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基于环糊精的主-客体键合及其组装行为是超分子化学领域的研究重点.本文利用核磁共振、圆二色光谱、分子模拟以及微量热滴定等方法探究了磺酸化?-环糊精(1)和吉西他滨(2)的键合模式、键合常数以及热力学参数.核磁等实验说明,吉西他滨客体分子中的嘧啶碱基环从大口端进入到环糊精的空腔.微量热滴定数据表明该键合过程是焓驱动过程,并且伴随着不利的熵损失,说明键合过程的驱动力主要来自于疏水、氢键以及范德华相互作用.进而通过丁达尔、光散射以及电镜实验,表明环糊精与药物分子形成的包合物1·2能够有效诱导十六烷基三甲基溴化铵(CTAB)聚集形成球形纳米超分子组装体.该三元超分子组装体在设计和制备新型药物传输载体方面具有潜在的应用价值.
Host-guest bonding and its assembly behavior based on cyclodextrins are the focus of research in the field of supramolecular chemistry.In this paper, the use of nuclear magnetic resonance, circular dichroism spectroscopy, molecular simulation and microthermal calorimetry to explore the sulfonated? -cyclodextrin (1) and gemcitabine (2), such as the bonding mode, the bonding constants and thermodynamic parameters.Experimental results of nuclear magnetic resonance show that the pyrimidine base ring in the guest molecule of gemcitabine enters the cyclodextrin cavity from the large mouth. Indicating that the bonding process is enthalpy driving process, accompanied by unfavorable entropy loss, indicating that the driving force of the bonding process mainly comes from the hydrophobic, hydrogen bonding and van der Waals interactions.Through the Tyndall, light scattering and electron microscopy experiments show that the ring The complex 1.2 formed by dextrin and drug molecules can effectively induce the aggregation of cetyltrimethylammonium bromide (CTAB) to form spherical nanometer supramolecular assembly. This ternary supramolecular assembly has been widely used in the design and preparation of novel Drug delivery vectors have potential applications.