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首页> 外文期刊>Environmental toxicology and chemistry >ESTIMATING METABOLIC BIOTRANSFORMATION RATES IN FISH FROM LABORATORY DATA
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ESTIMATING METABOLIC BIOTRANSFORMATION RATES IN FISH FROM LABORATORY DATA

机译：从实验室数据估算鱼类的代谢生物转化率

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摘要

A 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 bioconcentration 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 10~1 to 10~8 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.
机译：提出了一种方法，该方法可根据所测得的实验室生物浓度和鱼类饮食生物蓄积数据估算非离子有机化学物质的代谢生物转化速率常数。已根据质量审查选择了数据，以减少测量值的不确定性。动态质量平衡模型用于估算化学物质吸收和消除的速率。生物转化率常数本质上是作为两个量之间的差计算得出的，一个是实测的生物浓度因子或消除速率常数，另一个是假设没有生物转化时估算的模型得出的生物浓度因子或消除速率常数。模型参数化在关键经验数据可用时会进行利用，而在研究特定数据不可用时会采用默认值。不确定性分析为生物转化率常数估算值的置信度提供了筛选水平评估。不确定性分析包括95％的预测值范围和95％的计算生物转化值置信区间。提供了案例研究来说明计算和不确定性方法。通过提议的方法计算出的生物转化速率常数与其他已发表的估计值进行了比较，对31种化学物质的辛醇-水分配系数范围从大约10〜1到10〜8，代表了超过4个数量级的生物转化潜力。将先前发布的值与通过所提出的方法计算出的值进行比较，结果表明，在82％的估计值中，三分之二的结果基本一致。

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  • 来源
    《Environmental toxicology and chemistry》 |2008年第2期|341-351|共11页
  • 作者

    Jon A. Arnot; Don Mackay; Mark Bonnell;

  • 作者单位

    The Canadian Environmental Modelling Centre, Trent University, 1600 West Bank Drive, Peterborough, Ontario K9H 7B8;

    The Canadian Environmental Modelling Centre, Trent University, 1600 West Bank Drive, Peterborough, Ontario K9H 7B8;

    Science and Technology Division, Environment Canada, 351 St-Joseph Boulevard, Gatineau, Quebec K1A 0H3;

  • 收录信息 美国《科学引文索引》(SCI);美国《工程索引》(EI);美国《生物学医学文摘》(MEDLINE);美国《化学文摘》(CA);
  • 原文格式 PDF
  • 正文语种 eng
  • 中图分类
  • 关键词

    fish; bioaccumulation; bioconcentration; biotransformation; xenobiotic metabolism;

    机译：鱼;生物蓄积生物浓缩生物转化异生代谢;

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