Yolk-Water Partitioning of Neutral Organic Compounds in the Model Organism Danio rerio.,Environmental Toxicology and Chemistry

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Yolk-Water Partitioning of Neutral Organic Compounds in the Model Organism Danio rerio.
Environmental Toxicology and Chemistry ( IF 3.6 ) Pub Date : 2020-05-07 , DOI: 10.1002/etc.4744
Nadin Ulrich ₁ , Nicole Schweiger ₂ , Andrea Pfennigsdorff ₁ , Stefan Scholz ₂ , Kai-Uwe Goss _{1,

3}

Affiliation

Yolk is the most important temporary biological compartment of the early life stages of fish embryos. The sorption strength of a chemical to yolk components may significantly influence the distribution of that chemical in the fish embryo. We determined yolk–water partition coefficients (K _yolk/water, in liters of water per kilogram of yolk, normalized to dry wt) for 70 neutral organic chemicals. The log K _yolk/water values range from 0.76 to 6.56. On the basis of these values, we developed polyparameter linear free energy relationship models to predict yolk–water partitioning for a broad range of neutral organic chemicals with a root mean squared error of 0.37 and r ² of 0.919. These models can be applied for the prediction of internal concentrations at equilibrium (neglecting biotransformation and active transport) in the zebrafish embryo test system. Environ Toxicol Chem 2020;39:1506–1516. © 2020 The Authors. Environmental Toxicology and Chemistry published by Wiley Periodicals LLC on behalf of SETAC.

中文翻译：

模型有机体Danio rerio中性有机化合物的卵黄水分配。

卵黄是鱼胚生命早期最重要的临时生物区室。化学物质对蛋黄成分的吸附强度可能会显着影响该化学物质在鱼胚中的分布。我们确定了70种中性有机化学物质的卵黄-水分配系数（K_卵黄/水，以每千克卵黄升的水量，标准化为干重）。_卵黄/水的log K值范围为0.76至6.56。在这些值的基础上，我们开发了多参数线性自由能关系模型来预测卵黄水分配对各种中性有机化学物质的均方根误差为0.37和r ²为0.919。这些模型可用于预测斑马鱼胚胎测试系统中处于平衡状态（忽略生物转化和主动转运）的内部浓度。2020年《环境毒理学》； 39：1506-15-1616。©2020作者。Wiley Periodicals LLC代表SETAC发布的《环境毒理学和化学》。

更新日期：2020-05-07

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