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Program & Deadlines

Program - Overview

Information about workshops - Tuesday, June 7 (14.00-16.00)

Workshop 1

Direct quantification of metabolites from 1H NMR spectra using Signature Mapping (SigMa) approach
- Bekzod Khakimov, University of Copenhagen

The workshop provides knowledge and tools on processing complex 1H NMR spectra recorded on biological samples within metabolomics and foodomics research. Extraction of metabolite information (identification and quantification of metabolites) from complex 1H NMR spectra often hampered by a problem known as “signal mixing” (signal shift and signal overlap) and low signal-to-noise ratio (SNR). In the workshop, participants will be familiarized with most common problems in processing NMR spectra and how to deal with them. Further, they will be introduction to a SigMa software1, which is built to process NMR metabolomics data in a “spectra-in metabolite table-out” fashion. SigMa is based on the state-of-the-art algorithms developed to align NMR spectra, identify and quantify signature  signals, and empowered by SigMa’s built-in chemical shift libraries specific for biological sample type, for example human blood plasma, urine, faecal, milk etc. The software is free for academic users and participants are recommended to install MATLAB (ver 2016b or higher) prior to the workshop if they wish to try SigMa on their own dataset or on test datasets available in SigMa. 

Recommended reading:

  1. Khakimov, B.;  Mobaraki, N.;  Trimigno, A.;  Aru, V.; Engelsen, S. B., Signature Mapping (SigMa): An efficient approach for processing complex human urine 1H NMR metabolomics data. Analytica Chimica Acta 2020, 1108, 142-151.

Workshop 2

Principles and Applications of Relaxation and Diffusion NMR Experiments
- Bernhard Blümich, RWTH Aachen University

Nuclear magnetization relaxation and molecular translational diffusion give rise to contrast in magnetic resonance images. The associated relaxation times and diffusion coefficients are parameters useful to characterize properties of soft and fluid filled porous matter. This tutorial reviews the NMR methodology associated with relaxation and transport phenomena and its use for materials characterization. 

Recommended reading:

  1. R. Kimmich, NMR Tomography, Diffusometry, Relaxometry, Springer, Berlin, 1997
  2. G.R. Coates, L. Xiao, M.G. Prammer, NMR Logging: Principles and Applications, Halliburton Energy Services, Houston, 1999
  3. V.I. Bakhmutov, Practical NMR Relaxation for Chemists, Wiley, Chichester, 2004
  4. J. Kowalewski, L. Maler, Nuclear Spin Relaxation in Liquids: Theory, Experiments, And Applications, CRC Press, Boca Raton, 2006
  5. W.S. Price, NMR Studies of Translational Motion: Principles and Applications, Cambridge University Press, Cambridge, 2009
  6. P.T. Callaghan, Translational Dynamics & Magnetic Resonance, Oxford University Press, Oxford, 2011. 
  7. F. Casanova, J. Perlo, B. Blümich, Single-Sided NMR, Springer, Berlin, 2011
  8. B. Blümich, S. Haber-Pohlmeier, W. Zia, Compact NMR, de Gruyter, Berlin, 2014
  9. B. Blümich, Essential NMR, 2nd edition, Springer Nature, Cham, 2019

       Important deadlines 2022

Jan. 15Submission of abstracts:
Oral Presentations
Feb. 15Submission of abstracts:
Poster Presentations
Mar. 1 End of Early Bird registration
May 15End of registration