The stability constants of inclusion complexes of some benzene derivations with β cyclodextrin (β CD) in aqueous solution were studied by ultraviolet spectrophotometry at 20℃,30℃,40℃ and 50℃,respectively.The app...The stability constants of inclusion complexes of some benzene derivations with β cyclodextrin (β CD) in aqueous solution were studied by ultraviolet spectrophotometry at 20℃,30℃,40℃ and 50℃,respectively.The apparent thermodynamic parameters were also obtained.The results demonstrated that van der Waals force (Δ H <0,Δ S <0,governed by Δ H ) is the major driving force of inclusion systems of benzene derivations with β CD.On the other hand,in the case of inclusion complex of vanillin,the hydrogen bonding may also play a role in complexation.展开更多
本实验室新近提出按氢分类分子电性距离矢量(H-MEDV),用于对110个烷基苯气相色谱保留指数和54个二取代苯液相色谱容量因子进行结构表征,运用多元线性回归(multiple linear regression,MLR)以建立定量结构色谱保留关系(QSRR)模型,同时利...本实验室新近提出按氢分类分子电性距离矢量(H-MEDV),用于对110个烷基苯气相色谱保留指数和54个二取代苯液相色谱容量因子进行结构表征,运用多元线性回归(multiple linear regression,MLR)以建立定量结构色谱保留关系(QSRR)模型,同时利用逐步回归结合统计检测对模型变量作筛选,建模计算值复相关系数(R_(cum))、留一法(leave-one-out,LOO)交互校验(cross-validation,CV)复相关系数(Q_(LOO)),对上述样本分别为0．9950、0．9937和0．9648、0．9530。研究结果表明,H-MEDV能较好表征该类分子结构信息,值得进一步推广。展开更多
文摘The stability constants of inclusion complexes of some benzene derivations with β cyclodextrin (β CD) in aqueous solution were studied by ultraviolet spectrophotometry at 20℃,30℃,40℃ and 50℃,respectively.The apparent thermodynamic parameters were also obtained.The results demonstrated that van der Waals force (Δ H <0,Δ S <0,governed by Δ H ) is the major driving force of inclusion systems of benzene derivations with β CD.On the other hand,in the case of inclusion complex of vanillin,the hydrogen bonding may also play a role in complexation.
文摘本实验室新近提出按氢分类分子电性距离矢量(H-MEDV),用于对110个烷基苯气相色谱保留指数和54个二取代苯液相色谱容量因子进行结构表征,运用多元线性回归(multiple linear regression,MLR)以建立定量结构色谱保留关系(QSRR)模型,同时利用逐步回归结合统计检测对模型变量作筛选,建模计算值复相关系数(R_(cum))、留一法(leave-one-out,LOO)交互校验(cross-validation,CV)复相关系数(Q_(LOO)),对上述样本分别为0．9950、0．9937和0．9648、0．9530。研究结果表明,H-MEDV能较好表征该类分子结构信息,值得进一步推广。
