Fingerprinting the reactive toxicity pathways of 50 drinking water disinfection by-products

Water Research
Daniel StalterBeate I Escher

Abstract

A set of nine in vitro cellular bioassays indicative of different stages of the cellular toxicity pathway was applied to 50 disinfection by-products (DBPs) to obtain a better understanding of the commonalities and differences in the molecular mechanisms of reactive toxicity of DBPs. An Eschericia coli test battery revealed reactivity towards proteins/peptides for 64% of the compounds. 98% activated the NRf2-mediated oxidative stress response and 68% induced an adaptive stress response to genotoxic effects as indicated by the activation of the tumor suppressor protein p53. All DBPs reactive towards DNA in the E. coli assay and activating p53 also induced oxidative stress, confirming earlier studies that the latter could trigger DBP's carcinogenicity. The energy of the lowest unoccupied molecular orbital ELUMO as reactivity descriptor was linearly correlated with oxidative stress induction for trihalomethanes (r(2)=0.98) and haloacetamides (r(2)=0.58), indicating that potency of these DBPs is connected to electrophilicity. However, the descriptive power was poor for haloacetic acids (HAAs) and haloacetonitriles (r(2) (<) 0.06). For HAAs, we additionally accounted for speciation by including the acidity constant with ELUMO in a tw...Continue Reading

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Citations

Jun 3, 2017·Environmental Science. Processes & Impacts·Andreas BaumerBeate I Escher
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Aug 30, 2019·The Science of the Total Environment·Chen ZhongQingguo Huang
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Aug 5, 2017·Journal of Environmental Sciences (China)·Justin A PalsMatias S Attene-Ramos
Jul 13, 2019·Ecotoxicology and Environmental Safety·Yixing FengBing Shao
Dec 22, 2019·Water Research·Mustafa IqbalRobert C Andrews
Jul 18, 2019·Chemical Research in Toxicology·Beate I EscherRita Schlichting
Jul 23, 2019·Chemical Research in Toxicology·Fabian C FischerBeate I Escher
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Jul 3, 2018·Environmental Science & Technology·Shengkun DongMichael J Plewa
Jul 1, 2020·Environmental Science & Technology·Devon Manley Bulman, Christina K Remucal
Mar 24, 2020·Chemical Research in Toxicology·Dayong TianXing-Fang Li

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