National Institute of Pharmaceutical Education and Research-Ahmedabad (NIPER-A), An Institute of National Importance, Government of India, Palaj, Gandhinagar, Gujarat 382355, India.
National Institute of Pharmaceutical Education and Research-Ahmedabad (NIPER-A), An Institute of National Importance, Government of India, Palaj, Gandhinagar, Gujarat 382355, India.
J Chromatogr A. 2024 Nov 22;1737:465459. doi: 10.1016/j.chroma.2024.465459. Epub 2024 Oct 19.
Unknown impurities, metabolites and harmful pollutants present in pharmaceutical products, biological and environmental samples, respectively are of high concern in terms of their detection and quantification. The targeted analysis aims to quantify known chemical entities, but it lacks the ability to identify unknown components present in a sample. Non-targeted analysis is an analytical approach that can be made applicable to various disciplines of science to effectively search for unknown chemical, biological, or environmental entities that can answer various baffling mysteries of research. It employs various high-end analytical techniques that can specifically screen out multiple unknown compounds from complex mixtures. Non-targeted analysis is also applicable for complex studies such as metabolomics to search unidentified metabolites of new chemical entities. This review critically discusses the current advancements in non-targeted analysis related to the analysis of pharmaceutical, biological, and environmental samples. Various steps like sample collection, handling, preparation, extraction, its analysis using advanced techniques like high-resolution mass spectrometry, liquid chromatography mass spectrometry, and lastly interpretation of the huge amounts of complex data obtained upon analysis of complex matrices have been discussed broadly in this article. Besides the advantages of non-targeted analysis over targeted analysis, limitations, bioinformatics tools, sources of error, and research gaps have been critically analyzed.
药品、生物和环境样品中分别存在的未知杂质、代谢物和有害污染物是检测和定量的高度关注点。靶向分析旨在定量已知的化学实体，但缺乏识别样品中存在的未知成分的能力。非靶向分析是一种分析方法，可以应用于科学的各个领域，有效地搜索未知的化学、生物或环境实体，以回答研究中的各种难题。它采用各种高端分析技术，可以从复杂混合物中特异性地筛选出多种未知化合物。非靶向分析也适用于代谢组学等复杂研究，以搜索新化学实体的未识别代谢物。本文批判性地讨论了与药品、生物和环境样品分析相关的非靶向分析的最新进展。本文广泛讨论了各种步骤，如样品采集、处理、准备、提取，以及使用先进技术（如高分辨率质谱、液相色谱质谱）对其进行分析，最后对分析复杂基质获得的大量复杂数据进行解释。除了非靶向分析相对于靶向分析的优势外，还对其局限性、生物信息学工具、误差源和研究空白进行了批判性分析。
