Keen Bethany, Cawley Adam, Reedy Brian, Fu Shanlin
Centre for Forensic Science, University of Technology Sydney, Broadway, New South Wales, Australia.
Australian Racing Forensic Laboratory, Racing NSW, Sydney, New South Wales, Australia.
Drug Test Anal. 2022 May;14(5):794-807. doi: 10.1002/dta.3245. Epub 2022 Mar 8.
Metabolomics is a multidisciplinary field providing workflows for complementary approaches to conventional analytical determinations. It allows for the study of metabolically related groups of compounds or even the study of novel pathways within the biological system. The procedural stages of metabolomics; experimental design, sample preparation, analytical determinations, data processing and statistical analysis, compound identification and validation strategies are explored in this review. The selected approach will depend on the type of study being conducted. Experimental design influences the whole metabolomics workflow and thus needs to be properly assessed to ensure sufficient sample size, minimal introduced and biological variation and appropriate statistical power. Sample preparation needs to be simple, yet potentially global in order to detect as many compounds as possible. Analytical determinations need to be optimised either for the list of targeted compounds or a universal approach. Data processing and statistical analysis approaches vary widely and need to be better harmonised for review and interpretation. This includes validation strategies that are currently deficient in many presented workflows. Common compound identification approaches have been explored in this review. Metabolomics applications are discussed for clinical and forensic toxicology, human and equine sports anti-doping and veterinary residues.
代谢组学是一个多学科领域，为传统分析测定提供了互补方法的工作流程。它允许对代谢相关的化合物组进行研究，甚至可以研究生物系统内的新途径。本文综述了代谢组学的程序阶段，包括实验设计、样品制备、分析测定、数据处理和统计分析、化合物鉴定和验证策略。所选方法将取决于所进行的研究类型。实验设计会影响整个代谢组学工作流程，因此需要进行适当评估，以确保有足够的样本量、最小的引入误差和生物变异以及适当的统计效力。样品制备需要简单，但可能具有全局性，以便检测尽可能多的化合物。分析测定需要针对目标化合物列表或通用方法进行优化。数据处理和统计分析方法差异很大，需要更好地协调以便进行审查和解释。这包括目前许多呈现的工作流程中缺乏的验证策略。本文综述了常见的化合物鉴定方法。还讨论了代谢组学在临床和法医毒理学、人类和马类运动反兴奋剂以及兽医残留方面的应用。
