生物体系中有机小分子构建的pH值检测荧光探针研究进展

由于传统的pH计不能很好地应用在微环境(如亚细胞器)和复杂生物体系中的pH值动态和精确定量检测,因此迫切需要研究可监测复杂多变生物体系中pH值变化且具有高灵敏度的pH值响应分子探针.就近年来用于生物体系(主要是活细胞内)pH值检测的小分子荧光探针作简要综述,同时对目前基于有机小分子构建的荧光探针用于生物体系pH值检测研究及其未来的发展趋势进行展望.     

有机分子电子输运性质的研究

利用从头计算理论和弹性散射格林函数的方法,对有机分子1,4-苯二硫酚（benzene-1,4-dithiol）和对苯二甲氰（1,4-phenylene diisocyanide）的电子输运性质进行了理论研究．结果显示两种分子都具有电导的平台效应和电流的线性响应,但分子与电极的耦合程度不同,电流的开启位置和电导平台的宽度与高度也有明显的区别．     

DNA与小分子相互作用的研究进展

概述了能与DNA发生相互作用的小分子的种类和不同小分子与DNA相互作用的方式、机理,并对DNA与小分子相互作用研究的常用方法,以及这些方法的特点进行了评述。最后对其发展前景,尤其是对药物分子与DNA相互作用的未来发展方向进行了展望与预测。     

Ferroelectricity of weak-polar organic molecules in alternate Langmuir-Blodgett multilayer films

Pyroelectric material is a polar solid and has been interested since the 1960s. Today it is one of important materials used in infrared detectors[1]. With the development of the devices, the focus point on the materials applied has been transferred from bulk materials to film ones. Ferroelectric material is a kind of pyroelectric materials which spontaneous polarization can be reversed with the direction change of external electric field. Observation of ferroelectric hysteresis loop or not cou…     

小分子对氯化血红素催化性能的影响

以氯化血红素(hemin)催化H2O2氧化邻苯三酚红反应为指示反应,研究了氨基酸、有机碱、表面活性剂等多种小分子对hemin催化性能的影响．发现,L-精氨酸、L-组氨酸、L-苯丙氨酸、L-色氨酸对hemin的催化性能有明显的增强作用．并使其最适pH更接近天然过氧化物酶的最适pH;具有芳香结构的阴离子表面活性剂十二烷基苯磺酸钠胶团(SDBS)也可提高hemin的催化性能,且与L-精氨酸、L-组氨酸、L-苯丙氨酸有明显的协同效应．该结果可为hemin与保守氨基酸衍生表面活性荆胶团模拟过氧化物酶研究提供科学依据．     

烷烃小分子溶剂化自由能的快速计算

将ABEEMσπ浮动电荷模型与generalized Born(GB)模型相结合,计算分子的溶剂化自由能.GB模型是一种连续介质模型,计算快速而简单,但是这种模型的计算精度却尚待提高.由于ABEEMσπ浮动电荷模型将分子的电荷区域进行了详细划分,分为原子区域、单键和双键区域、孤对电子区域,而且双键区域又更详细地分为1个σ键和4个π键区域,充分考虑了在外界环境发生变化的情况下,分子内部各个原子电荷重新排布,因而极大地提高了GB模型的计算精度.利用该方法快速准确地计算了几个烷烃小分子的溶剂化自由能.     

Spectral variation of light-emitting diodes based on organic molecules doped polymer

Organic light-emitting diodes based on naphthylimine-gallium complexes doped into a PPV derivative have been fabricated by a spin coating method. Color variation from green to blue with increase of the applied voltage has been observed. And the electroluminescent intensity of the blend samples is much stronger than that of the samples containing the complexes only. The results have been attributed to the variation of the recombination zone and the charge transfer between the materials. The process of the charge transport has been analyzed in detail.     

Supramolecular self-assembled molecules as organic directing agent for synthesis of zeolites

Solid materials with uniform micropores, such as zeolites, can act as selective catalysts and adsorbents for molecular mixtures by separating those molecules small enough to enter their pores while leaving the larger molecules behind. Zeolite A is a microporous material with a high void volume. Despite its widespread industrial use in, for example, molecular separations and in detergency, its capability as a petroleum-refining material is limited owing to its poor acid-catalytic activity and hydrothermal stability, and its low hydrophobicity. These characteristics are ultimately a consequence of the low framework Si/Al ratio (normally around one) and the resulting high cationic fraction within the pores and cavities. Researchers have modified the properties of type-A zeolites by increasing the Si/Al compositions up to a ratio of three. Here we describe the synthesis of zeolite A structures exhibiting high Si/Al ratios up to infinity (pure silica). We synthesize these materials, named ITQ-29, using a supramolecular organic structure-directing agent obtained by the self-assembly, through pi-pi type interactions, of two identical organic cationic moieties. The highly hydrophobic pure-silica zeolite A can be used for hydrocarbon separations that avoid oligomerization reactions, whereas materials with high Si/Al ratios give excellent shape-selective cracking additives for increasing propylene yield in fluid catalytic cracking operations. We have also extended the use of our supramolecular structure-directing agents to the synthesis of a range of other zeolites.     

Preserving the membrane barrier for small molecules during bacterial protein translocation

Many proteins are translocated through the SecY channel in bacteria and archaea and through the related Sec61 channel in eukaryotes. The channel has an hourglass shape with a narrow constriction approximately halfway across the membrane, formed by a pore ring of amino acids. While the cytoplasmic cavity of the channel is empty, the extracellular cavity is filled with a short helix called the plug, which moves out of the way during protein translocation. The mechanism by which the channel transports large polypeptides and yet prevents the passage of small molecules, such as ions or metabolites, has been controversial. Here, we have addressed this issue in intact Escherichia coli cells by testing the permeation of small molecules through wild-type and mutant SecY channels, which are either in the resting state or contain a defined translocating polypeptide chain. We show that in the resting state, the channel is sealed by both the pore ring and the plug domain. During translocation, the pore ring forms a 'gasket-like' seal around the polypeptide chain, preventing the permeation of small molecules. The structural conservation of the channel in all organisms indicates that this may be a universal mechanism by which the membrane barrier is maintained during protein translocation.     

有机液中声速与液体分子势能关系研究

用液体分子自由体积理论，研究了有机液体声速与液体中分子势能间的关系．结果表明，有机液体分子间的势能是影响液体声速的主要原因之一     

有机物同分异构体生成算法及其实现

介绍一种自动生成有机物同分异构体的算法，提出了一种可以惟一表示有机物分子结构的表示方法有效解决了如何对两个有机分子进行比较的问题．     

Ultafast organic nonlinear optical molecules and the realization of mesoscopic photonic devices

In the twentieth century, revolutionary changes took place in the human society and people’s life-style due to the improvement of the optoelectronic information technology based on the second-order nonlinear optical effects, such as the electro-optic effect, the second harmonic generation (SHG), and so on. Along with the rapid development of light information technology, new principles and methods of nonlinear optics are needed, and the third-order nonlinear optical effects attract great attention. The research progress of nonlinear optics is reviewed in this article. Our research work on the third-order nonlinear optical materials, ultrafast and low-power organic all-optical photonic crystal switching are introduced.     

聚十二碳烯整体柱的制备及其对小分子的分离

以1-十二碳烯(C12)作为反应单体,以三羟甲基丙烷三丙烯酸酯(TMPTA)和乙二醇二甲基丙烯酸酯(EDMA)为交联剂,以偶氮二异丁腈(AIBN)为引发剂通过自由基原位聚合制备了有机聚合物整体柱.通过电子扫描显微镜、红外光谱等方法分别对其内部结构、官能团进行了表征,并且对通透性进行了研究.结果表明,该整体柱结构较均匀,且渗透性良好.将该整体柱作为高效液相色谱的固定相对小分子进行了分离,取得了较好的分离效果.