Beyond the paradigm: Combining mass spectrometry and nuclear magnetic resonance for metabolomics.
Beyond the paradigm: Combining mass spectrometry and nuclear magnetic resonance for metabolomics.
复制标题
超越范式：结合质谱和核磁共振代谢组学。
DOI：
10.1016/j.pnmrs.2017.01.001
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发表时间：
2017-05
影响因子：
6.1
通讯作者：
Powers R
中科院分区：
文献类型：
--
作者：
Marshall DD;Powers R
代谢组学正在经历巨大的增长，并被用于解决从环境问题到人类疾病生物标志物的鉴定的各种生物学问题。核磁共振（NMR）和质谱（MS）是常规但单独用于获得代谢组学数据集的分析工具，因为它们具有多功能性、可访问性和独特的优势。NMR无需色谱法，只需最少的样品处理，易于定量，并提供多种代谢物鉴定方法，但仅限于检测最丰富的代谢物（≥ 1 μM）。相反，质谱法能够测量非常低浓度（飞摩尔至阿摩尔）的代谢物，并具有更高的分辨率（103-104）和动态范围（103-104），但定量是一个挑战，由于离子抑制，样品复杂性可能会限制代谢物的检测。因此，液相色谱（LC）或气相色谱（GC）通常与MS结合使用，但这可能导致其他误差来源。因此，NMR和质谱是高度互补的，将这两种技术结合起来可能会提高研究的整体质量，并提高代谢组的覆盖范围。虽然大多数代谢组学研究使用单一的分析来源，但人们越来越认识到NMR和MS相结合对代谢组学的内在价值。将介绍利用NMR和MS进行代谢组学研究的现状。
Metabolomics is undergoing tremendous growth and is being employed to solve a diversity of biological problems from environmental issues to the identification of biomarkers for human diseases. Nuclear magnetic resonance (NMR) and mass spectrometry (MS) are the analytical tools that are routinely, but separately, used to obtain metabolomics data sets due to their versatility, accessibility, and unique strengths. NMR requires minimal sample handling without the need for chromatography, is easily quantitative, and provides multiple means of metabolite identification, but is limited to detecting the most abundant metabolites (≥ 1 μM). Conversely, mass spectrometry has the ability to measure metabolites at very low concentrations (femtomolar to attomolar) and has a higher resolution (∼103-104) and dynamic range (∼103-104), but quantitation is a challenge and sample complexity may limit metabolite detection because of ion suppression. Consequently, liquid chromatography (LC) or gas chromatography (GC) is commonly employed in conjunction with MS, but this may lead to other sources of error. As a result, NMR and mass spectrometry are highly complementary, and combining the two techniques is likely to improve the overall quality of a study and enhance the coverage of the metabolome. While the majority of metabolomic studies use a single analytical source, there is a growing appreciation of the inherent value of combining NMR and MS for metabolomics. An overview of the current state of utilizing both NMR and MS for metabolomics will be presented.