Hubei Key Laboratory of Yangtze Catchment Environmental Aquatic Science, School of Environmental Studies, China University of Geosciences, Wuhan 430074, China.
Department of Civil and Environmental Engineering, Tokyo Institute of Technology, 2-12-1, Ookayama, Meguro-Ku, Tokyo 152-8550, Japan.
Water Res. 2023 Nov 1;246:120694. doi: 10.1016/j.watres.2023.120694. Epub 2023 Oct 4.
Halogenated organic compounds (HOCs), widely present in various environments, are generally formed by natural processes (e.g., photochemical halogenation) and anthropogenic activities (e.g., water disinfection and anthropogenic discharge of HOCs), posing health and environmental risks. Therefore, in-depth knowledge of the molecular composition, transformation, and fate of HOCs is crucial to regulate and reduce their formation. Because of the extremely complex nature of HOCs and their precursors, the molecular composition of HOCs remains largely unknown. The Fourier transform ion cyclotron resonance mass spectrometry (FT-ICR MS) offers the most powerful resolution and mass accuracy for the simultaneous molecular-level characterization of HOCs and their precursors. However, there is still a paucity of reviews regarding the comprehensive characterization of HOCs by FT-ICR MS. Based on the FT-ICR MS, the formation mechanism, sample pretreatment, and analysis methods were summarized for two typical HOCs classes, namely halogenated disinfection byproducts and per- and polyfluoroalkyl substances in this review. Moreover, we have highlighted data analysis methods and some typical applications of HOCs using FT-ICR MS and proposed suggestions for current issues. This review will deepen our understanding of the chemical characterization of HOCs and their formation mechanisms and transformation at the molecular level in aquatic systems, facilitating the application of the state-of-the-art FT-ICR MS in environmental and geochemical research.
卤代有机化合物（HOCs）广泛存在于各种环境中，一般由自然过程（如光化学卤化）和人为活动（如水消毒和人为排放 HOCs）形成，对健康和环境构成风险。因此，深入了解 HOCs 的分子组成、转化和归宿对于调节和减少其形成至关重要。由于 HOCs 及其前体的性质极其复杂，HOCs 的分子组成在很大程度上仍不清楚。傅里叶变换离子回旋共振质谱（FT-ICR MS）为 HOCs 及其前体的分子水平同时表征提供了最强的分辨率和质量精度。然而，关于 FT-ICR MS 对 HOCs 的全面表征仍缺乏综述。基于 FT-ICR MS，本文综述了两种典型的 HOCs 类别的形成机制、样品预处理和分析方法，即卤代消毒副产物和全氟及多氟烷基物质。此外，我们强调了使用 FT-ICR MS 进行 HOCs 数据分析的方法和一些典型应用，并对当前问题提出了建议。本综述将加深我们对水生系统中 HOCs 的化学特征及其分子水平形成机制和转化的理解，促进最先进的 FT-ICR MS 在环境和地球化学研究中的应用。
