辣椒碱与β-环糊精包合物的核磁共振研究  

An NMR Study of Capsaicin/β-cyclodextrin Complex

作　　者：赵兵[1,2] 李艺蕾 李明[1] 刘宏民[1,2] 

机构地区：[1]郑州大学药学院,河南郑州450001 [2]新药研发中心,河南郑州450001

出　　处：《波谱学杂志》2013年第4期576-584,共9页Chinese Journal of Magnetic Resonance

基　　金：国家自然科学基金资助项目(81172937)

摘　　要：利用核磁共振方法研究了辣椒碱-β-环糊精包合物的化学计量比、空间结构信息及其在水溶液中的自扩散系数.通过测定不同浓度比的辣椒碱和β-环糊精混合溶液的1H NMR数据,绘制Job＇s曲线,辣椒碱和β-环糊精的Job＇s曲线均在r=0.5处出现拐点.同时测定了该包合物的2D ROESY和DOSY谱图,ROESY谱图中NOE交叉信号出现在辣椒碱的H-1～H-8和β-环糊精的H-3′、H-5′、H-6′之间,DOSY测得β-环糊精和辣椒碱形成包合物前后的表观自扩散系数.结果表明,辣椒碱-β-环糊精包合物的主客体分子的化学计量比为1∶1,辣椒碱分子的异丙基端从β-环糊精的宽口端进入疏水腔,其中H-1～H-8部分在空腔内部,包合物的自扩散系数为2.95×10-10 m2/s.NMR spectroscopy was used to investigate the stoichiometry,three-dimensional geometry and formation constant of capsaicin and β-cyclodextrin complex.Capsaicin/β-cyclodextrin solutions with different concentration ratio were measured.Inflection point on Job＇s curve measured by 1 H NMR appeared at r=0.5.Two-dimensional ROESY and DOSY spectra of the complexes were obtained.Cross peaks in the ROESY spectra appeared between capsaicin H-1 to H-8 andβ-cyclodextrin H-3′,H-5′,H-6′.Apparent diffusion coefficients of protons in cyclodextrin and capsaicin were measured with DOSY.The results showed that the stoichiometry of the capsaicin complex was 1 ∶ 1 and the isopropyl side of capsaicin entered into the hydrophobic cavity of β-cyclodextrin from the wider rim while H-1 to H-8 of capsaicin were included into the hydrophobic cavity completely.The diffusion coefficient of complex was 2.95 × 10-10 m2/s.

关 键 词：核磁共振(NMR) 辣椒碱 β-环糊精 包合作用 ROESY DOSY 

分 类 号：O482.53[理学—固体物理]