Estimating metabolic biotransformation rates in fish from laboratory data

Environmental Toxicology and Chemistry - Tập 27 Số 2 - Trang 341-351 - 2008
Jon A. Arnot1, Don Mackay1, Mark Bonnell2
1The Canadian Environmental Modelling Centre, Trent University, 1600 West Bank Drive, Peterborough, Ontario K9H 7B8
2Science and Technology Division, Environment Canada, 351 St‐Joseph Boulevard, Gatineau, Quebec K1A 0H3

Tóm tắt

AbstractA method is proposed for estimating metabolic biotransformation rate constants for nonionic organic chemicals from measured laboratory bioconcentration and dietary bioaccumulation data in fish. Data have been selected based on a quality review to reduce uncertainty in the measured values. A kinetic mass balance model is used to estimate rates of chemical uptake and elimination. Biotransformation rate constants are essentially calculated as the difference between two quantities, a measured bio‐concentration factor or elimination rate constant, and a model‐derived bioconcentration factor or elimination rate constant estimated assuming no biotransformation. Model parameterization exploits key empirical data when they are available and assumes default values when study specific data are unavailable. Uncertainty analyses provide screening level assessments for confidence in the biotransformation rate constant estimates. The uncertainty analyses include the range for 95% of the predicted values and 95% confidence intervals for the calculated biotransformation values. Case studies are provided to illustrate the calculation and uncertainty methods. Biotransformation rate constants calculated by the proposed method are compared with other published estimates for 31 chemicals that range in octanol–water partition coefficients from approximately 101 to 108 and represent over four orders of magnitude in biotransformation potential. The comparison of previously published values with those calculated by the proposed method shows general agreement with 82% of the estimated values falling within a factor of three.

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Thông tin xuất bản

Environmental Toxicology and Chemistry

Tập 27 Số 2

341-351

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