title: Substituent contribution to the genotoxicity of benzophenone-type UV filters.
abstract: Benzophenones (BPs) are widely used in UV filters, fragrance enhancers, and plastic additives. In this study, the genotoxicity of 14 BPs was tested using the SOS/umu assay, and the related substituent contribution was disclosed. The results of this study revealed that the major contributor to the genotoxicity of the BPs was the ortho,para-di-substitution, and the increasing hydroxy substitution on the benzene ring. In addition, the higher the dispersion of the substituent species on the two benzene rings, the lower the genotoxicity exhibited by the compound. Furthermore, 2 dimensional and 3 dimenional quantitative structure-activity relationships (2D- and 3D-QSAR) studies indicated that hydrogen-bond interactions and electrostatic effects were determinants for the genotoxicity of the BPs. The current results provide useful information for the assessment of the potential ecological risk and health effects of BP-type UV filters.
authors.affiliation: State Key Laboratory of Environmental Chemistry and Ecotoxicology, Research Center for Eco-Environmental Sciences, Chinese Academy of Sciences, Beijing 100085, PR China. wyuchemys10zhm@126.com
authors.forename: Huimin
authors.initials: H
authors.lastname: Zhao
authors.forename: Dongbin
authors.initials: D
authors.lastname: Wei
authors.forename: Min
authors.initials: M
authors.lastname: Li
authors.forename: Yuguo
authors.initials: Y
authors.lastname: Du
mesh_terms: D001577:Benzophenones / Q000633:toxicity*; D005374:Filtration; D009152:Mutagenicity Tests; D021281:Quantitative Structure-Activity Relationship
chemical_list: D001577:Benzophenones
keywords: Benzophenone; Genotoxicity; QSAR; SOS/umu assay; UV filter