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DOI 10.1016/j.scitotenv.2023.163117

Медицинская библиотека · The Science of the total environment · 2023

The determination and prediction of the apparent reaction rates between excited triplet-state DOM and selected PPCPs.

Du Roujia, Zhang Qianxin, Leresche Frank, Zhong Mengmeng, Chen Ping, Huang Jun, Deng Shubo, Rosario-Ortiz Fernando L, Yu Gang

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Аннотация

To determine and predict the reaction rate between 3DOM* and PPCPs in various water bodies, this study defines a reaction rate coefficient ( [Formula: see text] ) to describe the reaction between 3DOM* and PPCPs. As the values also included the inhibition effect of DOM's antioxidant moieties, the calculation of [Formula: see text] is inconsistent with that of a bimolecular rate constant via the steady-state kinetic method. The [Formula: see text] values of 12 selected PPCPs were determined in two DOM solutions and ten DOM-containing water samples collected from typical surface water bodies in Beijing. The Pearson coefficients between nine predictors including the absorbance ratio (E2/E3), specific absorption coefficient at 254 nm (SUVA254), fluorescence index (FI), biological index (BIX), humification index (HIX), pH, total organic carbon (TOC), total fluorescence intensity (TFI) and TOC normalized TFI (TFI/TOC) and [Formula: see text] were examined. Correlation patterns for sulfonamides, β-blockers and diclofenac supported the electron transfer pathway, and was distinctly different from those appeared for FQs where quenching effect played a main part. TFI and TFI/TOC were recognized as the most useful surrogates in empirically predicting [Formula: see text] . For PPCPs that went through the electron transfer pathway, [Formula: see text] could be well fit to the Rehm-Weller model assuming a proportional relationship between TFI and △Get. For FQs, [Formula: see text] was found to linearly correlated with TFI/TOC. The [Formula: see text] values determined in this study enrich the database of PPCPs photolysis parameters, and the correlation analysis provides reference for forecasting PPCPs fate in the aquatic environment.

Для цитирования: Du Roujia, Zhang Qianxin, Leresche Frank, Zhong Mengmeng, Chen Ping, Huang Jun, Deng Shubo, Rosario-Ortiz Fernando L, Yu Gang. The determination and prediction of the apparent reaction rates between excited triplet-state DOM and selected PPCPs.. The Science of the total environment. 2023. DOI: 10.1016/j.scitotenv.2023.163117.
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