Statistical Indices for Simultaneous Large-Scale Metabolite Detections for a Single NMR Spectrum
Statistical Indices for Simultaneous Large-Scale Metabolite Detections for a Single NMR Spectrum
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DOI：
10.1021/ac9022023
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发表时间：
2010-03-01
影响因子：
7.4
通讯作者：
Kikuchi, Jun
中科院分区：
文献类型：
--
作者：
Chikayama, Eisuke;Sekiyama, Yasuyo;Kikuchi, Jun
基于核磁共振的代谢组学已成为一种实用的分析方法，用于发现生物体内的新基因、生物标志物、代谢表型和动态细胞行为。然而，基于核磁共振的代谢组学的近期发展并未集中在同时大规模代谢物检测的全面性改进上。为了解决这一问题，我们在基于核磁共振的代谢组学中设计并应用了一个统计指标——SpinAssign p值，用于大规模代谢物注释，并公布了这一信息。它能够从细胞提取物的单个样本的单次碳 - 13 - 异核单量子相干（C - 13 - HSQC）核磁共振谱中同时注释200多种候选代谢物。
NMR-based metabolomics has become a practical and analytical methodology for discovering novel genes, biomarkers, metabolic phenotypes, and dynamic cell behaviors in organisms. Recent developments in NMR-based metabolomics, however, have not concentrated on improvements of comprehensiveness in terms of simultaneous large-scale metabolite detections. To resolve this, we have devised and implemented a statistical index, the SpinAssign p-value, in NMR-based metabolomics for large-scale metabolite annotation and publicized this information. It enables simultaneous annotation of more than 200 candidate metabolites from the single C-13-HSQC (heteronuclear single quantum coherence) NMR spectrum of a single sample of cell extract.