摘要
目的饱和溶液法制备胡椒碱β-环糊精包合物,荧光光谱结合紫外光谱表征胡椒碱β-环糊精包合物并研究其包合反应机制。方法紫外光谱考察包合物的溶解性及包合平衡性能,利用Gaussian量子化学法计算包合物稳定构型及热力学参数,光谱实验结合理论计算分析胡椒碱β-环糊精包合物超分子体系相互作用性能。结果光谱法较好表征了胡椒碱β-环糊精包合物,β-环糊精包合胡椒碱后能显著提高胡椒碱的稳定性及溶解性能,量化计算成功获得了胡椒碱β-环糊精包合物体系的稳定分子构型及包合体系总能量的变化效应,量化计算的热力学参数表明包合过程为自发结合反应,理论计算结果与光谱实验结果一致。结论经β-环糊精包合后的胡椒碱稳定性及溶解性均有显著提高,相关结果可为包合物超分子体系的相互作用机制研究提供一定参考。
OBJECTIVE To prepare a novel inclusion complex of the piperine with β-cyclodextrin （β-CD） by the saturated solu- tion method and characterize the inclusion mechanism by fluorescence spectroscopy and ultraviolet spectrometry. METHODS The dissolution properties and the balance properties of the inclusion complex were analyzed by ultraviolet spectrum and the Gaussian method was used to calculate the inclusion complex＇s configuration and thermodynamic parameters. The interaction performance of β-cyclodextrin-pip- erine supermolecular system was explored by spectroscopic experiment combined with theoretical calculation. RESULTS The results showed that the spectral method better characterize the piperine-^-cyclodextrin. The stability and solubility of piperine was significantly improved after it was included with β-cyclodextrin. Gaussian calculation successfully obtains the preferred molecular configuration and the total energy change effect of inclusion system, the thermodynamic parameters of the piperine-β-cyclodextrin were also be obtained and showed that the inclusion process of the inclusion complex is a spontaneous binding reaction, which was further confirmed by spectral ex- periments. CONCLUSION The stability and solubility of piperine can be significantly improved after β-cyclodextrin including, the re- sults can provide certain reference for the study of inclusion complex supermolecular system.
出处
《中国药学杂志》
CAS
CSCD
北大核心
2013年第21期1841-1846,共6页
Chinese Pharmaceutical Journal
基金
国家自然科学基金资助项目(20877072)
浙江省科技创新项目(2112009007)
关键词
胡椒碱
Β-环糊精
包合物
量化计算
piperine
β-cyclodextrin
inclusion complex
Gaussian calculation
