药物分子设计和核酸的分子识别分析

分子识别分析理论应用于药物分子设计是新药开发的要求，也是分析化学一个极具潜力的发展方向，分子识别分析不仅为药物分子设计提供了生物大分子的组成，结构基基本信息，还为了解药物分子与生物大分子相互作用位点及作用方式提供了模型，本文评述了与药物分子设计中有关的核酸物质的分子识别分析，它们是设计好的抗癌药物的基础。     

1,2,3-三唑类化合物在分子识别中的应用

分子识别是超分子化学研究的重要内容,包括阳离子识别、阴离子识别和中性分子识别等.1,2,3-三唑因为其独特的结构和化学特性,广泛应用于超分子化学的各个领域.按照阳离子识别、阴离子识别以及中性小分子和生物大分子识别等类型,综述了近年来三唑类化合物在分子识别领域中的应用情况.     

分子印迹样品前处理技术的研究进展

分子印迹技术是制备对特定目标分子具有分子识别性能的分子印迹聚合物的技术.分子印迹聚合物(MIP)兼备了生物识别体系和化学识别体系的优点,具有抗恶劣环境、选择性高、稳定性好、机械强度高、制备简单等特点,可选择性识别富集复杂样品中的目标物.     

金属卟啉配合物的分别识别研究进展

综述了金属卟啉配合物分子识别研究进展，介绍了金属卟啉配合在物分子形状与大小识别、管能团识别和手性识别方面的研究概况。     

[2+2]型苯并咪唑环番的一锅法合成

超分子化学是当今化学中发展迅速、极具前景的研究领域.分子识别是形成超分子化合物的基础.环番由于兼备冠醚、环糊精和多齿配体的一些特性,在分子识别、离子识别、超分子催化、模拟酶、分子自组装、材料科学等方面得到了广泛关注.     

金属卟啉配合物的分子识别研究进展

综述了金属卟啉配合物的分子识别研究进展。介绍了金属卟啉配合物在分子形状与大小识别、官能团识别和手性识别方面的研究概况。     

氢键识别超分子聚合物的新进展

近年来，由于氢键作用对聚合物的热力学性质、微观自组装、结晶及液晶行为的重要影响，氢键识别在超分子聚合物的分子设计与结构控制方面的应用受到广泛关注。本文系统介绍了氢键识别体系的类型与性质，以及分子结构、分子内氢键对氢键识别强度的影响，讨论了羧酸与吡啶间氢键识别体系、与核苷相关的氢键识别体系以及四重氢键识别体系在超分子聚合物中的最新应用，主要介绍了氢键识别超分子聚合物的合成、结构、性质及功能。     

分子印迹阵列式传感器的研究进展

分子印迹阵列式传感器具有识别率高、选择性好、价格低廉等优点,受到研究者们的极大关注,已经在食品分析、环境分析、药物分析、临床诊断等研究领域中得到应用。分子印迹阵列式传感器是以分子印迹聚合物作为识别元素的集成化传感器,通过各传感单元对分析物响应后产生的特征图谱实现对目标化合物的识别,不仅可用于单一目标化合物的选择性识别,还可以用于多种目标化合物同时存在时的测定。分子印迹阵列式传感器的响应信号机制主要划分为光信号、质量敏感信号和电化学信号等。本文简要介绍了分子印迹技术的产生和发展,重点评述了基于三种信号机制的分子印迹阵列式传感器的研究进展,并展望了分子印迹阵列式传感器的应用前景和研究方向。     

铜离子配位的分子印迹聚合物的分子识别特性研究

为了探讨金属配位分子印迹聚合物的识别机理,提高了分子印迹聚合物分离的选择性与亲和性,制备了金属铜离子与2,2‘－联吡啶配合物的分子印迹聚合物,并用平衡吸附法系统研究了分子印迹聚合物对铜（Ⅱ）－2,2‘-联吡啶配合物的识别。证明印迹聚合物对铜（Ⅱ）-2,2‘-联吡啶具有选择性识别能力,Scatchard分析显示在聚合物中存在两类不同的结合位点,求得结合位点的离解常数和最大结合量,并研究了识别过程的动力学。结果表明金属配位分子印迹聚合物有较高的特异性识别能力和较快的动力学结合过程。     

分子识别中质子客体的荧光传感和开关研究进展

分子识别是超分子化学的核心概念 ,而荧光开关PET体系又是分子识别中的重要组成部分 ,是超分子化学和光物理学科相结合的成就 ,作为一种全新的客体识别分析手段由于其独特的应用价值 ,近十年以惊人的速度在向前发展。本文综合 1 998年以前的文献对质子客体的荧光开关PET体系进行了全面介绍。     

环糊精在手性药物分离分析研究中的应用

环糊精由于自身特殊的手性环境和结构特征,已广泛运用于手性化合物的对映体拆分及分析。对近年来环糊精在各种色谱、质谱及核磁等分析方法中的应用进行了归纳总结,综述了环糊精及其衍生物在手性药物的分离分析方面的研究进展。     

Tuning the cavity of cyclodextrins: altered sugar adaptors in protein pores

Cyclodextrins (CDs) have been widely used in host-guest molecular recognition because of their chiral and hydrophobic cavities. For example, β-cyclodextrin (βCD) lodged as a molecular adaptor in protein pores such as α-hemolysin (αHL) is used for stochastic sensing. Here, we have tuned the cavity and overall size of βCD by replacing a single oxygen atom in its ring skeleton by a disulfide unit in two different configurations to both expand our ability to detect analytes and understand the interactions of βCD with protein pores. The three-dimensional structures of the two stereoisomeric CDs have been determined by the combined application of NMR spectroscopy and molecular simulation and show distorted conformations as compared to natural βCD. The interactions of these synthetic βCD analogues with mutant αHL protein pores and guest molecules were studied by single-channel electrical recording. The dissociation rate constants for both disulfide CDs from the mutant pores show ～1000-fold increase as compared to those of unaltered βCD, but are ～10-fold lower than the dissociation rate constants for βCD from wild-type αHL. Both of the skeleton-modified CDs show altered selectivity toward guest molecules. Our approach expands the breadth in sensitivity and diversity of sensing with protein pores and suggests structural parameters useful for CD design, particularly in the creation of asymmetric cavities.     

UVA and UVB decrease the expression of CD44 and hyaluronate in mouse epidermis, which is counteracted by topical retinoids

The transmembrane glycoprotein CD44 is currently thought to be the main cell surface receptor for the glycosaminoglycan hyaluronate. We previously showed that (1) CD44 regulate keratinocyte proliferation; (2) topical retinoids dramatically increase the expression of CD44, hyaluronate and hyaluronate synthase (HAS)s in mouse epidermis; (3) topical retinaldehyde restores the epidermal thickness and CD44 expression which are correlated with clinical improvement in lichen sclerosus et atrophicus lesions; and (4) retinaldehyde-induced proliferative response of keratinocytes is a CD44-dependent phenomenon and requires the presence of HB-EGF, erbB1 and matrix metalloproteinases. In this study, we analyzed the effect of UV irradiation on the levels of epidermal hyaluronate and CD44 in mice, as well as its potential prevention by topical retinoids. UVA (10 J/cm(2)) or UVB (1 J/cm(2)) irradiation significantly decreased the expression of CD44 and hyaluronate in the epidermis of hairless mice after 2 h. Expression of both epidermal CD44 and hyaluronate was reconstituted within 24 h. Topical application of retinaldehyde for 3 days prior to UVA or UVB irradiation prevented the decrease of CD44 and hyaluronate expression. Topical retinol and retinoic acid also increased the basal levels of epidermal CD44 and hyaluronate, although their preventive effect on UV-induced decrease of these molecules was less pronounced as compared to topical retinaldehyde. These data confirm the relationships between retinoid and CD44 pathways, although the primary target(s) of UV leading to CD44 and hyaluronate degradation remain to be elucidated.     

Conformation‐Specific Circular Dichroism Spectroscopy of Cold,Isolated Chiral Molecules

The CD spectroscopy of a chiral compound in solution yields an average CD value derived from all of the conformations of a chiral molecule. By contrast, CD spectroscopy of cold chiral molecules in the gas phase distinguishes specific conformers of a chiral molecule, but the weak CD effect has limited the practical application of this technique. Reported herein is the first resonant two‐photon ionization CD spectra of ephedrines in a supersonic jet using circularly polarized laser pulses, which were generated by synchronizing the oscillation of the photoelastic modulator with the laser firing. The spectra exhibited well‐resolved CD bands which were specific for the conformations and vibrational modes of each enantiomer. The CD signs and magnitudes of the jet‐cooled chiral molecules were very sensitive to their conformations and thus offered crucial information for determining the three‐dimensional structures of chiral species, as conducted in combination with quantum chemical calculations.     

Conformation‐Specific Circular Dichroism Spectroscopy of Cold,Isolated Chiral Molecules

The CD spectroscopy of a chiral compound in solution yields an average CD value derived from all of the conformations of a chiral molecule. By contrast, CD spectroscopy of cold chiral molecules in the gas phase distinguishes specific conformers of a chiral molecule, but the weak CD effect has limited the practical application of this technique. Reported herein is the first resonant two‐photon ionization CD spectra of ephedrines in a supersonic jet using circularly polarized laser pulses, which were generated by synchronizing the oscillation of the photoelastic modulator with the laser firing. The spectra exhibited well‐resolved CD bands which were specific for the conformations and vibrational modes of each enantiomer. The CD signs and magnitudes of the jet‐cooled chiral molecules were very sensitive to their conformations and thus offered crucial information for determining the three‐dimensional structures of chiral species, as conducted in combination with quantum chemical calculations.     

固体CD光谱研究及其应用于手性席夫碱M(II)配合物

结合课题组近期的相关研究,对固体CD光谱在手性配合物研究中的应用,特别是手性样品固体CD光谱的测试方法进行了概述,通过对四对手性席夫碱M(II)(M=Ni、Cu)配合物的固体和溶液CD光谱进行比较研究,发现配合物的手性构型在固液相中保持一致,但其固液CD光谱之间存在不同程度的差异,可能是由于相应配合物在固体和溶液相中的四面体扭曲或构象的微妙不同所致.     

固体CD光谱研究及其应用于手性席夫碱M(II)配合物

结合课题组近期的相关研究, 对固体CD光谱在手性配合物研究中的应用, 特别是手性样品固体CD光谱的测试方法进行了概述, 通过对四对手性席夫碱M(II) (M = Ni、Cu)配合物的固体和溶液CD光谱进行比较研究, 发现配合物的手性构型在固液相中保持一致, 但其固液CD光谱之间存在不同程度的差异, 可能是由于相应配合物在固体和溶液相中的四面体扭曲或构象的微妙不同所致.     

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.     

碳量子点-金属有机骨架复合材料的合成和应用

金属-有机骨架材料(MOF)与碳量子点(CD)的复合材料CD@MOF是一种应用范围很广的新型材料。本文介绍了MOF和CD@MOF复合材料的合成方法和复合材料在各领域中的应用,并对其未来发展作出了展望。     

β环糊精对苯乙烯无皂乳液聚合的影响

以苯乙烯为单体,过硫酸钾为引发剂,研究了β环糊精对无皂乳液聚合反应的影响.结果表明,环糊精的引入可以大大加快反应速度,提高单体转化率,并且反应速度随环糊精加入量的增加而增大;同时,环糊精的引入能够减小制得的聚合物微球的粒度分布,使聚合物微球的粒径大小更加均匀,而对粒径的影响不是很大.动力学分析的结果表明,环糊精可以提高单体的反应活性.当环糊精/单体比例增大到0.2时,单体反应活性是空白体系的3.3倍.