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Mechanism-based quantitative structure-activity relationships on toxicity of selected herbicides to Chlorella vulgaris and Raphidocelis subcapitata.

Authors
Type
Published Article
Journal
Bulletin of Environmental Contamination and Toxicology
1432-0800
Publisher
Springer-Verlag
Publication Date
Volume
83
Issue
4
Pages
520–524
Identifiers
DOI: 10.1007/s00128-009-9811-8
PMID: 19582361
Source
Medline
License
Unknown

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.

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