Current experimental, bioinformatic and statistical methods used in NMR based metabolomics
Helena U. Zacharias, Jochen Hochrein, Matthias S. Klein, Claudia Samol, Peter J. Oefner and Wolfram GronwaldAffiliation:
Institute of Functional Genomics, University of Regensburg, Josef-Engert-Str. 9, 93053 Regensburg, Germany.
AbstractThe aim of this contribution is to familiarize the reader with experimental, bioinformatic and statistical strategies currently used in the field of solution NMR based metabolomics. Special emphasis is given to methods that have worked well in our hands. Methods covered include sample preparation, acquisition and processing of NMR spectra, and identification and quantification of metabolites. Further consideration is given to data normalization and scaling, unsupervised and supervised statistical data analysis, the biomedical interpretation of results, and the centralized community-wide storage and retrieval of NMR data.
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