title: Study on acute toxicity and structure-activity relationship of Daphnia magna exposed to naphthoquinones.
abstract: The acute toxicities of the six naphthoquinone compounds on Daphnia magna (D. magna) at 48 h were classified as harmful, toxic, and very toxic. The results indicated that logP played an important part in the toxicity of compounds to organism. And 1-carbonyl or the other hydrophobic substituents of the naphthoquinone compounds are likely to mediate the binding of the compound to the target via hydrogen bonding and hydrophobic interactions. Our results provided a foundation for further investigation using 3D-QSAR and HQSAR to evaluate the aquatic ecological risk and the mechanism of toxicity of naphthoquinones.
authors.affiliation: School of Environmental and Chemical Engineering, Tianjin Polytechnic University, No. 63 Chenglin Road, Hedong District, Tianjin 300160, China. songwenhua9316@sina.com
authors.forename: Wenhua
authors.initials: W
authors.lastname: Song
authors.forename: Jing
authors.initials: J
authors.lastname: Guo
authors.forename: Feng
authors.initials: F
authors.lastname: Ding
authors.forename: Weixuan
authors.initials: W
authors.lastname: Hu
authors.forename: Zhen
authors.initials: Z
authors.lastname: Li
authors.forename: Minling
authors.initials: M
authors.lastname: Gao
mesh_terms: D020003:1-Octanol / Q000737:chemistry; D000818:Animals; D003621:Daphnia; D006860:Hydrogen Bonding; D057927:Hydrophobic and Hydrophilic Interactions; D009285:Naphthoquinones / Q000737:chemistry / Q000633:toxicity*; D021281:Quantitative Structure-Activity Relationship; D014874:Water Pollutants, Chemical / Q000737:chemistry / Q000633:toxicity*
chemical_list: D009285:Naphthoquinones; D014874:Water Pollutants, Chemical; D020003:1-Octanol