New theoretical investigation of mechanism, kinetics, and toxicity in the degradation of dimetridazole and ornidazole by hydroxyl radicals in aqueous phase.
Degradation mechanism
Dimetridazole (DMZ)
Kinetic computation
Ornidazole (ONZ)
Toxicity evaluation
Journal
Journal of hazardous materials
ISSN: 1873-3336
Titre abrégé: J Hazard Mater
Pays: Netherlands
ID NLM: 9422688
Informations de publication
Date de publication:
15 01 2022
15 01 2022
Historique:
received:
25
05
2021
revised:
14
08
2021
accepted:
15
08
2021
pubmed:
28
8
2021
medline:
15
12
2021
entrez:
27
8
2021
Statut:
ppublish
Résumé
Dimetridazole (DMZ) and ornidazole (ONZ) have been widely used to treat anaerobic and protozoal infections. The residues of DMZ/ONZ persist in the water environment. The mechanisms and kinetics of hydroxyl-initiated oxidation, the primary DMZ/ONZ degradation method, were evaluated by quantum chemical methods.·OH-induced degradation of DMZ and ONZ shared many mechanistic and kinetic characteristics. The most feasible degradation pathway involved forming OH-imidazole adducts and NO
Identifiants
pubmed: 34449347
pii: S0304-3894(21)01898-7
doi: 10.1016/j.jhazmat.2021.126930
pii:
doi:
Substances chimiques
Water
059QF0KO0R
Hydroxyl Radical
3352-57-6
Ornidazole
62XCK0G93T
Dimetridazole
K59P7XNB8X
Types de publication
Journal Article
Research Support, Non-U.S. Gov't
Langues
eng
Sous-ensembles de citation
IM
Pagination
126930Informations de copyright
Copyright © 2021 Elsevier B.V. All rights reserved.