Anderson N H, Davis S S, James M, Kojima I
J Pharm Sci. 1983 Apr;72(4):443-8. doi: 10.1002/jps.2600720430.
The distribution of p-substituted phenols between 0.15 M NaCl and a range of organic solvents (including 1-octanol) was examined over a range of temperatures. The thermodynamic parameters of transfer, delta G, delta H, and delta S, were determined and the values examined in the light of Hildebrand and Scott's solubility parameter theory, and the collision complexes between solute and organic solvent. Delta H of transfer was positive for nonpolar solvents and negative for 1-octanol; the transfer processes were entropy and enthalpy dominated, respectively. The distribution of the phenols into phospholipid vesicles was examined below the phase-transition temperature. Although delta G of transfer for vesicle-water systems was similar to that for octanol-water systems, the full thermodynamic analysis indicated that the two systems were dissimilar. The use of vesicle distribution data in structure-activity studies is discussed.
研究了一系列温度下对取代酚在0.15 M氯化钠和一系列有机溶剂（包括1-辛醇）之间的分配情况。测定了转移的热力学参数ΔG、ΔH和ΔS，并根据希尔德布兰德和斯科特的溶解度参数理论以及溶质与有机溶剂之间的碰撞络合物对这些值进行了研究。对于非极性溶剂，转移的ΔH为正值，而对于1-辛醇则为负值；转移过程分别以熵和焓为主导。在低于相变温度的情况下研究了酚类物质进入磷脂囊泡的分配情况。尽管囊泡-水体系的转移ΔG与辛醇-水体系的相似，但完整的热力学分析表明这两个体系并不相同。讨论了在构效关系研究中使用囊泡分配数据的情况。
