Three-Parameter Modeling of the Soil Sorption of Acetanilide and Triazine Herbicide Derivatives

Herbicides have widely variable toxicity and many of them are persistent soil contaminants. Acetanilide and triazine family of herbicides have widespread use, but increasing interest for the development of new herbicides has been rising to increase their effectiveness and to diminish environmental h...

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Bibliographic Details
Published in:Bulletin of environmental contamination and toxicology 2014-02, Vol.92 (2), p.143-147
Main Authors: Freitas, Mirlaine R, Matias, Stella V. B. G, Macedo, Renato L. G, Freitas, Matheus P, Venturin, Nelson
Format: Article
Language:English
Subjects:
Acetanilides - analysis
Acetanilides - chemistry
Adsorption
Applied sciences
Aquatic Pollution
Biological and physicochemical properties of pollutants. Interaction in the soil
Contaminants
Earth and Environmental Science
Ecotoxicology
Environment
Environmental Chemistry
Environmental hazards
Environmental Health
Environmental risk
Exact sciences and technology
Herbicides
Herbicides - analysis
Herbicides - chemistry
linear models
Mathematical models
Models, Chemical
molecular weight
octanol
partition coefficients
Pollution
soil
Soil - chemistry
Soil and sediments pollution
Soil contamination
Soil Pollutants - analysis
Soil Pollutants - chemistry
soil pollution
Soil Science & Conservation
Sorption
triazine herbicides
Triazines - analysis
Triazines - chemistry
Waste Water Technology
Water Management
Water Pollution Control
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Summary:Herbicides have widely variable toxicity and many of them are persistent soil contaminants. Acetanilide and triazine family of herbicides have widespread use, but increasing interest for the development of new herbicides has been rising to increase their effectiveness and to diminish environmental hazard. The environmental risk of new herbicides can be accessed by estimating their soil sorption (logKₒc), which is usually correlated to the octanol/water partition coefficient (logKₒw). However, earlier findings have shown that this correlation is not valid for some acetanilide and triazine herbicides. Thus, easily accessible quantitative structure–property relationship models are required to predict logKₒc of analogues of the these compounds. Octanol/water partition coefficient, molecular weight and volume were calculated and then regressed against logKₒc for two series of acetanilide and triazine herbicides using multiple linear regression, resulting in predictive and validated models.
ISSN:0007-4861
1432-0800
DOI:10.1007/s00128-013-1184-3