Effect of alkyl substitutions on self-assembly

The self-assemblies of 4-hexadecyloxybenzoic acid and 3,4,5-trihexadecyloxybenzoic acid have been studied by using scanning tunneling microscopy (STM). The well-ordered assemblies with different arrangement have been investigated. The structural change is attributed to the different number of substituted alkyl chains on periphery.     

Self-assembled structure of alkyloxy substituted benzoic acid methyl ester on HOPG：An STM study

Self-assembled structures of 3,4,5-tris-dodecy-loxy benzoic acid methyl ester (E12), 3,4,5-tris-tetradecy-loxy-benzoic acid methyl ester (E14) and their mixture (E12/E14) have been studied on HOPG by scanning tunneling microscopy (STM). Dimer-like patterns induced by dipole-dipole interaction are observed in E12 and E14 monolayers. The molecules form close-packed rows and interdigitate with the alkyl chains in adjacent molecules. The structural differences are proposed to be from the different length of substituted alkyl chains. Owing to similar adsorption energy, phase separation is observed in the E12 and E14 mixed adlayer with different domains.     

Molecular self-assembly behavior of mono[6-O-6-(4-carboxyl-phenyl)]-β-CD in solution and solid state

A novel modified cyclodextrin, mono[6-O-6-(4-carboxyl-phenyl)]-]-β-CD (1), has been synthesized by the reaction of mono[6-(p-toluenesulfonyl)]-β-CD with 4-hydroxybenzoate, and its molecular self-assembly behavior in both solution and solid state was studied by means of crystallography, NMR spectroscopy and microcalorimetry. The results indicate that the bezoic acid groups are successively penetrated intermolecularly into the adjacent β-CD cavities to form helical columnar supramolecules in the solid state. As compared with crystal, the similar self-assembly behavior of 1 in aqueous solution has also been confirmed by the ^1H ROESY spectroscopy. Thermodynamically, the formation of polymeric supramolecules by modified CD in aqueous solution is mainly driven by entropy changes.     

最大匹配问题Tile自组装模型

Tile自组装模型凭借其自组装、可编程等特性在解决NP问题方面具有巨大优势.文中提出了一种求解最大匹配问题的Tile自组装新模型,该模型主要由初始配置子系统、选择子系统及检测子系统3大部分构成.新模型中首先设计Tile分子存储问题信息,其次通过Tile分子自组装操作生成最大匹配问题解空间,最后通过Tile检测分子筛选得到最大匹配问题的解.对模型从所需Tile分子种类、计算时间和计算空间3个方面进行性能分析,并通过实验模拟论证了模型的有效性和正确性.     

两嵌段共聚物在本体中自组装的耗散粒子动力学模拟研究

采用耗散粒子动力学(Dissipative particle dynamics,DPD)方法研究了线形两嵌段共聚物在本体中的自组装。通过改变两嵌段共聚物之间的比例、相互作用参数以及盒子的大小来研究对自组装结构的影响。这些模拟结果不仅与理论预测和实验结果相一致,而且证明了耗散粒子动力学方法是一种非常适合研究嵌段共聚物自组装行为的重要方法。     

L-半胱胺酸自组装膜修饰电极的制备及电化学表征

用不同制备方法得到了L-半胱胺酸自组装膜修饰电极，并采用不同的电化学方法表征了L-半胱胺酸自组装膜修饰电极。     

Expression and self-assembly of Heterocapsa circularisquama RNA virus-like particles synthesized in Pichia pastoris

Heterocapsa circularisquama RNA virus(HcRNAV) is the first single-stranded RNA virus to be characterized that infects dinoflagellates.The ability of HcRNAV coat protein(HcRNAV CP) to self-assemble into virus-like particles(VLPs) in vitro suggested that heterologous expression was possible,and that the VLPs might be ideal nanocontainers for the targeted delivery of genes and chemicals.In this paper,we report the expression of a codon-optimized HcRNAV 109 CP gene in Pichia pastoris and the production of self-assembled HcRNAV VLPs using large-scale fermentation.The HcRNAV 109 CP gene was synthesized according to the codon preference of P.pastoris and cloned into a pPICZA vector.The recombinant plasmid pPICZA-CPsyns was transformed into P.pastoris by electroporation.The resulting yeast colonies were screened by PCR and analyzed for protein expression by SDS polyacrylamide gel electrophoresis.After large-scale fermentation,the yield of HcRNAV CPsyns reached approximately 2.5 g L 1 within 4 d.The HcRNAV VLPs were purified using PEG precipitation followed by cesium chloride density gradient ultracentrifugation,and were subsequently analyzed using UV spectrophotometry and transmission electron microscopy.Fluorescence dye-labeled myoglobin was loaded into the cages of the HcRNAV VLPs and the encapsulation was confirmed by fluorescence spectroscopy.The results point to the possible utilization in pharmacology or nanotechnology of HcRNAV VLPs produced by P.pastoris fermentation.     

氨基硫脲配合物的组装及其非线性光学性质

论述了近年来国际上较为活跃的超分子化学领域,在配位化合物的分子设计和性质研究等方面的重要应用.依据超分子自组装与配位化合物的相关理论及研究状况,紧密结合本研究组的近期工作和最新进展,分析探讨了氨基硫脲系列超分子配合物的分子设计和组装,及其组成-结构-非线性光学性质,为后续新型功能性超分子配合物的设计合成提供必要的基础.     

脂质体研究综述

脂质体目前正处于蓬勃发展阶段,已经在很多方面显示出其巨大的应用潜力．介绍了脂质体的基本概念、形成机理和制备方法．两亲结构和自组装体的形成是脂质体形成的基础,研究自组装体的理论基础对于脂质体的制备具有重要的理论指导意义．     

Conformational Transitions and Self-assembly of Regenerated Spider Silk Protein in Water

Spider silk, relying on its exceptional mechanical properties, has attracted extensive attention throughout the world. The structure of a material can influence its mechanical properties. Investigation of the structure of spider silk includes amino acid composition, molecular structure, self-assembly, and crystallization, among other characteristics. Herein, the effects of concentration, time, alkali metal ions （Na^＋and K ^＋ ） and pH on the conformational transition and self-assembly of regenerated Ornithoctonus huwena spider dragline silk protein （spidroin） in water were investigated using circular dichroism （CD） and atomic force microScopy （AFM）. Spidroin concentration, time and Na ＋ ions slightly influenced the conformational transition of spidroin molecules. However, K ＋ ions and pH induced the formation of a β- sheet structure. Increasing spidroin concentration or time increased the aggregation of spidroin and enhanced the formation of nanoffiaments. K ~ ions enhanced the serf-assembly of spidroin into nanofilaments. The self-assembled nanofilaments appeared at a pH of approximately 6. 11. Both lower and higher pH induced aggregation. At a lower pH, the aggregation was composed of nanopartides, whereas higher pH induced the aggregation of nanoffiaments, likely from the synergistic effect of Na ^＋ ions and pH.