Application of QSARs, extrapolation and equilibrium partitioning in aquatic effects assessment. I. Narcotic industrial pollutants

Authors

  • Cees J. Van Leeuwen,

    Corresponding author
    1. Directorate-General For Environmental Protection, P.O. Box 450, 2260 MB Leidschendam, The Netherlands
    • Directorate-General For Environmental Protection, P.O. Box 450, 2260 MB Leidschendam, The Netherlands
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  • Peter T. J. Van Der Zandt,

    1. Directorate-General For Environmental Protection, P.O. Box 450, 2260 MB Leidschendam, The Netherlands
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  • Tom Aldenberg,

    1. National Institute of Public Health and Environmental Protection, P.O. Box 1, 3720 BA Bilthoven, The Netherlands
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  • Henk J.M. Verhaar,

    1. Research Institute of Toxicology, University of Utrecht, P.O. Box 80176, 3508 TD Utrecht, The Netherlands
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  • Joop L.M. Hermens

    1. Research Institute of Toxicology, University of Utrecht, P.O. Box 80176, 3508 TD Utrecht, The Netherlands
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Abstract

Quantitative structure–activity relationship (QSAR) estimates of toxicity of narcotic chemicals for 19 species of bacteria, algae, fungi, protozoans, coelenterates, rotifers, molluscs, crustaceans, insects, fish, and amphibians were used to predict no-effect levels (NELs) at the ecosystem level by means of recently developed extrapolation methods. Equilibrium partitioning theory was used to derive NELs for aquatic sediments and internal toxicant concentrations for aquatic organisms. A simple table is given from which NELs for narcotic chemicals for water, sediment, and residues in biota can be predicted on the basis of only the octanol/water partition coefficient and molecular weight. The method may be applied to setting quality criteria for the aquatic environment and to ecotoxicological interpretation of (bio)monitoring data. Calculations were carried out for 102 narcotic compounds.

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