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首页> 外文期刊>Annales de biologie clinique >Metabolome and mass spectrometry: new biomedical analysis perspectives
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Metabolome and mass spectrometry: new biomedical analysis perspectives

机译：代谢组学和质谱：新的生物医学分析观点

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摘要

Metabolomics is defined as an integrative approach consisting in the comprehensive analysis of all of the small molecules of a biological system (the "metabolome"). The main objective of metabolomics in medecine is to discover metabolic biomarkers for diseases. Mass spectrometry (MS) coupled to liquid or gas chromatography is amongst major analytical tools used in metabolomics. However, the holistic approach used in metabolomics requires very good performances of the analytical system (chromatographic column and MS equipment) and the use of non-conventional validation strategies. Metabolomics workflow can be divided in three main steps: sample preparation, MS data acquisition and processing, and statistical analysis. Processing of the "raw" data (obtained after MS acquisition) is mostly required to normalise chromatographic conditions and to carry out accurate quantification of MS features. Features resulting from this processing may be identified later. The statistical analyses include typically multivariate techniques such as supervised and non-supervised methods. Supervised methods make use of the response variable (e.g., case/control) for model construction while non-supervised methods do not use this piece of information. When the study is focused on a particular set of metabolites, targeted metabolomics could be an interesting alternative to the holistic approach since it may allow absolute quantitation and be associated with a reduced cost.
机译：代谢组学被定义为一种综合方法，包括对生物系统所有小分子（“代谢组”）进行全面分析。医学上的代谢组学的主要目的是发现疾病的代谢生物标志物。质谱（MS）与液相色谱或气相色谱联用是代谢组学中使用的主要分析工具之一。但是，用于代谢组学的整体方法要求分析系统（色谱柱和MS设备）的性能非常好，并且需要使用非常规的验证策略。代谢组学工作流程可分为三个主要步骤：样品制备，MS数据采集和处理以及统计分析。多数需要处理“原始”数据（在MS采集后获得）以标准化色谱条件并准确定量MS特征。由该处理产生的特征可以稍后被识别。统计分析通常包括多元技术，例如监督方法和非监督方法。监督方法将响应变量（例如，案例/控件）用于模型构建，而非监督方法则不使用此信息。当研究集中于一组特定的代谢物时，靶向代谢组学可能是整体方法的一种有趣替代方法，因为它可以进行绝对定量并降低成本。

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