Laboratory of Analytical Chemistry, Department of Chemistry, National and Kapodistrian University of Athens, Panepistimiopolis Zografou, 15771 Athens, Greece.
Laboratory of Analytical Chemistry, Department of Chemistry, National and Kapodistrian University of Athens, Panepistimiopolis Zografou, 15771 Athens, Greece.
J Hazard Mater. 2021 Oct 5;419:126401. doi: 10.1016/j.jhazmat.2021.126401. Epub 2021 Jun 15.
During ozonation in wastewater treatment plants, ozone reacts with emerging pollutants, which are partially removed through the secondary treatment, as long as, with their biotransformation products, triggering the formation of ozonation transformation products (TPs). Although the transformation of parent compounds (PCs) and their metabolites has been reported in the literature, the probable transformation of biotransformation products has not been investigated so far. This study evaluates the fate of citalopram (CTR) and four of its biotransformation products (DESCTR, CTRAM, CTRAC and CTROXO) during ozonation experiments. A Gaussian curve-based trend analysis was performed for the first time for the automated detection of TPs in ozone concentrations ranging from 0.06 to 12 mg/L. In total 46 ozonation TPs were detected; 7 TPs of CTR, 10 of DESCTR, 9 of CTRAM, 12 of CTRAC and 8 of CTROXO and were structurally elucidated based on their high resolution tandem mass spectra interpretation and tandem mass spectra similarity with the respective PC. Results have demonstrated that the examined compounds follow common transformation pathways in reaction with ozone and that common TPs were formed through the ozonation of different structurally-alike compounds. Moreover, the toxicity of the identified TPs was predicted with an in-house risk assessment program.
在污水处理厂的臭氧处理过程中，臭氧会与新兴污染物发生反应，这些污染物会在二级处理过程中被部分去除，只要它们与生物转化产物一起，就会引发臭氧转化产物（TPs）的形成。尽管文献中已经报道了母体化合物（PCs）及其代谢物的转化，但迄今为止，尚未对生物转化产物的可能转化进行研究。本研究评估了西酞普兰（CTR）及其四种生物转化产物（DESCTR、CTRAM、CTRAC 和 CTROXO）在臭氧氧化实验中的命运。首次基于高斯曲线趋势分析，在 0.06 至 12 mg/L 的臭氧浓度范围内自动检测 TPs。共检测到 46 种臭氧 TPs；7 种 CTR 的 TPs、10 种 DESCTR 的 TPs、9 种 CTRAM 的 TPs、12 种 CTRAC 的 TPs 和 8 种 CTROXO 的 TPs，并根据其高分辨串联质谱解释和与各自 PC 的串联质谱相似性对其结构进行了阐明。结果表明，所研究的化合物在与臭氧反应时遵循常见的转化途径，并且通过不同结构相似化合物的臭氧氧化形成了常见的 TPs。此外，还使用内部风险评估程序预测了鉴定出的 TPs 的毒性。
