QSAR for organic chemical bioconcentration in Daphnia, algae, and mussels

Sci Total Environ. 1991 Dec:109-110:387-94. doi: 10.1016/0048-9697(91)90193-i.

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.

Publication types

  • Comparative Study

MeSH terms

  • Animals
  • Bivalvia / metabolism*
  • Chlorella / metabolism*
  • Daphnia / metabolism*
  • Kinetics
  • Mathematics
  • Structure-Activity Relationship
  • Xenobiotics / chemistry
  • Xenobiotics / metabolism*

Substances

  • Xenobiotics