Department of Chemistry, Aristotle University of Thessaloniki, GR 54124, Thessaloniki, Greece; Centre for Interdisciplinary Research and Innovation (CIRI-AUTH), Balkan Center, Thessaloniki, 10th km Thessaloniki-Thermi Rd, GR 57001, Greece.
Department of Chemistry, International Hellenic University, Kavala, GR 65404, Greece.
J Hazard Mater. 2023 Sep 15;458:131854. doi: 10.1016/j.jhazmat.2023.131854. Epub 2023 Jun 14.
Persistent, mobile, and toxic chemicals (PMT), such as the antimycotic climbazole-(CBZ), proliferate in water cycle and imperil drinking water quality, sparking off research about their environmental fate. Unlike the parent compound, its transformation products-(TPs) are scarcely investigated, much less as PMTs. To this end, phototransformation of CBZ was investigated. A novel suspect-screening workflow was developed and optimized by cross-comparing the results of the identified photo-TPs against literature data to create an enhanced HRMS-database for environmental investigations of CBZ/TPs in the water cycle. In total, 24 TPs were identified, 14 of which are reported for the first time. Isomerism, dechlorination, hydroxylation, and cleavage of the ether or C-N bond are suggested as the main transformation routes. A screening of CBZ/TPs was conducted in wastewater, leachates, surface, and groundwater, revealing a maximum concentration of 464.8 ng/L in groundwater. In silico and in vitro methods were used for toxicity assessment, indicating toxicity for CBZ and some TPs. Seemingly, CBZ is rightly considered as PMT, and a higher potential to occur in surface or groundwater than non-PM chemicals appears. Likewise, the occurrence of TPs due to PMT properties or emission patterns was evaluated.
持久性、移动性和毒性化学物质（PMT），如抗真菌剂克霉唑（CBZ），在水循环中大量存在，危及饮用水质量，引发了对其环境命运的研究。与母体化合物不同，其转化产物（TPs）的研究甚少，更不用说作为 PMT 了。为此，研究了 CBZ 的光转化。通过将鉴定出的光转化产物的结果与文献数据进行交叉比较，开发并优化了一种新颖的可疑物筛选工作流程，为环境中环已唑/TPs 的研究创建了一个增强的 HRMS 数据库。总共鉴定出 24 种转化产物，其中 14 种是首次报道。推测主要的转化途径为异构化、脱氯、羟化和醚或 C-N 键的断裂。在废水、浸出液、地表水和地下水中进行了 CBZ/TPs 的筛选，发现地下水中的最大浓度为 464.8 ng/L。采用体内和体外方法进行毒性评估，表明 CBZ 和一些 TPs 具有毒性。显然，CBZ 被正确地认为是 PMT，并且在地表水或地下水中出现的可能性比非 PM 化学物质更高。同样，也评估了由于 PMT 特性或排放模式而出现 TPs 的情况。
