STP971: Implications of Molecular Speciation and Topology of Environmental Metals: Uptake Mechanisms and Toxicity of Organotins

    Brinckman, FE
    Ceramics Chemistry and Bioprocesses Group, National Bureau of Standards, Gaithersburg, MD

    Olson, GJ
    Ceramics Chemistry and Bioprocesses Group, National Bureau of Standards, Gaithersburg, MD

    Blair, WR
    Ceramics Chemistry and Bioprocesses Group, National Bureau of Standards, Gaithersburg, MD

    Parks, EJ
    Ceramics Chemistry and Bioprocesses Group, National Bureau of Standards, Gaithersburg, MD

    Pages: 14    Published: Jan 1988


    Abstract

    This paper compares predictions of environmental fate and effect parameters derived from quantitative structure-activity relationships (QSAR) using estimates of molecular total surface area (TSA) with experimental data. Organotins are used as an example. In addition, a simple linear free-energy relationship with TSA is demonstrated to be applicable to organotin aqueous solubility, chromatographic retentivity, octanol-water partition coefficients and bacterial uptake, and aquatic toxicity. New measurement methodology providing nondestructive optical imaging in vivo of tin employing a fluorescent, tin-specific ligand (3-hydroxyflavone) is used to evaluate a likely mechanism of uptake for triorganotins on cells. Finally, the laboratory results are extended to a preliminary appraisal of environmental persistence of tributyltin, which involves both uptake and degradation processes.

    Keywords:

    topology, molecular predictors, organotins, bioaccumulation, chromatography, organometallic compounds, fluorescence detection, metal-specific imaging, persistence


    Paper ID: STP34042S

    Committee/Subcommittee: E47.04

    DOI: 10.1520/STP34042S


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