Facile non‐lithographic route to highly aligned silica nanopatterns using unidirectionally aligned polystyrene‐block‐polydimethylsiloxane films

Thin films (monolayer and bilayer) of cylinder forming polystyrene‐block‐polydimethylsiloxane (PS‐b‐PDMS) were shear aligned by the swelling and deswelling of a crosslinked PDMS pad that was physically adhered to the film during solvent vapor annealing. The nanostructures formed by self‐assembly were exposed to ultraviolet‐ozone to partially oxidize the PDMS, followed by calcination in air at 500 °C. In this process, the PS segments were fully decomposed, while the PDMS yielded silica nanostructures. The highly aligned PDMS cylinders were thus deposited as silica nanolines on the silicon substrate. Using a bilayer film, the center‐to‐center distance of these features were effectively halved from 38 to 19 nm. Similarly, by sequential shear‐alignment of two distinct layers, a rhombic array of silica nanolines was fabricated. This methodology provides a facile route to fabricating complex topographically patterned nanostructures. © 2015 Wiley Periodicals, Inc. J. Polym. Sci., Part B: Polym. Phys. 2015 , 53, 1058–1064     

Parametric multiple sequence alignment and phylogeny construction

Bounds are given on the size of the parameter-space decomposition induced by multiple sequence alignment problems where phylogenetic information may be given or inferred. It is shown that many of the usual formulations of these problems fall within the same integer parametric framework, implying that the number of distinct optima obtained as the parameters are varied across their ranges is polynomially bounded in the length and number of sequences.     

计算全息图产生的锥面波在激光准直中的应用

本文提出了用计算全息图产生锥面波的方法.将全息图置于激光光路中,它的衍射图样中心在空间形成了一条准直线.文中对锥面波的传播、准直精度及准直距离作了理论分析,给出了实验结果.     

Synthesis and orientation study of a magnetically aligned liquid‐crystalline chitin/poly(acrylic acid) composite

A high magnetic field of 5 T was used to fabricate a magnetically aligned, optically anisotropic, liquid‐crystalline chitin/poly(acrylic acid) composite. The aligned mesophase was fixed by photoinitiated free‐radical polymerization. From an examination of polarized optical micrographs and an X‐ray diffraction study, a high degree of orientation of 0.70 was observed for the composite with a higher liquid‐crystalline chitin concentration (10.70 wt %); the orientation was reduced with a decreased chitin concentration at a given acrylic acid concentration. The X‐ray data for the developed composite showed a uniplanar orientation for the chitin crystallites, with its molecular long axes perpendicular to the direction of the magnetic field. © 2003 Wiley Periodicals, Inc. J Polym Sci Part B: Polym Phys 41: 711–714, 2003     

Identifying potential binding modes and explaining partitioning behavior using flexible alignments and multidimensional scaling

A method is described for the rapid and automatic analysis of flexible molecular alignments using multidimensional scaling and a normalized scoring scheme. A projection scheme was devised to separate orientational and conformational effects. It is shown that the approach can be utilized for the identification of common binding orientations or to the study of differences in partioning behavior. It is suggested that the method can be employed as a novel approach exploring molecular similarity as a dynamic property, so that it includes aspects of motion (by way of mutual orientations), conformations and molecular properties.     

Nanowire‐Based Electrochemical Biosensors

We review recent advances in biosensors based on one‐dimensional (1‐D) nanostructure field‐effect transistors (FET). Specifically, we address the fabrication, functionalization, assembly/alignment and sensing applications of FET based on carbon nanotubes, silicon nanowires and conducting polymer nanowires. The advantages and disadvantages of various fabrication, functionalization, and assembling procedures of these nanosensors are reviewed and discussed. We evaluate how they have been used for detection of various biological molecules and how such devices have enabled the achievement of high sensitivity and selectivity with low detection limits. Finally, we conclude by highlighting some of the challenges researchers face in the 1‐D nanostructures research arena and also predict the direction toward which future research in this area might be directed.     

Different approaches toward an automatic structural alignment of drug molecules: Applications to sterol mimics,thrombin and thermolysin inhibitors

Summary A relative comparison of the binding properties of different drug molecules requires their mutual superposition with respect to various alignment criteria. In order to validate the results of different alignment methods, the crystallographically observed binding geometries of ligands in the pocket of a common protein receptor have been used. The alignment function in the program SEAL that calculates the mutual superposition of molecules has been optimized with respect to these references. Across the reference data set, alignments could be produced that show mean rms deviations of approximately 1 Å compared to the experimental situation. For structures with obvious skeletal similarities a multiple-flexible fit, linking common pharmacophoric groups by virtual springs, has been incorporated into the molecular mechanics program MOMO. In order to combine conformational searching with comparative alignments, the optimized SEAL approach has been applied to sets of conformers generated by MIMUMBA, a program for conformational analysis. Multiple-flexible fits have been calculated for inhibitors of ergosterol biosynthesis. Sets of different thrombin and thermolysin inhibitors have been conformationally analyzed and subsequently aligned by a combined MIMUMBA/SEAL approach. Since for these examples crystallographic data on their mutual alignment are available, an objective assessment of the computed results could be performed. Among the generated conformers, one geometry could be selected for the thrombin and thermolysin inhibitors that approached reasonably well the experimentally observed alignment.     

Optical Alignment of Organic Dopants in a Solid Gel Matrix: Dispersed and Grafted Rhodamine B Molecules

We study herein the rotational mobility of organic dye molecules and their ability to align on a strong optical electric field when they are encaged in the pores of an inorganic silica xerogel matrix. We compare the case of dye molecules simply dispersed in the pores of the gel—and possibly held by hydrogen bonds—to the case of molecules chemically grafted on the inner surface of these pores through covalent bonds. The study is led on hybrid silicon-zirconium based inorganic matrices doped with organic rhodamine B molecules. The stronger holding of the dopants when these are grafted to the matrix enhances the molecular alignment—and thus the induced anisotropy—as well as the remanence of this alignment. Furthermore, we show that submitting the samples to a supplementary drying at higher temperature tends to increase both the alignment anisotropy and its stability. We explain these results in terms of mobility of the molecules, in relation to their immediate environment.     

液晶光定向层材料

本文综述了近10年来液晶显示用光定向层材料领域的研究现状和进展情况，主要概述了光降解型、光致异构型、光交联型以及自组装等材料，并对目前报道的液晶光定向机理进行了总结和归纳。