J-Resolved 1H NMR 1D-Projections for Large-Scale Metabolic Phenotyping Studies: Application to Blood Plasma Analysis
J-Resolved 1H NMR 1D-Projections for Large-Scale Metabolic Phenotyping Studies: Application to Blood Plasma Analysis
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DOI：
10.1021/acs.analchem.7b02374
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发表时间：
2017-11-07
影响因子：
7.4
通讯作者：
Dumas, Marc-Emmanuel
中科院分区：
文献类型：
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作者：
Rodriguez-Martinez, Andrea;Posma, Joram M.;Dumas, Marc-Emmanuel
基于H-1核磁共振（NMR）光谱的代谢表型分析现在被广泛用于大规模流行病学应用。为了最大限度地减少信号重叠存在于1D H-1 NMR光谱，我们已经研究了使用2D J-分辨（JRES）H-1 NMR光谱的大规模表型研究。特别是，我们已经评估了2D JRES光谱（pJRES）的1D投影的使用，其使用来自FGENTCARD队列的705个人血浆样本为每个J偶联多重峰提供单峰。在对几个客观分析标准（光谱色散、大分子信号衰减、与GC-MS代谢物的交叉光谱相关性、分析重现性和生物标志物发现潜力）进行评估的基础上，我们得出结论，pJRES方法具有适用于大规模分子流行病学工作流程的特性。
H-1 nuclear magnetic resonance (NMR) spectroscopy based metabolic phenotyping is now widely used for large-scale epidemiological applications. To minimize signal overlap present in 1D H-1 NMR spectra, we have investigated the use of 2D J-resolved (JRES) H-1 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 macro molecular 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.