在化-臭氧化过程中揭示化和化DBP:DFT驱动的形成途径从氨酸和毒性评估
Yao Lu1,2, Pin Wang3, Hui-Xian Hu4
1Department of Civil and Environmental Engineering, The Hong Kong Polytechnic University, Hung Hom, Kowloon, Hong Kong, China.
Environmental science & technology
|February 27, 2026
概括
预化后的臭氧化 (NH2Cl-O3) 过程减少了酸盐,但增加了有毒的化和化消毒副产品 (DBPs). 这些DBP是由前体L-tyrosine形成的,具有显著的毒性,需要优化水处理策略.
科学领域:
- 环境化学环境化学
- 水处理技术水处理技术
- 毒理学 毒理学 毒理学
背景情况:
- 酸盐 (BrO3-) 是一种受监管的消毒副产品,在饮用水中引起关注.
- 传统的消毒方法,如化和臭氧化,可以导致各种消毒副产品 (DBPs) 的形成.
- 结合前化和臭氧化 (NH2Cl-O3) 过程的有效性在缓解酸盐形成方面得到了探索.
研究的目的:
- 研究NH2Cl-O3工艺对化和化DBPs形成的影响.
- 为了识别和量化在有机前体如L-tyrosine,L-tryptophan和酸的存在下形成的DBPs.
- 评估已识别的DBP的毒性,并与现有的DBP和酸盐进行比较.
主要方法:
- 非定位超高性能液体染色学-轨道探测器双重质谱学 (UHPLC-轨道探测器-MS/MS) 用于DBP识别.
- 密度函数理论 (DFT) 计算以阐明DBP形成路径.
- 定量结构-活性关系 (QSAR) 建模和细胞毒性测定用于毒性评估.
- 使用苏瓦尼河酸 (SRHA) 和废水废水进行依赖于矩阵的验证.
主要成果:
- 与单个NH2Cl或O3处理相比,NH2Cl-O3过程显著增加了基和基DBP的数量和丰度.
- 鉴定了多种化DBP,包括芳香烯酸和衍生物,其度达到几十微克/升.
- 证实了涉及胺介导N-化和O3驱动氧化的形成途径.
- 鉴定到的芳香色 halo-DBPs 与传统的 DBPs 和酸盐具有相似或更高的毒性.
结论:
- 在NH2Cl-O3过程中提出了一个权衡,有效地减少酸盐,但增加了有毒的有机DBPs的形成.
- 有机前体在很大程度上促进了这些DBP的增强生产及其相关的毒性.
- 优化的水消毒策略对于同时控制酸盐和有毒有机DBPs至关重要.
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