J-Resolved1H NMR 1D-Projections for Large-Scale Metabolic Phenotyping Studies: Application to Blood Plasma Analysis | Zendy

Andrea RodriguezMartinez | Zendy; Joram M. Posma | Zendy; Rafael Ayala | Zendy; Nikita E. Harvey | Zendy; Beatriz Jiménez | Zendy; Ana Luísa Neves | Zendy; John C. Lindon | Zendy; Kazuhiro Sonomura | Zendy; Takaaki Sato | Zendy; Fumihiko Matsuda | Zendy; Pierre Zalloua | Zendy; Dominique Gauguier | Zendy; Jeremy K. Nicholson | Zendy; MarcEmmanuel Dumas | Zendy

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J-Resolved¹H NMR 1D-Projections for Large-Scale Metabolic Phenotyping Studies: Application to Blood Plasma Analysis

Author(s) -

Andrea RodriguezMartinez,

Joram M. Posma,

Rafael Ayala,

Nikita E. Harvey,

Beatriz Jiménez,

Ana Luísa Neves,

John C. Lindon,

Kazuhiro Sonomura,

Takaaki Sato,

Fumihiko Matsuda,

Pierre Zalloua,

Dominique Gauguier,

Jeremy K. Nicholson,

MarcEmmanuel Dumas

Publication year - 2017

Publication title -

analytical chemistry

Language(s) - English

Resource type - Journals

SCImago Journal Rank - 2.117

H-Index - 332

eISSN - 1520-6882

pISSN - 0003-2700

DOI - 10.1021/acs.analchem.7b02374

Subject(s) - chemistry , nuclear magnetic resonance spectroscopy , nuclear magnetic resonance , spectral line , spectroscopy , analytical chemistry (journal) , scale (ratio) , two dimensional nuclear magnetic resonance spectroscopy , reproducibility , chromatography , physics , organic chemistry , quantum mechanics , astronomy , stereochemistry

(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

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