Study of the Photoinduced Fate of Selected Contaminants in Surface Waters by HPLC-HRMS

IF 1.8 3区化学 Q4 BIOCHEMICAL RESEARCH METHODS

Rapid Communications in Mass Spectrometry Pub Date : 2025-05-20 DOI:10.1002/rcm.10075

Rossella Sesia, Federica Dal Bello, Claudio Medana, Rita Binetti, Dimitra Papagiannaki, Paola Calza

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引用次数: 0

Abstract

Rationale

Photoinduced transformation of contaminants of emerging concern (CECs) can occur in aquatic environment and could lead to the formation of transformation products (TPs) of greater concern than the parent compounds. For such, the fate of epoxiconazole, hymecromone, and coumarin in water was investigated by simulating photoinduced abiotic transformations to assess the toxicity of their TPs and which CEC may be of greatest concern.

Methods

Heterogeneous photocatalysis with TiO₂ and direct photolysis of selected CECs were exploited to simulate their TPs. The TPs were assessed by means of HPLC coupled with an Orbitrap MS analyser in ESI positive mode, while their toxicity was evaluated through a Vibrio fischeri bioluminescence assay, and ECOSAR tool.

Results

The formation of numerous TPs via different photoinduced pathways was noticed (27 for epoxiconazole, 6 for coumarin, and 8 for hymecromone, some of which are in the form of structural isomers). Toxicity assessment via V. fischeri assay showed that, unlike coumarin species, epoxiconazole transformation proceeds through the formation of toxic compounds. By means of ECOSAR software, the formation of predominant more noxious TPs of epoxiconazole was proved than the parent compound for both acute and chronic toxicities. Instead, most TPs of coumarin and hymecromone generally exhibited “harmful” and “toxic” levels of acute and chronic toxicities.

Conclusions

A probable structural identification was assigned to the monitored TPs via HPLC-HRMS to recognize the several transformation pathways, of which the hydroxylation reaction was predominant, and which compound may be more hazardous in the aquatic system due to its TPs. Epoxiconazole transformation brought to potentially toxic TPs, whereas photoinduced degradation of coumarin and hymecromone resulted in less hazardous TPs. The most significant aspect of this work is the ability of this overall approach to identify the formation of photoinduced TPs that are potentially more toxic than the original CEC.

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用HPLC-HRMS研究地表水中选定污染物的光致归宿

在水生环境中，新兴关注污染物（CECs）的光诱导转化可以发生，并可能导致形成比母体化合物更受关注的转化产物（TPs）。因此，通过模拟光诱导的非生物转化，研究了环氧康唑、羟色酮和香豆素在水中的命运，以评估它们的TPs的毒性，以及哪些CEC可能是最值得关注的。方法采用TiO2非均相光催化法和直接光解法对选定的CECs进行TPs模拟。采用高效液相色谱法（HPLC）和Orbitrap质谱仪（MS）在ESI阳性模式下对TPs进行评价，采用费氏弧菌（Vibrio fischeri）生物发光法和ECOSAR工具对其毒性进行评价。结果通过不同的光诱导途径形成了大量的TPs（环氧康唑27个，香豆素6个，羟色胺酮8个，其中一些以结构异构体的形式形成）。通过V. fischeri试验进行的毒性评估表明，与香豆素不同，环氧康唑的转化是通过形成有毒化合物进行的。ECOSAR软件检测结果表明，在急性和慢性毒性方面，环氧康唑形成的TPs明显高于母体化合物。相反，香豆素和羟色胺酮的大多数TPs通常表现出急性和慢性毒性的“有害”和“毒性”水平。结论通过HPLC-HRMS对监测的TPs进行了可能的结构鉴定，确定了几种转化途径，其中羟基化反应占主导地位，哪些化合物可能因其TPs而对水生系统更有害。环氧康唑转化产生潜在毒性的TPs，而香豆素和羟色胺酮的光诱导降解产生危险性较小的TPs。这项工作最重要的方面是，这种整体方法能够识别光诱导TPs的形成，这些TPs可能比原始CEC更具毒性。

本文章由计算机程序翻译，如有差异，请以英文原文为准。

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来源期刊

Rapid Communications in Mass Spectrometry 化学-分析化学

CiteScore

4.10

自引率

5.00%

发文量

219

审稿时长

2.6 months

期刊介绍： Rapid Communications in Mass Spectrometry is a journal whose aim is the rapid publication of original research results and ideas on all aspects of the science of gas-phase ions; it covers all the associated scientific disciplines. There is no formal limit on paper length ("rapid" is not synonymous with "brief"), but papers should be of a length that is commensurate with the importance and complexity of the results being reported. Contributions may be theoretical or practical in nature; they may deal with methods, techniques and applications, or with the interpretation of results; they may cover any area in science that depends directly on measurements made upon gaseous ions or that is associated with such measurements.