Environmental Simulation and Pollution Control State Key Joint Laboratory, State Environmental Protection Key Laboratory of Microorganism Application and Risk Control (SMARC), Guangdong Provincial Engineering Research Center for Urban Water Recycling and Environmental Safety, Institute of Environment and Ecology, Tsinghua-Berkeley Shenzhen Institute, Tsinghua Shenzhen International Graduate School, Tsinghua University, Shenzhen 518055, PR China.
State Key Laboratory of Environmental Criteria and Risk Assessment, Chinese Research Academy of Environmental Sciences, Beijing 100012, PR China.
J Hazard Mater. 2022 Mar 5;425:127827. doi: 10.1016/j.jhazmat.2021.127827. Epub 2021 Nov 21.
Tannic acid is ubiquitously present in various simulated and real water sources and in wastewater. Various chlorinated disinfection byproducts (Cl-DBPs) are generated via reactions with tannic acid during disinfection with chlorine. We used high-resolution mass spectrometry in combination with our self-developed halogen extraction code to selectively identify Cl-DBPs. Our strategy enabled successful detection of 35 Cl-DBP formulas formed by chlorination of tannic acid, and we identified 26 of these structures. The structures of 17 novel Cl-DBPs are firstly reported here. The reaction pathways of these Cl-DBPs were tentatively proposed. These Cl-DBPs are likely to be generated during chlorination at various chlorine doses, from 0.0 to 10.0 mg-Cl/L, and 14 of the 26 Cl-DBPs were detected in simulated drinking water, which implies a relatively high probability of incidence. Quantitative structure-activity relationship toxicity analyses predicted that most of these Cl-DBPs would exhibit much higher acute toxicity than the common DBPs trichloromethane and monochloroacetic acid and that some of these compounds would induce developmental toxicity and be mutagenic, which further emphasizes that these Cl-DBPs should raise concerns. This study broadens our understanding of the Cl-DBPs formed from tannic acid and should prompt wider application of our analytical strategy in environmental matrices.
鞣酸广泛存在于各种模拟和实际水源以及废水中。在使用氯进行消毒时，鞣酸会与氯发生反应，生成各种氯化消毒副产物（Cl-DBPs）。我们使用高分辨率质谱结合我们自主开发的卤素提取代码，选择性地鉴定 Cl-DBPs。我们的策略成功地检测到了鞣酸氯化生成的 35 种 Cl-DBP 公式，并鉴定出其中的 26 种结构。这里首次报道了 17 种新型 Cl-DBPs 的结构。这些 Cl-DBPs 的反应途径被初步提出。这些 Cl-DBPs 可能在不同氯剂量（0.0 至 10.0 mg-Cl/L）的氯化过程中生成，在模拟饮用水中检测到了其中的 14 种，这意味着它们的发生率相对较高。定量构效关系毒性分析预测，这些 Cl-DBPs 中的大多数将表现出比常见的 DBPs 三氯甲烷和一氯乙酸更高的急性毒性，其中一些化合物会引起发育毒性和致突变性，这进一步强调了这些 Cl-DBPs 应该引起关注。本研究拓宽了我们对鞣酸形成的 Cl-DBPs 的认识，并应促使我们的分析策略更广泛地应用于环境基质中。
