National Institute of Standards and Technology, Gaithersburg, Maryland 20899, United States.
U.S. Environmental Protection Agency, Office of Research and Development, Center for Computational Toxicology and Exposure, Research Triangle Park, North Carolina 27711, United States.
Anal Chem. 2021 Dec 14;93(49):16289-16296. doi: 10.1021/acs.analchem.1c02660. Epub 2021 Nov 29.
Non-targeted analysis (NTA) encompasses a rapidly evolving set of mass spectrometry techniques aimed at characterizing the chemical composition of complex samples, identifying unknown compounds, and/or classifying samples, without prior knowledge regarding the chemical content of the samples. Recent advances in NTA are the result of improved and more accessible instrumentation for data generation and analysis tools for data evaluation and interpretation. As researchers continue to develop NTA approaches in various scientific fields, there is a growing need to identify, disseminate, and adopt community-wide method reporting guidelines. In 2018, NTA researchers formed the Benchmarking and Publications for Non-Targeted Analysis Working Group (BP4NTA) to address this need. Consisting of participants from around the world and representing fields ranging from environmental science and food chemistry to 'omics and toxicology, BP4NTA provides resources addressing a variety of challenges associated with NTA. Thus far, BP4NTA group members have aimed to establish a consensus on NTA-related terms and concepts and to create consistency in reporting practices by providing resources on a public Web site, including consensus definitions, reference content, and lists of available tools. Moving forward, BP4NTA will provide a setting for NTA researchers to continue discussing emerging challenges and contribute to additional harmonization efforts.
非靶向分析(NTA)涵盖了一组快速发展的质谱技术,旨在描述复杂样品的化学组成,鉴定未知化合物和/或对样品进行分类,而无需事先了解样品的化学内容。NTA 的最新进展是由于数据生成仪器的改进和更易获取,以及数据评估和解释工具的改进。随着研究人员在各个科学领域继续开发 NTA 方法,越来越需要确定、传播和采用全社区方法报告准则。2018 年,NTA 研究人员成立了基准和非靶向分析出版物工作组(BP4NTA),以满足这一需求。BP4NTA 由来自世界各地的参与者组成,代表了从环境科学和食品化学到组学和毒理学等各个领域,提供了各种与 NTA 相关的资源,解决了与 NTA 相关的各种挑战。迄今为止,BP4NTA 小组成员旨在就 NTA 相关术语和概念达成共识,并通过在公共网站上提供资源,包括共识定义、参考内容和可用工具列表,在报告实践中保持一致性。展望未来,BP4NTA 将为 NTA 研究人员提供一个继续讨论新出现的挑战并为进一步的协调努力做出贡献的环境。