Software-assisted serum metabolite quantification using NMR |
| |
Authors: | Young-Sang Jung Jin-Seong Hyeon Geum-Sook Hwang |
| |
Affiliation: | 1. Integrated Metabolomics Research Group, Western Seoul Center, Korea Basic Science Institute, Seoul, 120-140, Republic of Korea;2. Chenistry & Nano Science, Ewha Womans University, Seoul, Republic of Korea |
| |
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. |
| |
Keywords: | Metabolomics Nuclear magnetic resonance Serum Quantification Profiling |
本文献已被 ScienceDirect 等数据库收录! |
|