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Software-assisted serum metabolite quantification using NMR
- Software-assisted serum metabolite quantification using NMR
- Jung, Young-Sang; Hyeon, Jin-Seong; Hwang, Geum-Sook
- Ewha Authors
- SCOPUS Author ID
- Issue Date
- Journal Title
- ANALYTICA CHIMICA ACTA
- 0003-2670; 1873-4324
- vol. 934, pp. 194 - 202
- Metabolomics; Nuclear magnetic resonance; Serum; Quantification; Profiling
- ELSEVIER SCIENCE BV
- SCI; SCIE; SCOPUS
- 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.
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