盐酸黄连素与β-环糊精在水溶液中的理化性质研究（英文）

Study of the physicochemical properties of berberine hydrochloride with β-cyclodextrin in aqueous solution

对β-环糊精(β-CD)和盐酸黄连素(Berb)之间的包合作用进行了研究。在水相介质中,用紫外光谱和相溶解度法测定了二者之间的表观稳定常数K。用差示扫描量热法(DSC)、傅立叶变换红外光谱(FT-IR)和X射线衍射(XRD)研究了包合物的物理化学性质。相溶解度曲线表明,Berb的溶解度随β-CD浓度的增加而增加,为AL型曲线,表明二者之间形成1∶1的化学计量比的包合物。利用相溶解度曲线,计算了在293K和310K时包合过程的热力学参数。标准的吉布斯自由能变化值在298K、310 K时分别为-10.3 k J mol-1、-10.6k J mol-1,表明包合过程是自发进行的。利用分子模型程序,探讨了β-CD和Berb间的包合机理,并结合FT-IR分析结果,推测Berb的二甲氧基基团通过β-CD尾区进入CD的空穴中。该研究为β-CD和Berb包合物的工业化生产提供了实验依据。

he inclusion interactions ofβ-cyclodextrin(β-CD)and berberine hydrochloride(Berb)were investigated in the present study.In aqueous solution,apparent stability constant was determined by UV spectroscopy and phase-solubility technique.The physicochemical characterization of inclusion complex was investigated by differential scanning calorimetry(DSC),Fourier transform-infrared(FT-IR)and X-ray diffraction(XRD).Phase-solubility profile indicated that the solubility of Berb was significantly increased in the presence ofβ-CD and classified as A L-type that indicated the 1∶1 stoichiometric inclusion complex.Thermodynamic parameters of the complex process were determined from the phase solubility diagram.The standard Gibbs energy changes were-10.3 kJ mol^-1 at 298K and-10.6 kJ mol^-1 at 310 K,respectively,which indicated that the complex process was spontaneous.Mechanism of the complex ofβ-CD with Berb was further discussed by the molecular model program,and combined with the results of FT-IR analysis,which showed that the dimethoxy groups of Berb were introduced through the tail region of the cavity ofβ-CD.This study could provide experimental data for industrial production ofβ-CD and Berb complex.