J-Resolved 1H NMR 1D-Projections for Large-Scale Metabolic Phenotyping Studies: Application to Blood Plasma Analysis

Andrea Rodriguez-Martinez, Joram M. Posma, Rafael Ayala, Nikita Harvey, Beatriz Jimenez, Ana L. Neves, John C. Lindon, Kazuhiro Sonomura, Taka Aki Sato, Fumihiko Matsuda, Pierre Zalloua, Dominique Gauguier, Jeremy K. Nicholson, Marc Emmanuel Dumas

Research output: Contribution to journalArticlepeer-review

16 Scopus citations

Abstract

1H nuclear magnetic resonance (NMR) spectroscopy-based metabolic phenotyping is now widely used for large-scale epidemiological applications. To minimize signal overlap present in 1D 1H NMR spectra, we have investigated the use of 2D J-resolved (JRES) 1H NMR spectroscopy for large-scale phenotyping studies. In particular, we have evaluated the use of the 1D projections of the 2D JRES spectra (pJRES), which provide single peaks for each of the J-coupled multiplets, using 705 human plasma samples from the FGENTCARD cohort. On the basis of the assessment of several objective analytical criteria (spectral dispersion, attenuation of macromolecular signals, cross-spectral correlation with GC-MS metabolites, analytical reproducibility and biomarker discovery potential), we concluded that the pJRES approach exhibits suitable properties for implementation in large-scale molecular epidemiology workflows.

Original languageBritish English
Pages (from-to)11405-11412
Number of pages8
JournalAnalytical Chemistry
Volume89
Issue number21
DOIs
StatePublished - 7 Nov 2017

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