Mn(III)-mediated bisphenol a degradation: Mechanisms and products

•Mn(III) associated with the surface of MnO2 contributes to BPA degradation.•Mn(III)- and MnO2-mediated degradation of BPA differ mechanistically.•Mechanistic differences lead to products with distinct toxicological profiles.•Mn(III)-mediated BPA degradation should be considered in natural attenuati...

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Vydané v:	Water research (Oxford) Ročník 235; číslo 1; s. 119787
Hlavní autori:	Sun, Yanchen, Wang, Chao, May, Amanda L., Chen, Gao, Yin, Yongchao, Xie, Yongchao, Lato, Ashley M., Im, Jeongdae, Löffler, Frank E.
Médium:	Journal Article
Jazyk:	English
Vydavateľské údaje:	England Elsevier Ltd 15.05.2023 Elsevier
Predmet:	Benzhydryl Compounds - chemistry Bisphenol A Degradation pathway INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CHEMISTRY Manganese Compounds - chemistry Mn(III) MnO2 oxidation Oxidation-Reduction Oxides - chemistry Phenols - chemistry Quantum chemical calculations species tandem mass spectrometry water MnO2 Bisphenol A Quantum chemical calculations Mn(III) Degradation pathway MnO
ISSN:	0043-1354, 1879-2448, 1879-2448
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Shrnutí:	•Mn(III) associated with the surface of MnO2 contributes to BPA degradation.•Mn(III)- and MnO2-mediated degradation of BPA differ mechanistically.•Mechanistic differences lead to products with distinct toxicological profiles.•Mn(III)-mediated BPA degradation should be considered in natural attenuation assessments. Bisphenol A (BPA) is a high production volume chemical with potential estrogenic effects susceptible to abiotic degradation by MnO2. BPA transformation products and reaction mechanisms with MnO2 have been investigated, but detailed process understanding of Mn(III)-mediated degradation has not been attained. Rapid consumption of BPA occurred in batch reaction vessels with 1 mM Mn(III) and 63.9 ± 0.7% of 1.76 ± 0.02 μmol BPA was degraded in 1 hour at circumneutral pH. BPA was consumed at 1.86 ± 0.09-fold higher rates in vessels with synthetic MnO2 comprising approximately 13 mol% surface-associated Mn(III) versus surface-Mn(III)-free MnO2, and 10–35% of BPA transformation could be attributed to Mn(III) during the initial 10-min reaction phase. High-resolution tandem mass spectrometry (HRMS/MS) analysis detected eight transformation intermediates in reactions with Mn(III), and quantum calculations proposed 14 BPA degradation products, nine of which had not been observed during MnO2-mediated BPA degradation, suggesting mechanistic differences between Mn(III)- versus MnO2-mediated BPA degradation. The findings demonstrate that both Mn(III) and Mn(IV) can effectively degrade BPA and indicate that surface-associated Mn(III) increases the reactivity of synthetic MnO2, offering opportunities for engineering more reactive oxidized Mn species for BPA removal. [Display omitted]
Bibliografia:	ObjectType-Article-1 SourceType-Scholarly Journals-1 ObjectType-Feature-2 content type line 23 USDOE Polycarbonate/BPA Global Group of the American Chemistry Council (ACC) AC05-00OR22725
ISSN:	0043-1354 1879-2448 1879-2448
DOI:	10.1016/j.watres.2023.119787