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

Download PDF Program

Sunday    September 7th
 

8:30

AM

-

3:30

PM

Bruker User Conference, La Fonda Hotel, New Mexico Room
 

9:00

AM

-

3:40

PM

Varian, Inc. User Meeting, La Fonda Hotel, Santa Fe Room
 

12:30

PM

-

4:30

PM

ACD/Labs NMR Software Symposium, La Fonda Hotel, La Terraza Room
 

2:00

PM

-

5:00

PM

Mestrelab User Meeting, La Fonda Hotel

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

Covariance NMR Processing: Fundamentals, Applications, and Challenges
Bruce Hilton, Schering Plough, USA

NMR with Multiple Receivers
Ēriks Kupče, Varian, U.K.

Development of DNP Instrumentation for Small Molecule Applications
Steve Reynolds,
Oxford Instruments Molecular Biotools Ltd, 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)

Solid State Workshop
Eric Munson, University of Kansas

Process and Reaction Monitoring
Brian Marquez, Pfizer,USA
Andreas Kaerner, Eli Lilly, 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 Studies of Oligosaccharides and their Analogues using NMR Spectroscopy
Goran Widmalm, Stockholm University, Sweden

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

BEBOP and BIBOP Pulses for Use in Analysis of Fluorinated Materials
Steve Cheatham, DuPont Crop Protection, USA

Practical Aspects of Selective 19F Homonuclear Multidimensional NMR
Peter L. Rinaldi  University of Akron, USA
    Probing the Interaction Between Fluorinated Compounds and Microorganisms Using 19F NMR
Cormac D. Murphy, University College Dublin, Belfield, Ireland

Interest of 19F NMR to Detect, Identify and Quantify New Metabolites of Fluorinated Antifungal and Anticancer Drugs in Humans
Myriam Malet-Martino, Université Paul Sabatier, France
  12:00 PM - 1:30 PM Lunch
  1:30 PM - 3:00 PM Computer Aided Structure Identification
Patrick Wheeler, 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 and Dave Russell, Varian .Inc.

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

Current Topics in 29Si NMR of Solutions
Jan Schraml, Institute of Chemical Process Fundamentals of the ASCR v.v.i.; Czech Republic

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 of Pennsylvania, USA

 

 

Multiple-Sample Probe for High-Throughput Solid-State NMR
Ben Nelson, University of Kansas

 

 

“Minimal Chemical Shift Maps” for Compound Matching and Identification
 Xi Meng, University of California,Irvine

 

 

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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