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Estimating bioconcentration factors, lethal concentrations and critical body residues of metals in the mollusks Perna viridis and Mytilus edulis using ion characteristics
Author(s) -
van Kolck Maurits,
Huijbregts Mark A.J.,
Veltman Karin,
Hendriks A. Jan
Publication year - 2008
Publication title -
environmental toxicology and chemistry
Language(s) - English
Resource type - Journals
SCImago Journal Rank - 1.1
H-Index - 171
eISSN - 1552-8618
pISSN - 0730-7268
DOI - 10.1897/07-224r.1
Subject(s) - bioconcentration , mytilus , perna viridis , environmental chemistry , mussel , chemistry , metal , ecology , bioaccumulation , biology , organic chemistry
Quantitative structure–activity relationships (QSARs) for metal bioconcentration factors (BCF) and median acute lethal water concentrations (LC50) were developed for two species of mollusks, Perna viridis and Mytilus edulis . These endpoints were related to four metal ion characteristics, the covalent index (χ 2 m r ) ( r represents the ion radius in Å), the softness index (σ p ), the hydrolysis constant ( K oh ) and the ionic index ( Z 2 / r ). The BCF and LC50 were significantly correlated to χ 2 m r . The coefficients of determination r 2 for the relationships with other metal descriptors were much lower. Critical body residue (CBR) QSARs were derived by multiplying the χ 2 m r ‐based BCF and LC50 regressions. The CBRs were independent of the covalent index χ 2 m r , as BCF and LC50 scaled to χ 2 m r with slope that had opposite signs. Comparison of the estimated CBRs with independent empirical values confirmed the predicted trends, but substantial deviations were noted too.