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Indexed by:期刊论文

Date of Publication:2009-10-01

Journal:BULLETIN OF ENVIRONMENTAL CONTAMINATION AND TOXICOLOGY

Included Journals:SCIE、EI、PubMed、Scopus

Volume:83

Issue:4

Page Number:520-524

ISSN No.:0007-4861

Key Words:Herbicides; Toxicity; QSARs; Green algae

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.