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论文类型：期刊论文

发表时间：2009-10-01

发表刊物：BULLETIN OF ENVIRONMENTAL CONTAMINATION AND TOXICOLOGY

收录刊物：SCIE、EI、PubMed、Scopus

卷号：83

期号：4

页面范围：520-524

ISSN号：0007-4861

关键字：Herbicides; Toxicity; QSARs; Green algae

摘要：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.