small Natural Molecules
Guido F. Pauli, University of Illinois at Chicago, USA

The Virtue of the Impure: Chemical Biology of Natural Products Using Direct NMR
Frank C. Schroeder, Cornell University

The Utility of Coupled HSQC Spectra for Determining the Identities of Sugar Units in 1H NMR - Spectrally Crowded Saponins
Eugene P. Mazzola, University of Maryland-FDA Joint Institute, USA

  12:00 PM - 1:30 PM Lunch
  1:30 PM - 3:00 PM Metabolomics
Greg Leo, J&J, USA

Metabolomics Methods Applied to Beverages:  The Case of "Beer-omics"
Istvan Pelczer, Princeton University, USA

Advanced NMR-Based Metabolomics Methods for Improved Disease Biomarker Discovery
Daniel Raftery, Purdue University, USA

Boosting the Sensitivity of NMR by DNP for Small Molecule Applications
Ulrich Günther, University of Birmingham, U.K.
3:00 PM

-

3:30 PM Break
3:30 PM

-

5:00 PM Workshops (concurrent)

Best Practices in the Industrial NMR Setting
Edward Zartler , Merck, USA; Steve Le Plante, BI, USA

Process and Reaction Monitoring
Brian Marquez, Pfizer,USA

5:00 PM

-

6:00 PM Free Time
6:00 PM

-

6:30 PM Social Gathering
6:30 PM

-

9:00 PM Dinner
   After Dinner Speaker:
William Reynolds, University of Toronto
   From the Frozen Wilds of Northern Manitoba to the Ancient Ruins of
   Mexico; A Forty Eight Year NMR Odyssey
9:00 PM

-

11:00 PM Mixer
Tuesday    September 9th
8:30 AM - 10:00 AM NMR of Carbohydrates
Daron I. Freedberg, F.D.A., USA

 

Conformational Studes of Oligosaccharides and Analogues By NMR Spectroscopy
Goran Widmalm

The Stereochemical Dependence of Scalar 15N-1H Coupling Constants in Amino Sugars
Bruce Coxon, N.I.H., USA

Structures of Chondroitin Sulfate Oligomers from RDCs and CSA Offsets
James Prestegard, University of Georgia, USA
10:00 AM

-

10:30 AM Break
10:30 AM - 12:00 PM Techniques and Characterization Methods in 19F NMR
Elizabeth McCord, Dupont, USA

1, 2, 3, Many;  Approaches to F19-C13 Correlation
Bruce Adams, Merck, USA

Practical Aspects of Selective 19F Homonuclear Multidimensional NMR
Peter L. Rinaldi  University of Akron, USA

Fluorine NMR versus Fluorescence Spectroscopy for Fragment-Based Screening
Claudio Dalvit, CNIO (Spanish National Cancer Research Center), Spain
  12:00 PM - 1:30 PM Lunch
  1:30 PM - 3:00 PM Computer Aided Structure Identification
Brent Lefebvre, ACD Labs, Canada

CASE Systems: A Review of the Last 40 Years
Mikhail Elyashberg, Russian Academy of Sciences, Russia

An In Silico Approach to Rational Antipsychotic Drug Design using Spectral Data Activity Relationship
Richard Beger, National Center for Toxicological Research

Computer Aided (Additivity) Chemical Shift Prediction in Multiply Halogenated Organics Using an Excel Visual Basic Program
Richard Newmark
3:00 PM

-

3:30 PM Break
3:30 PM

-

5:00 PM Workshops (concurrent)

Structural Elucidation Pitfalls
William Reynolds, University of Toronto, Canada

Cryoprobes
Kim Colson, Bruker-Biospin, USA

5:00 PM

-

6:00 PM Free Time
6:00 PM

-

7:30 PM Dinner
8:00 PM

-

10:00 PM Poster Session & Mixer
10:00 PM

-

11:00 PM Mixer
Wednesday    September 10th
8:30 AM - 10:00 AM NMR of Less Common Nuclei
Dave Lankin, University of Illinois at Chicago, USA

Phosphorous NMR Insights on Novel Inositol Sugars and Phosphoglycolipids from Gram-Negative and Gram-Positive Bacteria
Anthony Ribeiro, Duke University, USA

29Si NMR of Small Molecules and Oligomers
Thomas H. Scholz, Dupont , USA

31P NMR Discovers a Sex–Specific Metabolite
Rob Kleps, University of Illinois at Chicago
10:00 AM

-

10:30 AM Break
10:30 AM - 12:00 PM Student and Post-Doctoral Session
George Furst, University Pennsylvania., USA

 

 

TBA

 

 

TBA

 

 

Xenon-129 NMR Biosensors for Cellular Imaging
P. Aru Hill, University of Pennsylvania, USA
12:00 AM - 12:15 PM Closing Remarks
  12:15 PM       Box Lunches

Smash 2008 Executive Committee

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