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Bioassay- and QSAR-based screening of toxic transformation products and their formation under chlorination treatment on levofloxacin
Chen, Miao; Wei, Dongbin; Wang, Feipeng; Yin, Junxia; Li, Min; Du, Yuguo
2021-07-15
Source PublicationJOURNAL OF HAZARDOUS MATERIALS
ISSN0304-3894
Volume414Pages:-
AbstractLevofloxacin (LEV) is a broad-spectrum quinolone antibiotic and widely used for human and veterinary treatment. Overuse of LEV leads to its frequent occurrence in the water environment. In this study, the transformation characteristics of LEV in water during the simulated chlorination disinfection treatment were explored. Fifteen major transformation products (TPs) of LEV were identified, and their plausible formation pathways were proposed. The reaction pathways were strongly dependent on pH condition, and LEV removal was relevant to free available chlorine (FAC) dose. Antibacterial activity of chlorination system was dramatically declined when FAC was more than 3-equivalent (eq) due to the elimination of antibacterial related functional groups. Genotoxicity of chlorination system increased more than 3 times at 0.5-eq of FAC and then decreased with increasing FAC dose, which were in accordance with the relative concentration of toxic TPs estimated by QSAR model. These results implied that the combination of bioassay, QSAR computation and chemical analysis would be an efficient method to screen toxic TPs under chlorination treatment. It is anticipated that the results of this study can provide reference for optimizing operational parameters for water disinfection treatment, and for scientifically evaluating the potential risk of quinolone antibiotics.
Department环境化学与生态毒理学国家重点实验室
KeywordQuinolone Chlorine disinfection In silico method Antibiotic activity Genotoxicity
WOS Research AreaEngineering, Environmental ; Environmental Sciences
Document Type期刊论文
Identifierhttps://ir.rcees.ac.cn/handle/311016/45669
Collection环境化学与生态毒理学国家重点实验室
Affiliation1.Chinese Acad Sci, Res Ctr Ecoenvironm Sci, State Key Lab Environm Chem & Ecotoxicol, Beijing 100085, Peoples R China
2.Univ Chinese Acad Sci, Beijing 100049, Peoples R China
3.North Minzu Univ, Yinchuan 750021, Ningxia, Peoples R China
Recommended Citation
GB/T 7714
Chen, Miao,Wei, Dongbin,Wang, Feipeng,et al. Bioassay- and QSAR-based screening of toxic transformation products and their formation under chlorination treatment on levofloxacin[J]. JOURNAL OF HAZARDOUS MATERIALS,2021,414:-.
APA Chen, Miao,Wei, Dongbin,Wang, Feipeng,Yin, Junxia,Li, Min,&Du, Yuguo.(2021).Bioassay- and QSAR-based screening of toxic transformation products and their formation under chlorination treatment on levofloxacin.JOURNAL OF HAZARDOUS MATERIALS,414,-.
MLA Chen, Miao,et al."Bioassay- and QSAR-based screening of toxic transformation products and their formation under chlorination treatment on levofloxacin".JOURNAL OF HAZARDOUS MATERIALS 414(2021):-.
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