Reactive molecular dynamics insights into oxidation-induced degradation of ofloxacin and toxicity assessment of its transformation products
Year: 2026
Type: article
Abstract: an indirect, multistep mechanism involving electronic redistribution and structural relaxation. QSAR-based toxicity predictions reveal a progressive detoxification trend under consecutive oxidation: whereas early intermediates retain toxic and mutagenic characteristics, advanced-stage products exhibit markedly reduced acute aquatic toxicity, lower bioconcentration potential and, where predictable, suppressed mutagenicity. Where it occurs, defluorination eliminates the pharmacophoric functionality of OFX and facilitates subsequent oxidative fragmentation. These findings demonstrate that sustained oxidative exposure is essential for effective (plasma-driven) detoxification of fluoroquinolone antibiotics and provide atomistic insights for optimizing (plasma-based) advanced oxidation processes in wastewater treatment.
Source: RSC Advances
DOI: 10.1039/d6ra06710g
Institutions: Academy of Sciences Republic of Uzbekistan, Institute of Ion Plasma Laser Technologies, Tashkent International University of Education, Tashkent Institute of Irrigation and Agricultural Mechanization Engineers, University of Antwerp, Tashkent State Technical University named after Islam Karimov, Central Asian University
Language: English
Subfield: Water Science and Technology
Field: Environmental Science
Domain: Physical Sciences
Open Access status: gold
Estimated APC paid: $1,042
OpenAlex ID: W7225190355