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(83-02) Identification of Weak Acid Respiratory Uncouplers by Vibrio fisheri Data. Ren, Shijin*,1,2, Frymier, Paul1,2, 1 Department of Chemical Engineering, Knoxville, Tennessee2 Center for Environmental Biotechnology, Knoxville, Tennessee ABSTRACT- Quantitative structure-activity relationships (QSARs) have been used in environmental toxicology for toxicity assessment when little or no empirical data are available. The most successful QSARs have been developed by separating toxicants by their mechanisms of action (MOAs). Weak acid respiratory uncouplers represent a distinct MOA among the mechanisms. A method was developed to distinguish weak acid respiratory uncouplers from compounds having other MOA using discriminant analysis. The method was based on the logarithm of the octanol-water partition coefficient (log(Kow)) which quantifies hydrophobicity, and the toxicity data of the Vibrio fisheri bioluminescence assay. The Vibrio fisheri toxicity data obtained at 5, 10, and 15 minutes of contact time were normalized to the 5 minute data, and it was found that only the log(Kow) and the normalized 15 minute data were needed in the discriminant analysis. Key words: mechanism of action, weak acid respiratory uncouplers, Vibrio fisheri, discriminant analysis |
