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Fast quantitative 2D NMR for metabolomics and lipidomics: a tutorial
Magnetic Resonance in Chemistry ( IF 2 ) Pub Date : 2019-07-08 , DOI: 10.1002/mrc.4899
Estelle Martineau 1, 2 , Jean-Nicolas Dumez 1 , Patrick Giraudeau 1, 3
Affiliation  

Nuclear magnetic resonance (NMR) is a well‐known analytical technique for the analysis of complex mixtures. Its quantitative capability makes it ideally suited to metabolomics or lipidomics studies involving large sample collections of complex biological samples. To overcome the ubiquitous limitation of spectral overcrowding when recording 1D NMR spectra on such samples, the acquisition of 2D NMR spectra allows a better separation between overlapped resonances while yielding accurate quantitative data when appropriate analytical protocols are implemented. Moreover, the experiment duration can be considerably reduced by applying fast acquisition methods. Here, we describe the general workflow to acquire fast quantitative 2D NMR spectra in the “omics” context. It is illustrated on three representative and complementary experiments: UF COSY, ZF‐TOCSY with nonuniform sampling, and HSQC with nonuniform sampling. After giving some details and recommendations on how to apply this protocol, its implementation in the case of targeted and untargeted metabolomics/lipidomics studies is described.

中文翻译:

代谢组学和脂质组学的快速定量二维 NMR:教程

核磁共振 (NMR) 是一种众所周知的分析复杂混合物的分析技术。其定量能力使其非常适合涉及复杂生物样品的大量样品收集的代谢组学或脂质组学研究。为了克服在此类样品上记录 1D NMR 光谱时光谱过度拥挤的普遍限制,2D NMR 光谱的采集允许更好地分离重叠共振,同时在实施适当的分析协议时产生准确的定量数据。此外,通过应用快速采集方法可以大大缩短实验持续时间。在这里,我们描述了在“组学”背景下获取快速定量 2D NMR 光谱的一般工作流程。三个代表性和互补的实验说明了这一点:UF COSY,ZF-TOCSY 采用非均匀采样,HSQC 采用非均匀采样。在给出有关如何应用该协议的一些细节和建议后,描述了其在靶向和非靶向代谢组学/脂质组学研究中的实施。
更新日期:2019-07-08
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