NMR in Metabolomics : Characterizing Metabolites in Complex Environments
Vendredi 28 juin 2013 14:00
- Duree : 1 heure
Lieu : Salle des séminaires de l’IBS - J.P. Ebel - 41 rue Jules Horowitz - Grenoble
Orateur : Rafael BRUSCHWEILER (Florida State University & National High Magnetic Field Laboratory, Florida)
NMR spectroscopy provides unique opportunities for the accurate analysis of complex mixtures, such as ones encountered in metabolomics. Approaches for the analysis of both unlabeled and 13C-enriched mixtures will be presented that are based on consensus clustering analysis of 2D NMR TOCSY spectra suitable for automation. A procedure will be described for the de novo reconstruction of metabolite backbones with application to cell lysates. A new customized TOCSY database (TOCCATA) has been established for the highly accurate identification of metabolites that contain multiple spin systems or adopt multiple isomeric states. Applications will be shown for samples from different organisms.
Contact : martin.blackledge@ibs.fr
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