Characterization of halogenated organic compounds by the Fourier transform ion cyclotron resonance mass spectrometry: A critical review

IF 11.4 1区环境科学与生态学 Q1 ENGINEERING, ENVIRONMENTAL Water Research Pub Date : 2023-11-01 DOI:10.1016/j.watres.2023.120694

Shixi Wu , Manabu Fujii , Xin Yang , Qing-Long Fu

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Abstract

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.

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傅立叶变换离子回旋共振质谱法表征卤代有机化合物：综述。

卤代有机化合物（HOCs）广泛存在于各种环境中，通常由自然过程（如光化学卤化）和人为活动（如水消毒和HOCs的人为排放）形成，对健康和环境构成风险。因此，深入了解HOCs的分子组成、转化和命运对于调节和减少其形成至关重要。由于HOCs及其前体的极其复杂的性质，HOCs的分子组成在很大程度上仍然未知。傅立叶变换离子回旋共振质谱（FT-ICR-MS）为HOCs及其前体的同时分子水平表征提供了最强大的分辨率和质量精度。然而，关于FT-ICR MS对HOCs的综合表征，目前仍缺乏综述。在FT-ICR质谱的基础上，总结了卤代消毒副产物和全氟烷基和多氟烷基物质这两类典型HOCs的形成机理、样品预处理和分析方法。此外，我们还重点介绍了使用FT-ICR-MS的HOCs的数据分析方法和一些典型应用，并对当前问题提出了建议。这篇综述将加深我们对HOCs的化学表征及其在水生系统分子水平上的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。

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来源期刊

Water Research 环境科学-工程：环境

CiteScore

20.80

自引率

9.40%

发文量

1307

审稿时长

38 days

期刊介绍： Water Research, along with its open access companion journal Water Research X, serves as a platform for publishing original research papers covering various aspects of the science and technology related to the anthropogenic water cycle, water quality, and its management worldwide. The audience targeted by the journal comprises biologists, chemical engineers, chemists, civil engineers, environmental engineers, limnologists, and microbiologists. The scope of the journal include: •Treatment processes for water and wastewaters (municipal, agricultural, industrial, and on-site treatment), including resource recovery and residuals management; •Urban hydrology including sewer systems, stormwater management, and green infrastructure; •Drinking water treatment and distribution; •Potable and non-potable water reuse; •Sanitation, public health, and risk assessment; •Anaerobic digestion, solid and hazardous waste management, including source characterization and the effects and control of leachates and gaseous emissions; •Contaminants (chemical, microbial, anthropogenic particles such as nanoparticles or microplastics) and related water quality sensing, monitoring, fate, and assessment; •Anthropogenic impacts on inland, tidal, coastal and urban waters, focusing on surface and ground waters, and point and non-point sources of pollution; •Environmental restoration, linked to surface water, groundwater and groundwater remediation; •Analysis of the interfaces between sediments and water, and between water and atmosphere, focusing specifically on anthropogenic impacts; •Mathematical modelling, systems analysis, machine learning, and beneficial use of big data related to the anthropogenic water cycle; •Socio-economic, policy, and regulations studies.