Proton NMR chemical shifts and coupling constants for brain metabolites

V Govindaraju, K Young… - NMR in Biomedicine: An …, 2000 - Wiley Online Library
V Govindaraju, K Young, AA Maudsley
NMR in Biomedicine: An International Journal Devoted to the …, 2000Wiley Online Library
Proton NMR chemical shift and J‐coupling values are presented for 35 metabolites that can
be detected by in vivo or in vitro NMR studies of mammalian brain. Measurements were
obtained using high‐field NMR spectra of metabolites in solution, under conditions typical
for normal physiological temperature and pH. This information is presented with an accuracy
that is suitable for computer simulation of metabolite spectra to be used as basis functions of
a parametric spectral analysis procedure. This procedure is verified by the analysis of a rat …
Abstract
Proton NMR chemical shift and J‐coupling values are presented for 35 metabolites that can be detected by in vivo or in vitro NMR studies of mammalian brain. Measurements were obtained using high‐field NMR spectra of metabolites in solution, under conditions typical for normal physiological temperature and pH. This information is presented with an accuracy that is suitable for computer simulation of metabolite spectra to be used as basis functions of a parametric spectral analysis procedure. This procedure is verified by the analysis of a rat brain extract spectrum, using the measured spectral parameters. In addition, the metabolite structures and example spectra are presented, and clinical applications and MR spectroscopic measurements of these metabolites are reviewed. Copyright © 2000 John Wiley & Sons, Ltd.
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