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Software-assisted serum metabolite quantification using NMR

Title
Software-assisted serum metabolite quantification using NMR
Authors
Jung, Young-SangHyeon, Jin-SeongHwang, Geum-Sook
Ewha Authors
황금숙
SCOPUS Author ID
황금숙scopusscopus
Issue Date
2016
Journal Title
ANALYTICA CHIMICA ACTA
ISSN
0003-2670JCR Link1873-4324JCR Link
Citation
vol. 934, pp. 194 - 202
Keywords
MetabolomicsNuclear magnetic resonanceSerumQuantificationProfiling
Publisher
ELSEVIER SCIENCE BV
Indexed
SCI; SCIE; SCOPUS WOS scopus
Abstract
The goal of metabolomics is to analyze a whole metabolome under a given set of conditions, and accurate and reliable quantitation of metabolites is crucial. Absolute concentration is more valuable than relative concentration; however, the most commonly used method in NMR-based serum metabolic profiling, bin-based and full data point peak quantification, provides relative concentration levels of metabolites and are not reliable when metabolite peaks overlap in a spectrum. In this study, we present the software-assisted serum metabolite quantification (SASMeQ) method, which allows us to identify and quantify metabolites in NMR spectra using Chenomx software. This software uses the ERETIC2 utility from TopSpin to add a digitally synthesized peak to a spectrum. The SASMeQ method will advance NMR-based serum metabolic profiling by providing an accurate and reliable method for absolute quantification that is superior to bin-based quantification. (C) 2016 Elsevier B.V. All rights reserved.
DOI
10.1016/j.aca.2016.04.054
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자연과학대학 > 화학·나노과학전공 > Journal papers
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