Genotoxicity of quinolone antibiotics in chlorination disinfection treatment: formation and QSAR simulation

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• 作者：Min Li ; Dongbin Wei ; Yuguo Du
• 关键词：Quinolone ; Chlorination ; Disinfection ; Genotoxicity ; QSAR ; CoMSIA
• 刊名：Environmental Science and Pollution Research
• 出版年：2016
• 出版时间：October 2016
• 年：2016
• 卷：23
• 期：20
• 页码：20637-20645
• 全文大小：646 KB
• 刊物类别：Earth and Environmental Science
• 刊物主题：Environment
  Environment
  Atmospheric Protection, Air Quality Control and Air Pollution
  Waste Water Technology, Water Pollution Control, Water Management and Aquatic Pollution
  Industrial Pollution Prevention
  
• 出版者：Springer Berlin / Heidelberg
• ISSN：1614-7499
• 卷排序：23

文摘

Lots of unexpected disinfection by-products were formed during the chlorination disinfection of contaminated water bodies, leading to a potential threat to human health and ecological safety. In this study, SOS/umu assay was used to trace the genotoxicity variation of 20 quinolone compounds during the chlorination disinfection. Furthermore, two- and three-dimensional quantitative structure-activity relationship models were developed based on the electronic and hydrophobic properties of the quinolones, which were used to quantify the impact of the different structural features of the compounds on their genotoxicity variation. The results revealed that quinolones bearing hydrophilic substituents with less H-bond donors and negative charge at the 1-position of the quinolone ring exhibited a positive correlation with genotoxicity elevation. More notably, the chlorination of quinolones in both ultrapure water and secondary effluent matrices provided comparable levels of genotoxicity, indicating that our research could potentially be used to evaluate the environmental risk of quinolone antibiotics in chlorination disinfection treatment.