【摘要】 选取多种植物源药物作为模型药物,基于不同药物的分子结构,通过基团贡献法计算其溶度参数δ_t;同时,利用高效液相色谱(HPLC)测定模型药物的相对保留时间tRR,将δt与tRR进行关联,建立了经验模型tRR=-0. 032+7. 27144e-δt/3. 53874(相关系数R=0. 97).根据植物提取液中不同成分的分子结构计算其溶度参数,基于该经验模型可推算其相对保留时间,进而快速判断目标药物在疏水色谱分离过程中适宜的淋洗时间,确定接收淋洗流动相的时间段.更多还原

【Abstract】 Botanical medicine plays a significant role in research and production of new drugs,and attracts special attention due to its unique merits,such as rich source,less side effect. There exists certain difficulties to get target products from plant mixture in isolation and purification process. Reverse phase chromatography based on the difference in the polarity and hydrophobicity of drugs is one of the most important methods for purify active ingredients in plants. It is technical significant to establish a simple method to determine the hydrophobicity(retention time) of a target drug compound so as to design the stationary phase materials in chromatographic separation and collect mobile phase solution at an appropriate eluting period. In this study,a variety of botanical medicines were selected as model compounds,their solubility parameters δtwere calculated by the group contribution method based on the molecular structure of the model compounds and relative retention times tRRwere determined by HPLC. The mathematical model correlating the solubility parameter and the relative retention time is established,tRR=-0. 032 + 7. 27144 e-δt/3. 53874(R = 0. 97). By the method we established,the relative retention time of a drug compound can be obtained by calculating the solubility parameter,which can be used to predict the hydrophobicity and determine the appropriate elution time of such drug compound from hydrophobic membrane chromatography.更多还原