Liquid-crystalline fork-like dendrons

ABSTRACT

Dendritic molecules having several rigid-rod moieties can be applied to induce liquid crystallinity for a variety of non-mesomorphic functional molecules such as metal complexes, nanoparticles, fullerenes and π-conjugated molecules when these dendritic molecules are covalently bonded to those non-mesomorphic molecules. These complex molecules are called supermolecular liquid crystals. Due to the cooperation of several mesogenic moieties, these dendritic molecules exhibit very stable liquid-crystalline (LC) phases. We have used fork-shaped LC dendrons having two or three rigid-rod moieties to induce liquid crystallinity for functional molecules such as interlocked molecules and π-conjugated molecules. In these fork-like molecules, the rigid-rod cores are attached to the 3,4,5-position of the phenyl moieties through flexible spacer, and these molecules are bonded to functional molecules through the 1-position. They basically form smectic LC phases, which induce the layered arrangement of functional moieties. Here we report on a new family of fork-like mesogens containing a hydrogen bonding moiety or an ionic group. They are designed to build supramolecular materials.     

PBNA： An Improved Probabilistic Biological Network Alignment Method

Biological network alignment is an important research topic in the field of bioinformatics. Nowadays almost every existing alignment method is designed to solve the deterministic biological network alignment problem.However, it is worth noting that interactions in biological networks, like many other processes in the biological realm,are probabilistic events. Therefore, more accurate and better results can be obtained if biological networks are characterized by probabilistic graphs. This probabilistic information, however, increases difficulties in analyzing networks and only few methods can handle the probabilistic information. Therefore, in this paper, an improved Probabilistic Biological Network Alignment（PBNA） is proposed. Based on Iso Rank, PBNA is able to use the probabilistic information. Furthermore, PBNA takes advantages of Contributor and Probability Generating Function（PGF） to improve the accuracy of node similarity value and reduce the computational complexity of random variables in similarity matrix. Experimental results on dataset of the Protein-Protein Interaction（PPI） networks provided by Todor demonstrate that PBNA can produce some alignment results that ignored by the deterministic methods, and produce more biologically meaningful alignment results than Iso Rank does in most of the cases based on the Gene Ontology Consistency（GOC） measure. Compared with Prob method, which is designed exactly to solve the probabilistic alignment problem, PBNA can obtain more biologically meaningful mappings in less time.     

字符串匹配算法在DNA序列比对中的应用

高通量测序技术的飞速发展让生物信息领域迎来了大数据时代。新技术在提供海量生物遗传信息的同时,也给分析这些数据带来了新的挑战。DNA序列比对是信息分析流程中的关键步骤,为后续的变异检测提供序列比对信息。2015“深圳杯”数学建模夏令营B题以DNA序列比对为研究课题,希望参赛学生给出序列快速比对的最佳方案。本文简要点评了各参赛队伍的解答情况,然后介绍了现有DNA序列比对软件中用到的算法和数据结构。     

Hyperbranched polyimide application in liquid crystal alignment layers

Several hyperbranched polyimides (HBPIs) were applied in liquid crystal (LC) alignment layers and exhibited outstanding performance for LC alignment. The maximum pretilt angle was above 8°, and the minimum pretilt angle was 4.2°. The results of atomic force microscope measurement disclosed that a lot of grooves were aligned parallel to the rubbing direction and found that the grooves were not main factor for LC alignment. The LC alignment and pretilt angles are unambiguously associated with the intrinsic HBPI chemical structures. The results of thermal gravimetric analysis and ultraviolet–visible spectra showed that the HBPIs had good thermal stability and excellent transmittance. T₅ and T₁₀ were higher than 360°C and 400°C, respectively. Copyright © 2012 John Wiley & Sons, Ltd.     

The band alignment at CdS/Cu2ZnSnSe4 heterojunction interface

Band alignment at CdS/Cu₂ZnSnSe₄ heterojunction interface is studied by X‐ray photoemission spectroscopy. The Cu₂ZnSnSe₄ thin films are prepared by selenization of electrodeposited Cu‐Zn‐Sn precursors. CdS overlayers with different thickness are sequentially grown on the Cu₂ZnSnSe₄ substrate by pulsed laser deposition process. Photoemission spectra are obtained before and after each growth to study the conduction and valence band offsets at the heterojunction interface. The determined conduction band offset of 0.34 eV indicates a spike‐like ‘type I’ band alignment at CdS/Cu₂ZnSnSe₄ interface. The spike will avoid interface recombination, and it is low enough that electron could transfer from the Cu₂ZnSnSe₄ layer to the buffer layer which is suitable for solar cell's fabrication. Copyright © 2012 John Wiley & Sons, Ltd.     

Synthesis and properties of new materials with banana-shaped achiral cores and chiral end groups

New chiral bent-core mesogens, derivatives of 1,3-phenylene bis[4-(alkanyloxyphenyliminomethyl)benzoate], were synthesized with variation of a substituent (X=F, Cl); their antiferroelectric properties are described. The mesomorphic and switching properties were characterized by differential scanning calorimetry, polarizing optical microscopy, triangular wave method, and X-ray diffractometry in the small and wide angle regions. The presence of chiral tails at the terminals of side wings in the bent-core molecules induced a decrease in transition temperature and formation of the switchable SmC* phase in the melt. In addition, the introduction of a lateral halogen substituent in the Schiff's base moiety prevented the regular stacking of the molecules, resulting in the formation of very complex optical textures. The smectic phase with F-substituted PBFDOB and Cl-substituted PBCDOB showed layer spacings of 39 and 38.5?Å, respectively, corresponding to the end-to-end distance of molecules with a bent conformation. Significantly, the smectic phases of PBFDOB and PBCDOB exhibited a period of 179.5 and 131?Å, respectively, compatible with a helical structure with periodicity about 4.6 and 3.4 times the layer spacings.     

Liquid crystal alignment properties of 2-naphthoxymethyl-substituted polystyrenes

The liquid crystal (LC) alignment properties of LC cells fabricated with films of 2-naphthoxymethyl-substituted polystyrenes with different contents of naphthoxymethyl side groups were investigated. The polymer films exhibited good optical transparency in the visible light region (400–700 nm). The LC cells made from the unrubbed films of polymers having more than 57 mol%?of 2-naphthoxymethyl containing monomeric units showed homeotropic LC alignment with a high pretilt angle of about 90^o. Good electro-optical characteristics, such as the threshold voltage, response time, voltage holding ratio and residual DC voltage were observed for the LC cells fabricated with the polymer having 100 mol%?of 2-naphthoxymethyl containing monomeric units as an LC alignment layer.     

Synthesis and properties of novel 1,1‐difluoropropoxy‐linked liquid crystalline compounds of negative dielectric anisotropy

A series of liquid crystalline compounds having the difluoropropyleneoxy moiety (–OCF₂C₂H₄–) as a linking group has been synthesized. The physical properties, i.e. dielectric anisotropy, birefringence, viscosity and phase transition temperatures, have been measured. This novel class of compounds shows a larger negative dielectric anisotropy than the corresponding compounds having a propyleneoxy (–OC₃H₆–) linking group. Their dielectric properties may be explained by the combined effect of fluorine atoms with large electron negativities and the electron donating feature of an oxygen atom substituted on the same carbon atom. The semi‐empirical quantum calculation method (AM1) also confirmed this dielectric behaviour of the difluoropropyleneoxy linkage group.