title: Mechanism-based quantitative structure-activity relationships on toxicity of selected herbicides to Chlorella vulgaris and Raphidocelis subcapitata.
abstract: Four quantitative structure-activity relationships were developed for toxicity of selected photosynthesis (PHS) inhibitors and acetolactate synthase (ALS) inhibitors to Chlorella Vulgaris and Raphidocelis subcapitata using a mechanism-based approach. These models have good fitness and predictive ability. The potential of electron transfer, intermolecular interactions with weak electron-transfer, and intermolecular dispersive interactions between PHS inhibitors and the active site of action are key factors influencing the toxicity of these PHS inhibitors. Intermolecular weak electron-transfer interactions and intermolecular dispersive interactions mainly determine the toxicity of these ALS inhibitors. Sulfonyl is an important functional group governing the toxicity of ALS inhibitors investigated.
authors: Key Laboratory of Industrial Ecology and Environmental Engineering (MOE), Department of Environmental Science and Technology, Dalian University of Technology, Linggong Road 2, 116024 Dalian, People's Republic of China. guanghuid2001@yahoo.com.cn
authors: Guanghui
authors: G
authors: Ding
authors: Xue
authors: X
authors: Li
authors: Fan
authors: F
authors: Zhang
authors: Jingwen
authors: J
authors: Chen
authors: Liping
authors: L
authors: Huang
authors: Xianliang
authors: X
authors: Qiao
mesh_terms: D048408:Chlorella vulgaris / Q000187:drug effects; D000460:Chlorophyta / Q000187:drug effects; D006540:Herbicides / Q000633:toxicity*; D008954:Models, Biological; D021281:Quantitative Structure-Activity Relationship; D014874:Water Pollutants, Chemical / Q000633:toxicity*
chemical_list: D006540:Herbicides; D014874:Water Pollutants, Chemical