Novel Approach for Characterizing pH-Dependent Uptake of Ionizable Chemicals in Aquatic Organisms
Novel Approach for Characterizing pH-Dependent Uptake of Ionizable Chemicals in Aquatic Organisms
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DOI：
10.1021/acs.est.7b01265
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发表时间：
2017-06-20
影响因子：
11.4
通讯作者：
Boxall, Alistair B. A.
中科院分区：
文献类型：
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作者：
Karlsson, Maja V.;Carter, Laura J.;Boxall, Alistair B. A.
在这里，我们提出并评估了一种结合实验和建模的方法，用于表征在不同pH条件下水生生物从水和沉积物中吸收可电离化学物质。我们举例说明和评估两种药物（双氯芬酸和氟西汀）和一种个人护理产品成分（三氯生）的方法”为少毛虫的斑纹。首先，使用毒性动力学模型拟合在两种pH值下三种化学物质摄取的实验数据，以得出每种分子的中性和电离物种的摄取和净化常数。然后用所得的常数来预测其他pH条件下水和沉积物的吸收率。根据相应的实验数据对预测进行的评估表明，对不同pH条件下的水中所有测试化学品的吸收作出了良好的预测，并对沉积物中氟西汀和双氯芬酸的吸收作出了合理的预测。预测表明，在欧洲河流的不同pH值范围内，所研究的化学物质的吸收水平可能相差高达3035倍。总的来说，该方法对于评估不同ph值景观中水生生物的内部暴露非常有用。这有助于更好地表征水生环境中“可电离化学物质”的风险。
Here, we present and evaluate a combined experimental and modeling approach for characterizing the uptake of ionizable chemicals from water and sediments into aquatic organisms under different pH conditions. We illustrate and evaluate the approach for two pharmaceuticals (diclofenac and fluoxetine) and one personal care product ingredient (triclosan) "for the oligochaete Lumbriculus variegatus. Initially, experimental data on the uptake of the three chemicals at two pH values were fitted using a toxicokinetic model to derive uptake and depuration constants for the neutral and ionized species of each molecule. The derived constants were then used to predict uptake from water and sediment for other pH conditions. Evaluation of predictions against corresponding experimental data showed good predictions of uptake for all test chemicals from water for different pH conditions and reasonable predictions of uptake of fluoxetine and diclofenac from a sediment. Predictions demonstrated that the level of uptake of the study chemicals, across pH ranges in European streams, could differ by up to a factor of 3035. Overall, the approach could be extremely useful for assessing internal exposure of aquatic organisms across landscapes with differing pH. This could help support better characterization of the risks of "ionizable chemicals in the aquatic environment.