期刊
BULLETIN OF ENVIRONMENTAL CONTAMINATION AND TOXICOLOGY
卷 83, 期 4, 页码 520-524出版社
SPRINGER
DOI: 10.1007/s00128-009-9811-8
关键词
Herbicides; Toxicity; QSARs; Green algae
资金
- National Basic Research Program of China [2006CB403302]
- National Natural Science Foundation of P. R. China [20337020]
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.
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