基于分子印记技术和荧光、磷光检测的仿生分子识别方法

介绍了分子印记技术的原理、方法及其在仿生分子识别中的应用． 对基于荧光和磷光检测有仿生分子识别的发展前景进行了展望．     

二聚雌二醇分子钳的合成及分子识别性能的研究

通过二亚甲基苯和二亚甲基吡啶桥联两发了子雌二醇,而得到一类新型的钳型分子受体,经ＭＳ,ＩＲ,＾ＨＮＭＲ及元素分析确证了其结构,利用分光光谱滴定法考察基分子识别性能,结果表明,该类分子钳（ｍｏｌｅｃｕｌａｒｔｗｅｅｇｅｒ）可识别芳胺及其衍生物。     

味觉及药物的分子识别与分子拓扑结构的关系—试论中药药性理论

此文利用化学信息论概念，对辣椒碱类分子及具有抗癌作用的N^6-(n烷脲基）嘌呤的分子拓扑相似度指数I（P，Q）进行了计算。结果说明辣味强度与抗癌药效的变化与I（P，Q）的定性判据一致。从味觉的分子识别与药物的分子识别的相似规律出发，对祖国医学的药性理论进行了解释。     

超分子体系中的分子识别--以环糊精为受体的分子识别和分子组装研究最新进展

综述了环糊精化学研究的最新进展,包括环糊精、修饰环糊精和桥联环糊精的分子识别和分子组装的研究概况.     

氨基甲酸酯型石胆酸裂口分子的手性识别性能研究

用差紫外光谱滴定法考察了新型裂口分子1～3对D/L-氨基酸甲酯的手性识别性能.测定了主客体间的结合常数(kα)和自由能变化(△G°).结果表明,裂口分子主体对所考察的客体分子显示良好的手性识别作用, 其对D-氨基酸甲酯的识别优于对L-氨基酸甲酯的识别,识别作用的主要推动力为氢键,范德华力等的协同作用.讨论了主体与客体间形状、大小匹配和几何互补等因素,对形成超分子配合物的影响,并利用计算机分子模拟作为辅助手段对实验结果与现象进行了解释.     

手性联苯二甲酸分子裂缝对氨基酸衍生物的对映选择性识别

用差紫外光谱滴定法考察了新型分子裂缝1-3对D／L．氨基酸甲酯的手性识别性能,测定了主客体间的结合常数（k）和自由能变化（△G°）．结果表明,裂口分子主体对所考察的客体分子显示良好的手性识别作用,其对D-氨基酸甲酯的识别优于对L-氨基酸甲酯的识别,识别作用的主要推劫力为氢键,范德华力等的协同作用．讨论了主体与客体间形状、大小匹配和几何互补等因素,对形成超分子配合物的影响,并利用计算机分子模拟作为辅助手段对实验结果与现象进行了解释．     

氨基甲酸酯型石胆酸裂口分子的手性识别性能研究

用差紫外光谱滴定法考察了新型裂口分子1-3对D／L-氨基酸甲酯的手性识别性能,测定了主客体间的结合常数（kα）和自由能变化（△G°）．结果表明,裂口分子主体对所考察的客体分子显示良好的手性识别作用,其对D-氨基酸甲酯的识别优于对L-氨基酸甲酯的识别,识别作用的主要推动力为氢键,范德华力等的协同作用．讨论了主体与客体间形状、大小匹配和几何互补等因素,对形成超分子配合物的影响,并利用计算机分子模拟作为辅助手段对实验结果与现象进行了解释．     

超分子化学、选择性分子间力和若干化学研究领域

介绍超分子化学的概念，说明超分子体系形成的动因是分子间（尤其是选择性分子间）相互作用力，而选择性分子间力的存在又是分子识别现象发生的前提．产生选择性分子间力的原因是分子中原子群体或基团的电荷效应和空间效应．选择性分子间力和分子识别是超分子化学的关键所在．引用近期文献对超分子化学促进化学研究前沿领域发展的概况进行了综述，对超分子化学的发展前景加以展望．     

手性不对称脲联苯二甲酸分子钳对中性分子的识别性能研究

用差紫外光谱滴定法考察了新型分子钳1～5对苯胺、对甲氧基苯胺、对氨基苯乙酮等中性分子的识别性能,测定了主客体问的结合常数(kg)和自由能变化(△G°).结果 表明,分子钳主体对所考察的客体分子显示良好的识别作用,主客体间形成11型超分子配合物,最大结合常数可达5119.23 L·mol-1,识别作用的主要推动力为氢键,π-π重叠等的协同作用.讨论了主体与客体间形状、大小匹配和几何互补等因素,对形成超分子配合物的影响,并利用计算机分子模拟作为辅助手段对实验结果与现象进行了解释.     

酯型脱氧胆酸分子钳受体的合成及分子识别研究

以脱氧胆酸甲酯为spacer,苯衍生物作为arm合成了一系列分子钳受体。其结构经IR,^1HNMR及元素分析鉴定,并且基于计算机分子模拟确认了其构象。利用分光光谱法考察了其识别性能,并对主－客体间的尺寸／形状匹配和识别作用的推动力进行了讨论。     

Major histocompatibility complex class I molecules internalized via coated pits in T lymphocytes

Endocytosis of the major histocompatibility complex (MHC)-encoded class I and class II molecules has been the subject of recent investigations. Class I molecules, which are key elements in T cell-mediated cytotoxicity, are differentially endocytosed by different cell types. Fibroblasts internalize their class I molecules via uncoated cell surface vesicles and tubular invaginations when these molecules are cross-linked with multivalent ligands. T lymphocytes internalize their class I molecules spontaneously, but B lymphocytes do not internalize them at all. Here we describe a morphological investigation of the mechanism by which class I molecules are endocytosed by T lymphocytes. We show that, unlike fibroblasts, T lymphocytes spontaneously internalize 20-40% of their class I molecules in a process involving coated pits and coated vesicles. Thus, the endocytic pathway of class I molecules in T lymphocytes is similar to those of other more classical cell-surface receptors involved in receptor-mediated endocytosis. In contrast, the same class I molecules remained on the cell surface in B lymphocytes. These data show that class I molecules are differentially regulated in T and B lymphocytes and fibroblasts.     

Molecular control over Au/GaAs diodes

The use of molecules to control electron transport is an interesting possibility, not least because of the anticipated role of molecules in future electronic devices. But physical implementations using discrete molecules are neither conceptually simple nor technically straightforward (difficulties arise in connecting the molecules to the macroscopic environment). But the use of molecules in electronic devices is not limited to single molecules, molecular wires or bulk material. Here we demonstrate that molecules can control the electrical characteristics of conventional metal-semiconductor junctions, apparently without the need for electrons to be transferred onto and through the molecules. We modify diodes by adsorbing small molecules onto single crystals of n-type GaAs semiconductor. Gold contacts were deposited onto the modified surface, using a 'soft' method to avoid damaging the molecules. By using a series of multifunctional molecules whose dipole is varied systematically, we produce diodes with an effective barrier height that is tuned by the molecule's dipole moment. These barrier heights correlate well with the change in work function of the GaAs surface after molecular modification. This behaviour is consistent with that of unmodified metal-semiconductor diodes, in which the barrier height can depend on the metal's work function.     

Self-aggregation of vapor-liquid phase transition

The concept of the molecular free path is introduced to derive a criterion distinguishing active molecules from inactive molecules in liquid phase. Based on molecular self-aggregation theory a concept of the critical aggregation concentration (CAC) of active molecules is proposed to describe the physical configuration before the formation of the nuclei in the process of vapor-liquid phase transition. All active molecules exist in the form of the monomer when the concentration of active molecules is lower than CAC, while the active molecules will generate aggregation once the concentration of the active molecules reaches CAC. However, these aggregates with the aggregation number N smaller than 5 can steadily exist in bulk phase. The other excess active molecules can only produce infinite aggregation and form a critical nucleus of vapor-liquid phase transition. Without outer perturbation the state point of CAC corresponds to the critical superheated or supercooled state in the process of vapor-liquid phase transition. With the aggregate property, the interfacial tension between the bulk phase and the tiny new phase is predicted and a correction is made for the classical nucleation rate in a quite good agreement with experimental results.     

稠环芳烃分子的对称性与其荧光效率的关系

本文主要讨论了几种稠环芳烃分子的对称性与其荧光效率的关系，并认为，在影响稠环芳烃荧光效率的诸多分子结构因素中，分子的对称性是一个不可忽视的重要因素，对称性高的分子，其荧光效率相对较高。     

电活性大环化合物的电化学分子识别方法

大环化合物在分子识别中是最重要的主体分子之一.在大环化合物上引入电活性基团,其氧化态和还原态对客体分子的作用明显不同,成为一种新颖独特的分子识别方法.综述了基于电活性大环化合物的电化学分子识别方法.     

CO* /CO exchange on Pd(111) at low temperature

Conclusion The behavior of CO*/CO exchange in a low temperature region is different from that in the high temperature region^[5]. From 193 to 203 K, the terminal-molecule exchange with the gas phase molecules is dominant, where a level-off regime appears. From 223 to 253 K, the bridge-molecule exchange with gas phase molecules is dominant. From 253 to 313 K, the mixed adsorbed molecules of the three-fold hollow and the bridge molecules can exchange with gas phase molecules respectively, and the two contradictable effects lead to the appearance of the second level-off regime.     

Segregation of MHC class II molecules from MHC class I molecules in the Golgi complex for transport to lysosomal compartments.

Traffic of MHC molecules dictates the source of peptides that are presented to T cells. The intracellular distribution of MHC class I and class II molecules reflects the dichotomy in presentation of antigen from endogenous and exogenous origin, respectively. In human B lymphoblastoid cells, class I molecules are present in compartments constituting the biosynthetic pathway, whereas class II molecules enter structures related to lysosomes during their biosynthesis.     

电极电位对L-蛋氨酸分子吸附构型影响的表面增强拉曼光谱

利用电化学现场表面增强拉曼光谱技术研究了在粗糙化金电极和银电极表面吸附的L-蛋氨酸自组装单分子膜结构随电位改变的特征.实验结果表明:在外加电位0--0.6V范围内,L-蛋氨酸主要是通过硫原子和去质子化羧基2个吸附位点与银电极表面产生相互作用的;而在金电极表面表现为分子中的氨基、去质子化羧基和硫原子3个吸附位点随电位负移而改变的特征;另外,对于金电极表面吸附的L-蛋氨酸单分子膜而言,还伴随着吸附物分子由于分子内旋转等而引致的分子构型的转变.     

混合气体放电中等离子体发射光谱诊断

采用水电极介质阻挡放电装置,分别在氮气/氩气、空气/氩气2种混合气体放电中,采用光谱的方法测量了氮分子(C3Πu)和氮分子离子391.4 nm(B2Σu+→X2Σg+)谱线随混合气体的体积分数的变化.实验表明:随混合气体中氩气体积分数的增加,氮分子(C3Πu)的谱线强度增强,而氮分子离子391.4 nm谱线强度减弱;在2种混合气体中、相同的氩气体积分数下,氮气/氩气混合气体放电时的氮分子(C3Πu)和氮分子离子391.4 nm(B2Σu+→X2Σg+)发射谱线强度比空气/氩气混合气体放电时的强.     

Cell-cell adhesion mediated by CD8 and MHC class I molecules

CD4 and CD8 are cell-surface glycoproteins expressed on mutually exclusive subsets of peripheral T cells. T cells that express CD4 have T-cell antigen receptors that are specific for antigens presented by major histocompatibility complex class II molecules, whereas T cells that express CD8 have receptors specific for antigens presented by MHC class I molecules (reviewed in ref. 1). Based on this correlation and on the observation that anti-CD4 and anti-CD8 antibodies inhibit T-cell function, it has been suggested that CD4 and CD8 increase the avidity of T cells for their targets by binding to MHC class II or MHC class I molecules respectively. Also, CD4 and CD8 may become physically associated with the T-cell antigen receptor, forming a higher-affinity complex for antigen and MHC molecules, and could be involved in signal transduction. Cell-cell adhesion dependent CD4 and MHC II molecules has recently been demonstrated. To determine whether CD8 can interact with MHC class I molecules in the absence of the T-cell antigen receptor, we have developed a cell-cell binding assay that measures adhesion of human B-cell lines expressing MHC class I molecules to transfected cells expressing high levels of human CD8. In this system, CD8 and class I molecules mediate cell-cell adhesion, showing that CD8 directly binds to MHC class I molecules.