β-环糊精及其衍生物对维生素分子的识别作用

以乙基紫(EV)为光谱探针,采用紫外-可见光谱法测定了两种维生素(V)与β-环糊精(β-CD)、羟丙基-β-环糊精(HP-β-CD)和磺丁醚-β-环糊精(SBE-β-CD)的包合特性.结果表明,多种弱相互作用力协同作用于环糊精的包合过程,主-客体间的尺寸匹配影响了包合物的稳定性.包合能力β-CDHP-β-CDSBE-β-CD.     

β-环糊精对氯诺昔康的包合作用

采用荧光光谱、差热扫描和核磁共振法研究了不同酸度和温度下β-环糊精（β-CD）、羟丙基β-环糊精（HP-β-CD）和磺丁醚β-环糊精（SBE-β-CD）对氯诺昔康（LX）的包合特性。 结果表明,3种环糊精与氯诺昔康均形成1∶1的包合物。 以包合常数作为包合稳定性的量度,包合稳定性为SBE-β-CD＞HP-β-CD＞β-CD。     

荧光光谱法研究维生素B_1与β-环糊精及其衍生物的包合作用

采用荧光光谱法研究了β-环糊精(β-CD)、甲基-β-环糊精(M-β-CD)、羟丙基-β-环糊精(HP-β-CD)、磺丁基-β-环糊精(SBE-β-CD)对维生素B_1的包合作用.在固定维生素B_1浓度和改变环糊精及其衍生物浓度的情况下,维生素B_1的荧光发射波长的变化以及荧光强度的增强表明了包合物的形成,用荧光双倒数法计算了环糊精及其衍生物与维生素B_1的包合常数.实验结果表明:在pH=7.4的体系中,β-环糊精对维生素B_1的包合能力最强,且四种环糊精与维生素B_1的包合物的包合比均为1∶1.     

β-环糊精及其衍生物对灯盏花乙素增溶作用的研究

采用相溶解度法研究了β-环糊精(β-CD),及其衍生物羟丙基-β-环糊精(HP-β-CD)、磺丁基醚-β-环糊精(SBE-β-CD)、单6-脱氧-氨基-β-环糊精(NH2-β-CD)和单6-脱氧-乙二胺-β-环糊精(en-β-CD)对灯盏花乙素的增溶作用,并测定了主-客体分子形成包合物的平衡常数。结果表明,当灯盏花乙素与上述5种环糊精形成可溶性包合物时,对应的相溶解度曲线均为AL型,说明其与环糊精的包合比均为1∶1;多种弱相互作用力协同作用于环糊精的包结配位过程,环糊精衍生物的取代基影响了主-客体配位能力。5种环糊精主体化合物对灯盏花乙素客体分子的增溶能力的大小为:en-β-CD>NH2-β-CD>HP-β-CD>SBE-β-CD>β-CD。     

香豆素-羟丙基-β-环糊精包合物的制备研究

为提高香豆素的水溶解度和热稳定性,用研磨法制备香豆素-羟丙基-β-环糊精包合物。将香豆素与羟丙基-β-环糊精以1∶1的摩尔比制成包合物,用紫外光谱、红外光谱和X射线粉末衍射进行鉴定;紫外吸收法测定包合物的包结常数为293M-1,并进行增溶性和热稳定性研究。结果表明香豆素与羟丙基-β-环糊精形成包合物,这个过程是自发进行的,包合产率为68.8%,形成包合物后,香豆素在水中的溶解度和热稳定性得到明显改善。     

虫草素与羟丙基-β-环糊精的包合行为及性能研究

通过饱和溶液方法制备了虫草素(COR)与羟丙基-β-环糊精(HPβCD)形成的包合物.采用紫外-可见光谱法对水溶液中HPβCD与虫草素(COR)的包合行为进行研究,利用Job曲线法确定COR/HPβCD包合物的包合比,通过1 H NMR和2D NMR、DSC、TG、XRD、FTIR和SEM对COR/HPβCD包合物进行表征和性能测定.结果表明,COR/HPβCD包合物的包合比为1:1,虫草素与HPβCD形成包合物后,其水溶性、热稳定性及生物环境稳定性都得到明显提高.COR/HPβCD包合物在医药领域具有潜在的应用前景.     

β-胡萝卜素与β-环糊精包合物的制备与表征

通过饱和水溶液法制备β-胡萝卜素/β-环糊精包合物,利用扫描电子显微镜观察包合物的结晶形态,并通过红外光谱(IR)、紫外光谱(UV)、差热分析(DTA)、X射线粉末衍射(XRD)、质谱分析(MS)等方法对包合物进行表征。结果表明,对β-胡萝卜素/β-环糊精包合物,XRD检测到一组新的特征衍射峰,2θ分别为10.66、12.43、19.40、20.88、22.67、27.06、31.42°;DTA反映出包合物与原料的吸/放热峰发生了明显变化;IR检测到包合物出现了不同于β-胡萝卜素的特征吸收峰;UV测定表明包合物与β-胡萝卜素有共同的紫外吸收峰;MS检测到包合物的部分碎片离子来自于β-胡萝卜素和β-环糊精。β-胡萝卜素与β-环糊精可形成稳定的包合物,有望改进β-胡萝卜素理化性质与应用。     

二丁基羟基甲苯包合物的制备、表征及应用研究

本文采用冷冻干燥法制备获得二丁基羟基甲苯(BHT)的羟丙基-β-环糊精包合物(HP-β-CD IC)、二甲基-β-环糊精包合物(DM-β-CD IC)和磺丁基-β-环糊精包合物(SBE-β-CD IC)。相溶解度法确定了二者形成化学计量比为1:1的包合模型;粉末X射线衍射、差示扫描量热、核磁共振氢谱及扫描电镜等技术给出其可能的结合模式,并通过AutoDock分子模拟对接理论研究佐证了实验结果的可靠性;实验结果证明,三种包合物稳定性顺序为SBE-β-CD/BHT ICDM-β-CD/BHT ICHP-β-CD/BHT IC,其中SBE-β-CD/BHT包合物增溶效果最显著。1,1-二苯基-2-苦肼基(DPPH)法考察BHT三种包合物抗氧化活性的结果是:三种包合物均表现出良好的清除效果,且与BHT相当。利用β-CD衍生物的包合技术改善BHT的水溶性,是一种拓展BHT应用领域的有效策略。     

荧光光谱法研究儿茶素与β-环糊精及其衍生物的包合作用

采用荧光光谱法研究了β-环糊精(β-CD)、羟丙基-β-环糊精(HP-β-CD)、甲基-β-环糊精(M-β-CD)、磺丁基-β-环糊精(SBE-β-CD)在室温下,及一定pH值的三酸缓冲溶液中对儿茶素的包合作用.在固定儿茶素浓度和改变β-CD及其衍生物浓度的情况下,儿茶素的荧光发射波长的变化以及荧光强度的增强表明了包合...     

Box-Behnken实验设计法优化厚朴酚包合物的制备工艺

以羟丙基-β-环糊精为包合材料,通过三因素三水平的Box-Behnken实验设计,建立相应的二项式数学模型优化厚朴酚-羟丙基-β-环糊精包合物的制备工艺条件.最优工艺条件为包合时间75min,包合温度60℃,羟丙基-β-环糊精与厚朴酚的投料比6∶1(质量比),包合率的预测值与理论值偏差较小.实验结果表明,Box-Behnken实验设计法用于厚朴酚-羟丙基-β-环糊精包合物制备工艺的优化是可行的.     

基于范数指数定量构效关系预测β-环糊精络合常数

环糊精在药剂学领域中是一类重要的包结化合物, 其中络合物稳定常数(logK)是一个关键评价参数. 本研究基于扩展距离矩阵提出了一组范数指数, 利用多种计算方法构建了系列定量构效关系模型, 并对233种化合物与β-环糊精的logK进行了计算预测. 计算结果表明基于扩展距离矩阵范数建立的系列定量构效关系模型均能较好预测logK; 其中利用最小二乘-支撑向量机方法建立的模型预测效果最好, 其预测结果的相关性系数R和留一、留十交叉验证相关性系数(Q_LOO,Q_LTO)分别为0.9587、0.8775和0.8732. 与文献方法对比结果表明, 本工作的预测结果在准确性和稳定性上有着显著的改善, 且能分辨同分异构体. 本课题组前期研究成果和本项工作表明基于范数指数构建的定量构效关系不仅适用于计算化合物的基础物理化学性质, 还能应用到化学反应过程相关常数的准确预测.     

β-环糊精功能化聚丙烯腈纳米纤维的制备及对亚甲基蓝的吸附性能β-环糊精功能化聚丙烯腈纳米纤维的制备及对亚甲基蓝的吸附性能

以N,N-二甲基甲酰胺(DMF)为溶剂, 利用静电纺丝法制备了聚丙烯腈(PAN)/β-环糊精(β-CD)纳米纤维. 通过场发射扫描电镜、红外光谱和粉末XRD对纳米纤维进行了表征, 并检测了纺丝溶液的电导率和黏度. 结果表明, β-CD的添加量可以改善纳米纤维的形貌, 固定在纤维上的β-CD保留了空腔结构, 为其在纳米纤维中发挥超分子特性提供了可能. 通过紫外-可见光谱法研究了PAN/β-CD纤维对亚甲基蓝(MB)溶液的吸附性能. 结果表明, 纳米纤维中的β-CD显著提高了PAN/β-CD纤维对MB的吸附能力, 使其在吸附分离、电化学传感器及药物控制释放等领域具有潜在的应用价值.     

阴离子表面活性剂和β-环糊精包结作用

环糊精由于其特殊结构可与众多物质(客体分子)形成包结物,这种包结物在化学理论研究、化工工业、农业及医药等领域有广阔的应用前景[1、2],因而受到人们极大的关注.人们用电导法、核磁技术、表面张力法等研究了环糊精与阴离子表面活性剂的相互作用,但这些方法得出的结果很...     

Study on the Supramolecular Inclusion Complex of β-Cyclodextrin with Retinoic Acid

The importance of Vitamin A for human health has been stressed in resent studies, meanwhile its derivative so-called retinoic acid (RA) has been widely used as pharmaceutical to treat several types of skin disease and cancer. However the application of retinioc acid is restrained for its poor water solubility, unstability and side affect on the human body. A large number of studies in pharmaceutical field showed that β-CD could inqjrove the water solubility of poorly soluble of drugs, reduce the toxicity and increase the dissolution rate, In the present work, the inclusion compound of retinoic acid with β-cyclodextrin was prepared by coprecipitating method, the structure of resulting product was studied by elemental analysis, differental scanning caloriemetry(DSC) analysis, FT-IR spectroscopy and X-ray diffractometry, and the formed supramolecule self-assembles in aqueous solution according to molar ratio 2:1 of host-guest.     

Study on the inclusion behavior and solid inclusion complex of 5-amino-6-methyl-2-benzimidazolone with cyclodextrins

The inclusion behaviors of three native or modified CDs including p-CD,2-hydroxypropyl-β-CD(2-Hp-β-CD) and 2,6-dimethyl-β-CD(Me-β-CD) toward 5-amino-6-methyl-2-benzimidazolone(AMBI) were comparatively investigated by NMR and fluorescence titration in combination with IR spectra,X-ray diffractometry and scanning electron microphotographs.The experimental results jointly demonstrated that the phenyl ring of AMBI entered into the cavity of the CDs and located close to the narrow rims accompanied by the formation of the 1:1 inclusion complex with large stability constant in aqueous solution.The introduction of the hydroxypropyl unit to the host improved the solubility,ultimately effecting an obvious promoting in the fluorescence intensity and the stability constant     

Host–Guest Interaction Study of Resveratrol With Natural and Modified Cyclodextrins

The aim of this work is to increase the stability and water solubility of resveratrol by complexation with different cyclodextrins. Furthermore, physical–chemical properties of each inclusion compound were investigated. Complexes of resveratrol with cyclodextrins both native (α, β, γ) and modified (2-hydroxypropyl-β-cyclodextrin, dimethyl-β-cyclodextrin) were obtained by using the suspension method. An inclusion complex with β-cyclodextrin was also prepared by using the microwave. Solid state characterization of the products was carried out using Fourier transform infrared spectroscopy (FT-IR), differential scanning calorimetry (DSC), X-ray diffraction (DRX); solution studies were performed by UV–Vis spectrophotometry and ¹H-NMR spectroscopy. Phase solubility profiles with all cyclodextrins employed were classified as A_N type, indicating the formation of 1:1 stoichiometric inclusion complexes. Stability constants (K _c) from the phase solubility diagrams were calculated. Stability studies in the solid state and in solution were performed; the photodegradation by UV–Vis spectrophotometry was monitored. The isomerization rate trans to cis, in ethanol solution, decreased with inclusion. The dissolution studies revealed that resveratrol dissolution rate was improved by the formation of inclusion complexes.     

α-氯丙酸乙酯对映体与β-环糊精的主客体相互作用

运用量子力学PM3方法模拟α-氯丙酸乙酯((R/S)-ECPA)与β-环糊(β-CD)的主客体相互作用, 探讨(R/S)-ECPA在β-CD上的手性识别机理. 结果表明, (R/S)-ECPA对映体与β-CD形成稳定结合物的结合方式完全不同, (R)-ECPA位于β-CD空腔宽口端, 形成缔合物; (S)-ECPA插入β-CD空腔内形成包结物. 而且, (S)-ECPA与β-CD的结合稳定能低于(R)-ECPA与β-CD的结合稳定能. 在(R/S)-ECPA与β-CD结合物中, (R/S)-ECPA中的手性碳接近葡萄糖单元的C2和C3. (R/S)-ECPA与β-CD之间的手性识别与葡萄糖单元的C2和C3所提供的手性环境和(R/S)-ECPA与β-CD结合的紧密程度密切相关.     

Cyclodextrin in Artificial Enzyme Model, Rotaxane, and Nano-material Fabrication

The methods of obtaining and physicochemical properties of inclusion complexes of amlodipine (AM) and felodipine (FL) with methyl-β-cyclodextrin (MCD) clathrates have been studied. Solid complexes were obtained by two methods: the kneading one and lyophilization with the drug and MCD at the molar ratio of 1:1. The identity of the obtained clathrates was confirmed by IR, ¹³C-NMR spectra and DSC measurements. The process of AM and FL complexation with MCD was shown to involve the aromatic ring, the carbonyl groups in the ester bonds and the carbon atoms of the DHP ring linked via the ester bonds. One of the aims of complexation was to improve the drug solubility, so the dissolution rate of the obtained clathrates was tested. As a result of the inclusion complexes formation of AM, obtained both by kneading and lyophilization, the solubility of this therapeutic drug increased 3 times. The inclusion complex formation with FL and MCD brought the most dramatic increase in FL solubility, which increased 16 times.     

β-环糊精共聚物及其金属配合物的制备与性能

合成了顺丁烯二酸酐酯化β-环糊精与苯乙烯的共聚物及其金属配合物。 利用红外、紫外、元素分析、差示扫描量热法及热失重分析法对其进行了结构表征和性能测试。 这种含有β-环糊精的共聚物金属配合物作为脲酶抑制剂,对大豆脲酶催化尿素水解的抑制效果显著,其铜金属配合物为4 g/L时,抑制率达96.67%。