Using HPLC Retention Parameters to Estimate Fish Bioconcentration Factors of Organic Compounds

Abstract

Reversed‐phase high performance liquid chromatography (RP‐HPLC) was employed to develop predictive models for fish bioconcentration factors (BCF) of organic compounds. Estimation of BCF from RP‐HPLC retention parameters on octadecyl‐bonded silica gel (ODS), cyanopropyl‐bonded silica gel (CN), and phenyl‐bonded silica gel (Ph) columns were investigated. The results show that, for a set of compounds belonging to different chemical classes, the CN stationary phase is the best one among the three columns and better than n‐octanol/water model for BCF estimation. A multi‐column RP‐HPLC model, using the retention parameters on the CN and Ph columns as the variables of multiple linear regression equations, was further evaluated to estimate BCF of organic compounds belonging to different chemical classes, and the results show that the multi‐column RP‐HPLC model is better than that of any single RP‐HPLC column for BCF estimation.

Keywords:

• Retention parameters
• Bioconcentration
• HPLC
• Linear regression

Acknowledgments

Financial support from the Science and Technology Foundation of Liaoning Province is gratefully acknowledged. The authors thank Dr. Karl‐Werner Schramm, Prof. Jingwen Chen, and Prof. Lefeng Zhang for many helpful and valuable comments on the manuscript.