取代基在 UV/Peroxydisulfate 处理下去除新出现的氟化液晶单体污染物中的作用,ACS ES&T Engineering

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取代基在 UV/Peroxydisulfate 处理下去除新出现的氟化液晶单体污染物中的作用
ACS ES&T Engineering ( IF 7.4 ) Pub Date : 2022-12-15 , DOI: 10.1021/acsestengg.2c00373
Shaoxiong He ₁ , Enya Wu ₁ , Mingjie Shen ₁ , Haodong Ji ₂ , Lixi Zeng ₁ , Mingshan Zhu ₁

Affiliation

氟化液晶单体 (LCM) 已被确定为具有不可忽略的环境浓度的新兴持久性和生物累积性化学品。在此，选择 12 种氟化 LCM，包括高度检测的 4-乙氧基-2,3-二氟-4'-（反式-4-丙基环己基）联苯（EDPB）作为目标氟化 LCM，通过紫外线/过二硫酸盐研究它们的结构-反应性关系(UV/PDS) 处理。含联苯和乙氧基的 EDPB 的一级降解速率常数最高，为 1.93 h ^–1，而含乙氧基 (1.10–1.26 h ^–1 ) 和联苯 (0.45–0.56 h ^–1 ) 且不含联苯或乙氧基的氟化 LCM 的一级降解速率常数最高(0.27–0.30 h ^–1 ) 连续下降。HO ^•和 SO₄^•–被确定为 UV/PDS 处理中的主要氧化物质。理论计算表明，联苯和乙氧基可以显着改变 LCM 分子的电子分布，为 HO ^•和 SO ₄^{•–提供更多可攻击位点}在具有联苯或乙氧基的 LCM 上。草酸、环己烷和双环己烷是氟化 LCM 的主要降解产物，尽管它们的降解途径由它们不同的分子结构决定。毒性估计表明，具有高急性毒性和发育毒性的氟化LCMs可以分解成一些毒性较小的最终产物。这项研究有望通过 UV/PDS 处理填补氟化 LCM 的结构-活性关系方面的知识空白。

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Role of Substituents in the Removal of Emerging Fluorinated Liquid Crystal Monomer Pollutants under the UV/Peroxydisulfate Treatment

Fluorinated liquid crystal monomers (LCMs) have been identified as emerging persistent and bioaccumulative chemicals with non-negligible environmental concentrations. Herein, 12 fluorinated LCMs including highly detected 4-ethoxy-2,3-difluoro-4′-(trans-4-propylcyclohexyl)biphenyl (EDPB) were selected as target fluorinated LCMs to investigate their structure–reactivity relationships by the ultraviolet/peroxydisulfate (UV/PDS) treatment. EDPB with biphenyl and ethoxy showed the highest first-order degradation rate constant of 1.93 h^–1, while that of fluorinated LCMs with ethoxy (1.10–1.26 h^–1) and biphenyl (0.45–0.56 h^–1) and without biphenyl or ethoxy (0.27–0.30 h^–1) decreased sequentially. HO^• and SO₄^•– were identified as the main oxidative species in the UV/PDS treatment. Theoretical calculation suggested that biphenyl and ethoxy can significantly alter the electron distribution of LCM molecules, providing more attackable sites for HO^• and SO₄^•– on LCMs with biphenyl or ethoxy. Oxalic acid, cyclohexane, and bicyclohexane were the main degradation products of fluorinated LCMs even though their degradation pathways were determined by their different molecular structures. Toxicity estimation revealed that fluorinated LCMs with high acute toxicity and developmental toxicity could be decomposed into some final products with less toxicity. This study is expected to fill knowledge gaps in the structure–activity relationships of fluorinated LCMs by the UV/PDS treatment.

更新日期：2022-12-15

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