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Title: Predicting relative toxicity and interactions of divalent metal ions: Microtox{reg_sign} bioluminescence assay

Both relative toxicity and interactions between paired metal ions were predicted with least-squares linear regression and various ion characteristics. Microtox{reg_sign} 15 min EC50s (expressed as free ion) for Ca(II), Cd(II), Cu(II), Hg(II), Mg(II), Mn(II), Ni(II), Pb(II), and Zn(II) were most effectively modeled with the constant for the first hydrolysis (K{sub H} for M{sup n+} + H{sub 2}O {yields} MOH{sup a{minus}1} + H{sup +}) although other ion characteristics were also significant in regression models. The {vert_bar}log K{sub H}{vert_bar} is correlated with metal ion affinity to intermediate ligands such as many biochemical functional groups with O donor atoms. Further, ordination of metals according to ion characteristics, e.g., {vert_bar}log K{sub H}{vert_bar} facilitated prediction of paired metal interactions. Pairing metals with strong tendencies to complex with intermediate or soft ligands such as those with O or S donor atoms resulted in strong interactions.
Authors:
;  [1]
  1. Savannah River Ecology Lab., Aiken, SC (United States)
Publication Date:
OSTI Identifier:
215598
Resource Type:
Journal Article
Resource Relation:
Journal Name: Environmental Toxicology and Chemistry; Journal Volume: 15; Journal Issue: 3; Other Information: PBD: Mar 1996
Sponsoring Org:
USDOE
Country of Publication:
United States
Language:
English
Subject:
56 BIOLOGY AND MEDICINE, APPLIED STUDIES; CALCIUM; BIOASSAY; CADMIUM; COPPER; MERCURY; MAGNESIUM; MANGANESE; NICKEL; LEAD; ZINC; PHOTOSYNTHETIC BACTERIA; SENSITIVITY; FORECASTING; MATHEMATICAL MODELS