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

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Title: J-Resolved (1)H NMR 1D-Projections for Large-Scale Metabolic Phenotyping Studies: Application to Blood Plasma Analysis.
Authors: Rodriguez-Martinez, A
Posma, JM
Ayala, R
Harvey, N
Jimenez, B
Neves, AL
Lindon, JC
Sonomura, K
Sato, T-A
Matsuda, F
Zalloua, P
Gauguier, D
Nicholson, JK
Dumas, M-E
Item Type: Journal Article
Abstract: (1)H nuclear magnetic resonance (NMR) spectroscopy-based metabolic phenotyping is now widely used for large-scale epidemiological applications. To minimize signal overlap present in 1D (1)H NMR spectra, we have investigated the use of 2D J-resolved (JRES) (1)H 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.
Issue Date: 22-Sep-2017
Date of Acceptance: 22-Sep-2017
URI: http://hdl.handle.net/10044/1/53467
DOI: https://dx.doi.org/10.1021/acs.analchem.7b02374
ISSN: 0003-2700
Publisher: American Chemical Society
Start Page: 11405
End Page: 11412
Journal / Book Title: Analytical Chemistry
Volume: 89
Issue: 21
Copyright Statement: © 2017 American Chemical Society. This document is the Accepted Manuscript version of a Published Work that appeared in final form in Analytical Chemistry , after peer review and technical editing by the publisher. To access the final edited and published work see https://dx.doi.org/10.1021/acs.analchem.7b02374
Sponsor/Funder: Commission of the European Communities
Funder's Grant Number: LSHG-CT-2006-037683
Keywords: 0301 Analytical Chemistry
0904 Chemical Engineering
0399 Other Chemical Sciences
Analytical Chemistry
Publication Status: Published
Conference Place: United States
Appears in Collections:Department of Surgery and Cancer