TY - JOUR
T1 - J-Resolved 1H NMR 1D-Projections for Large-Scale Metabolic Phenotyping Studies
T2 - Application to Blood Plasma Analysis
AU - Rodriguez-Martinez, Andrea
AU - Posma, Joram M.
AU - Ayala, Rafael
AU - Harvey, Nikita
AU - Jimenez, Beatriz
AU - Neves, Ana L.
AU - Lindon, John C.
AU - Sonomura, Kazuhiro
AU - Sato, Taka Aki
AU - Matsuda, Fumihiko
AU - Zalloua, Pierre
AU - Gauguier, Dominique
AU - Nicholson, Jeremy K.
AU - Dumas, Marc Emmanuel
N1 - Funding Information:
This work was supported by PhD studentships awarded to A.R.-M. (Medical Research Council Doctoral Training Centre (MR/ K501281/1), Imperial College (EP/M506345/1), and La Caixa Foundation), by grants from the European Commission (FGENTCARD, LSHG-CT-2006-037683, EURATRANS, HEALTH-F4-2010-241504) to D.G., J.K.N., and M.-E.D. and by the Practical Research Project for Rare/Intractable Diseases from the Japanese Agency for Medical Research and Development (AMED) to F.M. We thank the Imperial-National Institute for Health Research (NIHR) Clinical Phenome Centre, which is supported by the NIHR Imperial Biomedical Research Centre based at Imperial College Healthcare National Health Service (NHS) Trust and Imperial College London.
Publisher Copyright:
© 2017 American Chemical Society.
PY - 2017/11/7
Y1 - 2017/11/7
N2 - 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.
AB - 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.
UR - https://www.scopus.com/pages/publications/85043450815
U2 - 10.1021/acs.analchem.7b02374
DO - 10.1021/acs.analchem.7b02374
M3 - Article
C2 - 28937204
AN - SCOPUS:85043450815
SN - 0003-2700
VL - 89
SP - 11405
EP - 11412
JO - Analytical Chemistry
JF - Analytical Chemistry
IS - 21
ER -