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QSAR Parameters for Toxicity of Organic Chemicals to Nitrobacter
Ist Teil von
Journal of environmental engineering (New York, N.Y.), 1992-01, Vol.118 (1), p.17-37
Ort / Verlag
Reston, VA: American Society of Civil Engineers
Erscheinungsjahr
1992
Beschreibungen/Notizen
Concern for the effects of toxic chemicals on the environment leads the search for better bioassay test organisms and simpler test procedures. Nitrobacter was used successfully as a test organism, and the serum bottle technique presented in this paper is an effective and simple method for determining the 50% inhibition concentration (IC50) of toxic chemicals. A total of 43 phenols, benzenes, and aliphatics, including many chlorinated chemicals, were used in the experiments. The test results (IC50) correlate well with the quantitative-structure-activity-relationship parameters, such as log P, the solvatochromic parameters, and molecular connectivity indexes. Specifically, the QSARs (either with log P or with log S) for nonphenolic toxicants may be used to predict potential toxicity to Nitrobacter. The log P QSAR for phenolic toxicants also is adequate. The solvatochromic parameter QSAR correlates well with all toxicants and is free from a collinearity problem. The molecular connectivity indexes QSAR for each class of toxicant show good correlation. The QSAR for all toxicants also is adequate and free of degrading collinearity.