title: QSAR for organic chemical bioconcentration in Daphnia, algae, and mussels.
abstract: Prediction of the bioconcentration of organic chemicals from water by aquatic organisms has important applications in the management of hazardous chemicals. This study gives a compilation of bioconcentration factors on a wet weight basis (BCFw) of 52 organic chemicals by Daphnia magna from aqueous solution. The bioconcentration factors for the chemicals in Daphnia were successfully correlated with their n-octanol/water partition coefficients (log Kow) using a linear regression analysis. In addition to the ordinary least-square regression technique, the geometric mean regression technique is also used because this takes into account deviations in Kow values. Both results show that the Kow value of a chemical is a good predictor of the BCF in Daphnia. The BCF-Kow relationships between Daphnia, algae (Chlorella), and mussels (Mytilus edulis) are compared with each other.
authors.affiliation: Institut für Okologische Chemie, Gesellschaft für Strahlen- und Umweltforschung, Neuherberg, FRG.
authors.forename: H J
authors.initials: HJ
authors.lastname: Geyer
authors.forename: I
authors.initials: I
authors.lastname: Scheunert
authors.forename: R
authors.initials: R
authors.lastname: Brüggemann
authors.forename: C
authors.initials: C
authors.lastname: Steinberg
authors.forename: F
authors.initials: F
authors.lastname: Korte
authors.forename: A
authors.initials: A
authors.lastname: Kettrup
mesh_terms: D000818:Animals; D049872:Bivalvia / Q000378:metabolism*; D002708:Chlorella / Q000378:metabolism*; D003621:Daphnia / Q000378:metabolism*; D007700:Kinetics; D008433:Mathematics; D013329:Structure-Activity Relationship; D015262:Xenobiotics / Q000737:chemistry / Q000378:metabolism*
chemical_list: D015262:Xenobiotics