Naz Shama, Vallejo Maria, García Antonia, Barbas Coral
CEMBIO (Center for Metabolomics and Bioanalysis), Facultad de Farmacia, Universidad San Pablo CEU, Madrid, Spain.
CEMBIO (Center for Metabolomics and Bioanalysis), Facultad de Farmacia, Universidad San Pablo CEU, Madrid, Spain.
J Chromatogr A. 2014 Aug 1;1353:99-105. doi: 10.1016/j.chroma.2014.04.071. Epub 2014 Apr 28.
Non-targeted metabolomics is the hypothesis generating, global unbiased analysis of all the small-molecule metabolites present within a biological system, under a given set of conditions. It includes several common steps such as selection of biological samples, sample pre-treatment, analytical conditions set-up, acquiring data, data analysis by chemometrics, database search and biological interpretation. Non-targeted metabolomics offers the potential for a holistic approach in the area of biomedical research in order to improve disease diagnosis and to understand its pathological mechanisms. Various analytical methods have been developed based on nuclear magnetic resonance spectroscopy (NMR) and mass spectrometry (MS) coupled with different separation techniques. The key points in any analytical method development are the validation of every step to get a reliable and reproducible result and non-targeted metabolomics is not beyond this criteria, although analytical challenges are completely new and different to target methods. This review paper will describe the available validation strategies that are being used and as well will recommend some steps to consider during a non-targeted metabolomics analytical method development.
非靶向代谢组学是在给定条件下，对生物系统中存在的所有小分子代谢物进行假设生成、全局无偏分析。它包括几个常见步骤，如生物样品的选择、样品预处理、分析条件设置、数据采集、化学计量学数据分析、数据库搜索和生物学解释。非靶向代谢组学为生物医学研究领域提供了一种整体方法的潜力，以改善疾病诊断并了解其病理机制。基于核磁共振波谱（NMR）和质谱（MS）并结合不同的分离技术，已经开发了各种分析方法。任何分析方法开发的关键点都是对每个步骤进行验证，以获得可靠且可重复的结果，非靶向代谢组学也不例外，尽管分析挑战与靶向方法完全不同且全新。本文将描述正在使用的可用验证策略，并推荐在非靶向代谢组学分析方法开发过程中需要考虑的一些步骤。
