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(P638) Advances in Quantitative Ion Character Activity Relationships (QICARs): Binary Mixtures.
Ownby, David*,1, Newman, Michael2, 1 Southern Illinois University Carbondale, Carbondale, IL, USA2 Virginia Institute of Marine Science/College of William and Mary, Gloucester Point, VA, USA
ABSTRACT- Environmental toxicologists adopted QSARs from the pharmaceutical profession fairly early on to aid in the prediction of organic contaminant toxicity. In contrast, models relating metal ion characteristics to their bioactivity remain underutilized. Quantitative Ion Character Activity Relationships (QICARs) have recently been developed to predict metal toxicity. The QICAR approach based on metal-ligand binding tendencies has been applied to a wide range of effects, species, and media on a single metal basis. Here, QICAR modeling is extended to predict toxicity of binary mixtures using two simple, sensitive, well-characterized, and rapid test systems: Microtox® and the 24-h C. elegans mortality tests. Using the Microtox® bioassay, we quantified the interaction of binary mixtures of metals (Cu, Mn, Ni, Co, and Zn) with a regression model incorporating an interaction term. A predictive regression model of the metal interaction and the difference in the softness parameter for the paired metals was produced. In the 24-h C. elegans mortality test, we quantified the interaction of six pairs of metals (Cu, Ni, Co, and Zn in binary mixtures). A predictive model of metal interaction and Z2/r was developed.
Key words: QSAR, additivity, metals, mixtures
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