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Effect of ionic composition on the partitioning of organic compounds in octanol-buffer systems

机译：离子组成对辛醇缓冲体系中有机化合物分配的影响

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The distribution of 29 drug compounds was examined in octanol-buffer systems with eight different ionic compositions at pH 7.4. It was found that the ionic composition of the octanol-buffer system has a noticeable and unpredictable effect on the log D-7.4 values for different compounds. It was established that the response of the compounds to different ionic environments, displayed as log D-7.4 values, are linearly interrelated, which is similar to the different properties of compounds in organic solvent-free aqueous solutions reported previously [Ferreira et al., Phys. Chem. Chem. Phys. 2014, 16, 23347]. An analysis of the role of the different structural features of compounds examined in their ionic responsiveness showed that the molecular polarizability and polar surface area are the two most important features. This suggests that the relationships reported here and previously are based on the same physical principles that must be considered in any theoretical model of solute-water interactions in aqueous solutions containing salt additives.
机译：在辛醇缓冲体系中检测29种药物化合物的分布，在pH7.4下具有八种不同的离子组合物。发现辛醇缓冲体系的离子组成对不同化合物的Log D-7.4值具有明显和不可预测的影响。建立了化合物对不同离子环境的响应，显示为LOG D-7.4值，是线性相互关联的，其类似于先前报道的有机溶剂水溶液中化合物的不同性质[Ferreira等，物理。化学。化学。物理。 2014,16,23347]。在离子反应性中检查化合物的不同结构特征的作用分析表明，分子极化性和极性表面积是最重要的两个特征。这表明这里报道的关系以及以前的关系是基于相同的物理原理，必须在含盐添加剂的水溶液中的溶质 - 水相互作用的任何理论模型中考虑。

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