β-环糊精与罗丹明B及番红花红T包合作用的研究

合成了以β-环糊精为主体,罗丹明B及番红花红T为客体的包合物.用红外光谱、荧光光谱、共振瑞利散射光谱和差示扫描量热谱研究了β-环糊精与染料的包合机理.实验结果表明:β-环糊精与客体分子分别形成了1:1的包合物,客体分子进入β-环糊精分子的疏水性空腔内,当β-环糊精加入到一定浓度的客体溶液中时,罗丹明B体系的荧光强度和共振瑞利散射强度减弱,而番红花红T体系的荧光强度和共振瑞利散射强度增强.还通过荧光光谱法及共振瑞利散射光谱法分别测定了15、25和35 ℃ 3个不同温度时染料与β-环糊精包合体系的稳定常数.结果表明:包合物的形成主要取决于β-环糊精与客体分子的分子结构及两者作用力的大小,β-环糊精空腔大小与客体分子或其某些基团的大小越接近,越容易包合,包合物的稳定常数就越大.包合物的表观热力学常数显示,在上述包合体系反应的推动力是疏水作用力.     

1-萘酚-β-环糊精包合物结构的理论研究

环糊精及其衍生物因具有“内疏水,外亲水”结构,能选择性识剐小分子而备受关注。文章以2-萘酚-β-环糊精包合物为研究对象,采用PM3半经验方法探讨了1-萘酚分子在环糊精空腔中的位置以及旋转角度对包合体系能量的影喃,通过计算包合体系能量的变化趋势,优化了体系能量最低点时的包合物结构。结果表明,包合体系的能量随客体分子在环糊精空腔中旋转角度的变化而改变,环糊精空腔的非对称性对包合体系的能量有影响,在设计环糊精包合体系的计算模型时应考虑空腔的不对称性因素。     

β-环糊精与苄基甲基酮超分子包合物

研究了β-环糊精与苄基甲基酮主、客体分子的包合反应.通过红外、热重-差热、X-射线衍射、核磁共振及元素分析方法确定了包合物的形成与组成.包合物明显改变了主、客体的晶相、光谱及热学性质.核磁共振及元素分析结果表明：β-环糊精与苄基甲基酮形成了包合比（主、客体的物质的量之比）为2：1的包合物,苄基甲基酮的苄基及甲基分别嵌入了两个β-环糊精的空腔.     

甲氨基阿维菌素微胶囊的制备与研究

环糊精由七个吡喃葡萄糖单位通过α-1,4糖苷键连接所构成的环状分子,其可分为α-环糊精,γ环糊精和β-环糊精。环糊精的分子构型较为特殊,其内腔疏水,而外腔亲水,具有“内疏水,外亲水”的特殊分子结构,根据空腔大小,利用疏水作用力、氢键和范德华力等进行分子识别,环糊精能作为“宿主”包络不同“客体”化合物,形成结构特殊的包络物,因此具有较强的吸附能力,是-种性能优良的吸附材料。     

β-环糊精包合物的研究进展

β-环糊精(β-CD)是一类环状低聚糖,价格低廉且易得,因有独特的空腔结构而常被当作宿主分子,与其他物质形成包合物。β-环糊精包合物常被作为一种药物制剂的中间体,可大量用于增加药物溶解度、提高稳定性、液体药物固体化、降低刺激性等。β-环糊精包合物也在食品和化妆品领域应用广泛。综述了β-环糊精包合物包合条件、影响因数及应用,并在β-环糊精包合物应用前景进行了展望。     

β-环糊精对叶酸的包合作用研究

研究β-环糊精对叶酸的包合作用,提高叶酸的热稳定性及水溶性。采用MOPAC分子模拟和紫外光谱法探讨在水相中β-环糊精对叶酸包合的可行性,在此基础上,用共沉淀法制备包合物,并采用TG-DTA、FT-IR对包合物进行表征和确认。采用紫外分光光度法测定β-环糊精与叶酸的包合比和包合物稳定常数,利用经典恒温加速试验法测定游离叶酸、包合物中叶酸的热稳定性。结果表明,在水相中,叶酸可进入β-环糊精空腔自发形成摩尔比为1:2(叶酸:β-环糊精)的包合物,与MOPAC分子模拟结果叶酸分子两端的喋啶和谷氨酸基团可分别进入β-环糊精空腔一致,333 K时包合物的稳定常数K为4.615×105。在室温下,包合物中叶酸有效期是游离叶酸有效期的3.6倍。叶酸形成包合物后,其热稳定性得到明显改善。     

环糊精和环糊精包合物

环糊精是由6个或6个以上D－吡喃葡萄糖单元通过α－1，4成键形成的环状低聚糖，其分子具有较大的非极性柱状内腔供尺寸足够小的各种客体嵌入，形成包合物。介绍了环糊精对各种有机，无机和金属有机客体的包合，讨论了主客体双方的尺寸和性质对包合物的结构的影响，着重比较了环糊精和不同客体间的相互作用及形成包合物的稳定性。     

氯菊酯-β-环糊精包合物的制备及表征

为了开发具有药物缓释性能的新型防蚊试剂,用饱和水溶液法制备了氯菊酯与β-环糊精的超分子包合物(包合比为1∶1),并通过物相分析、红外光谱、紫外光谱及荧光光谱等分析方法对其进行了表征。结果表明,包合物与反应前物质及物理混合物相比,呈现出了新的物相性质,均匀的水包油结构及在多种溶剂中的溶解度明显降低证明了包合物的形成;氯菊酯-β-环糊精包合物是一种靠疏水作用和分子间力结合的超分子结构,包合过程没有新的化学键产生;包合对氯菊酯的结构没有产生影响,但其紫外吸收与荧光强度明显增强。     

环糊精在农药中的研究及奠应用

环糊精具有特殊的疏水空腔结构,能与多种客体分子形成包合物。农药制成环糊精包合物后,其溶解性、刺激性、化学稳定性、释药速度及其生物利用度等方面有明显的改善。因此,环糊精在农药制剂方面有着重要的应用价值。综述了环糊精一农药包合作用机理、包合物的形成条件及稳定因素,具体介绍了环糊精及其衍生物对农药的稳定效应、增溶性能、光降解催化作用,以及它们在手性农药分离和农药残留检测上的应用,并对其发展趋势和前景做了展望。     

β-环糊精超分子络合物的合成与表征

主要研究了β-环糊精分别与蒽酮、丙烯酸丁酯和三乙胺在水相中通过范德华力发生包合反应形成了主客体超分子络合物,并用核磁共振氢谱对络合物进行了表征。同时通过分子模拟计算,证实了发生包合反应的可行性。通过核磁共振分析给出了客体分子在环糊精空腔的可能构像。     

分子模拟技术在环糊精包结过程中的应用

环糊精具有疏水的空腔,可以选择性结合各种客体分子,形成稳定的包结物,在实验和理论研究中受到广泛的关注。本文总结了近年来分子模拟技术在环糊精包结过程中的应用,重点介绍半经验PM3方法、双层ONIOM方法及自然键轨道（NBO）分析方法。最后展望了分子模拟技术在环糊精领域的发展方向。     

Thermodynamics of the encapsulation by cyclodextrins

Molecular encapsulation on a molecular basis can be performed by cyclodextrins. The inclusion of organic molecules into the interior changes the properties of these molecules, which may be used for a broad variety of applications. The affinity of guest molecules for the cavities of various cyclodextrins depends on the stereochemistry and on the interaction forces of the molecules involved. Calculations of the thermodynamic parameters show that the reaction entropy is highly important for the inclusion reaction. Completely different reaction mechanisms are observed for various types of cyclodextrins as some of these reactions show enthalpy–entropy compensation. Others are supported by the reaction entropy or are even entropically controlled. Protonation and deprotonation reactions contribute significantly to the inclusion reaction, as first of all the solubility of the compounds in water is strongly influenced by the acidity of the solution, and, moreover, all tautomeric forms of the compounds show different affinities to various cyclodextrins. Copyright © 2006 Society of Chemical Industry     

环糊精及其包合物的研究与应用

介绍了环糊精及其包合物的合成、结构、包合物形成的热力学与动力学等的研究概况，着重叙述了环糊精的包合作用与环糊精的修饰，描绘了环糊精化学的应用与发展前景。     

Linear‐dendritic ABA triblock copolymers as nanocarriers

Linear‐dendritic ABA triblock copolymers containing PEG were used for transport the small guest molecules such as 5,7‐dibromo‐8‐hydoxy quinoline, ibuprofen, and Congo red. Nanocarriers containing guest molecules were soluble in water and in some of the organic solvents. Encapsulated guest molecules were soluble in some of the solvents, which they cannot be solved in them solely, for example, chloroform is a very poor solvent for Congo red, but encapsulated Congo red by nanocarriers is soluble in chloroform. The linear‐dendritic copolymers/guest molecule complexes were stable at room temperature for about 10 months; during this time, guest molecules did not release from linear‐dendritic copolymers/guest molecule complexes. The controlled release of guest molecules from linear‐dendritic copolymers/guest molecule complexes in vitro conditions also was investigated. © 2007 Wiley Periodicals, Inc. J Appl Polym Sci 104: 267–272, 2007     

Review of molecular imprinting polymer: basic characteristics and removal of phenolic contaminants based on the functionalized cyclodextrin monomer

Cyclodextrins (CDs) are formed of starch molecules that are linked together in a cyclic ring. They are composed of five or more (1, 4) connected D-glucopyranoside units. CDs have toroidal, hollow truncated cone structures with exterior hydrophilic edges and internal hydrophobic cavities. The numerous hydroxyl groups available in cyclodextrins are active sites capable of forming various sorts of connections. They can be cross-linked or derived to generate monomers able to form branching or linear networks. Furthermore, they can form inclusion complexes with a variety of guest molecules, including organic and inorganic molecules, thus changing their physicochemical properties, The modification of the imprinting method could produce molecularly imprinted polymers that are stable, dependable, long-lasting, selective, and cost-effective. As a result, molecularly imprinted polymers are becoming increasingly popular in chemical separation and analysis. As found in previous studies, the monomers of cyclodextrins used in molecular imprinting have a higher binding impact on target molecules. The purpose of this study is to highlight the application of imprinting technology utilizing cyclodextrins as a valuable functional monomer in the remediation of phenolic compounds by examining and assessing relevant works published in the literature. © 2022 Society of Chemical Industry (SCI).     

“On-Off” Switching of Functional Guest Molecules via Exchange of Natural Product Solubilizing Agents

For the development of delivery systems, the solubilization of hydrophobic guest molecules in water is an important yet challenging task. This can be achieved by preparing stable aqueous solutions with a high concentration of guest molecules using a natural product as a solubilizing agent and a mechanochemical high-speed vibration milling apparatus as a solubilizing method. Various solubilizing agent-guest molecule complexes can be obtained via the exchange between solubilizing agents, which enables the “on-off” switching of the properties of functional guest molecules, such as fluorescence intensity, and photodynamic activity. In the exchange method, guest molecules can transfer into cell membranes such as lysosomes and exosomes. Therefore, the exchange method of the solubilizing agents not only creates novel solubilizing agent-guest molecule complexes but also is applied to drug delivery systems.     

环糊精介入与TiO_2光催化应用研究进展

环糊精特有的结构可以对疏水客体分子进行主-客体包合,它介入到TiO2光催化过程中,可以增加TiO2光催化材料对疏水客体的吸附,加快被包合客体底物分子的传质效率,增大化学反应动力学常数,提高TiO2的光催化降解活性。其对有机疏水底物分子的选择性识别包合作用,有望解决TiO2对高毒性不可生物降解污染物催化选择性低及催化活性不高的难题。根据近年来公开发表的国内外相关文献,对环糊精介入的TiO2光催化应用研究进行简要评述。     

Poly(ε-caprolactone) electrospun nanofibers containing curcumin nanocontainers: enhanced solubility,dissolution and physical stability of curcumin via formation of inclusion complex with cyclodextrins

Supramolecular nanocontainers of cyclodextrins (α- and β-CD)/curcumin (CUR) were prepared by inclusion complex (IC) forming between CDs and guest molecule at two conditions. Formation of the inclusion complex between CDs and CUR at various conditions in solid phase was characterized by various methods. Solubility and in vitro dissolution of obtaining CUR nanocapsules were investigated and results showed that encapsulation of CUR, improved CUR bioavailability with a controllable release. Electrospun nanofibers of poly-ε-caprolactone (PCL) containing CUR/CDs inclusion complex of various conditions have been fabricated using a conventional electrospinning process and indicated that these nanofibers are bead-free.     

环糊精包合作用组装大分子网络

利用环糊精的包合作用可以组装构筑大分子网络体系.这种独特的组装方法交联模式简单、交联度易于调控,得到的网络体系既能为聚合物的缔合理论提供理想的实验模型,又能广泛用于黏度调节和药物控释.环糊精的独特结构及对多种客体分子的包合作用使其近年来成为分子组装研究的热点.本文综述了以环糊精包合作用构筑大分子网络的研究进展,分别介绍了链状大分子组装交联和环糊精分子管道结晶缔合这两种方法.