Abstract：
:Fludioxonil has been proven valuable as a broad-spectrum fungicide. However, there are concerns about its risk posed to non-target organisms in aquatic environments. In this paper, the mechanism, photoproducts transformation and eco-toxicity of fludioxonil during •OH/1O2-initiated process were systematically studied using quantum chemistry and computational toxicology. The results indicate that the two favorable pathways of •OH/1O2-initiated reactions are both occurred in pyrrole ring. It can conclude that the rate constants of •OH and 1O2 are 1.23 × 1010 and 3.69 × 107 M-1 s-1 at 298K, respectively, which results in half-lives of <2 days in surface waters under sunlit near-surface conditions. Based on toxicity assessments, these photoproducts showed a decreased aquatic toxicity but the majority products are still toxic. This study gives more insight into the chemical transformation mechanism of fludioxonil in aquatic environments.
journal_name
Ecotoxicol Environ Safjournal_title
Ecotoxicology and environmental safetyauthors
Yang J,Wang Z,Lv G,Liu W,Wang Y,Sun X,Gao Jdoi
10.1016/j.ecoenv.2020.110644subject
Has Abstractpub_date
2020-07-01 00:00:00pages
110644eissn
0147-6513issn
1090-2414pii
S0147-6513(20)30483-8journal_volume
197pub_type
杂志文章abstract：:Present study described a magnetic adsorption and removal method with prepared magnetic core-shell Fe3O4@polyaniline microspheres for the removal of two typical BFRs, tetrabromobisphenol-A (TBBPA) and decabromodiphenyl ether (BDE-209) from water samples. Magnetic core-shell Fe3O4@polyaniline microspheres were prepared...
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journal_title：Ecotoxicology and environmental safety
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journal_title：Ecotoxicology and environmental safety
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journal_title：Ecotoxicology and environmental safety
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