3-[5-(α-萘)-2H-四唑-2-甲撐-4-苯基-1,2,4-三唑啉-5-硫酮13C-NMR的研究

本文研究了5-(α-萘)-四唑(Ⅱ),5-(α-萘)-2H-四唑-2-乙酸甲酯(Ⅲ),5-(α-萘)-2H-四唑-2-乙酰肼(Ⅳ),1-[5-(α-萘)-2H-四唑-2-乙酰]-4-苯基氨基硫脲(V)以及3-[5-(α-萘)-2H-四唑-2-甲撐]-4-苯基-1,2,4-三唑啉-5-硫酮(Ⅵ)的¹³C核磁共振谱和各种¹³C-NMR化学位移。根据化学位移理论、讯号强度以及同模型化合物化学位移的比较,辨认其归属。     

基于分子动力学模拟的主链型液晶聚合物的新模型

在传统的Gay-Berne (GB)/Lennard-Jones (LJ)模型的基础上，发展了一种用于模拟半刚性主链型液晶聚合物(LCP)的分子级模型，命名为Solo-LJ-SP-GB 模型.单一的LJ联合体和非线性弹簧被用于描述LCP分子中的间隔体.用分子动力学模拟半刚性主链型LCP系统(该系统由169条分子链组成，每两个刚性体之间的间隔体个数为6)时，该模型所需的计算时间不到传统的GB/LJ 模型所需时间的十分之一，大大地提高了计算效率.通过采用该模型模拟半刚性主链型LCP的相变问题，观察到了与半刚性主链型LCP分子中间隔体个数相关的热力学的奇偶效应以及从等方相到向列相的相转变过程.这些模拟结果与当前的试验结果相当符合，从而表明了该模型可以较为准确地描述出半刚性主链型LCP的结构特性. 关键词： Solo-LJ-SP-GB模型 液晶聚合物 分子动力学模拟     

Logical moiré and its application

Moiré fringes are generated using logical operations on one-bit binary gratings. A traditional moiré effect is observed using the AND operator while an enhanced moiré is observed using the XOR operation. Since the reference grating in this type of moiré is computer generated, fringe shifting to increase sensitivity can be easily accomplished. An alternative scheme, called the average step method, resulting from the logical operations with values averaged over the pitch of the reference grating, can also be used for fractional fringe-order determination. These principles with some applications are demonstrated in this paper.     

Time-Domain Analysis of Millimeter Wave Circulation Around a Magnetised Ferrite Sphere

An efficient numerical method has been devised for the study of wave circulated by a magnetised ferrite sphere. It is a finite-difference time-domain formulation that incorporates Mur's absorbing boundary conditions and a perfectly matched layer. The electromagnetic fields inside the ferrite body are calculated using special updating equations derived from the equation of motion of the magnetization vector and Maxwell's curl equations in consistency. The electromagnetic fields inside ferrite and the power-density distribution on the ferrite's surface normal to the bias external magnetic field are obtained in a wide frequency band with a single time domain run. It is observed that an incident plane wave would circulate around the magnetised ferrite body in an open space as if the ferrite were placed inside a waveguide / microstrip junction circulators.     

Quasiclassical expansion of Yang-Mills heat kernels and approximate calculation of functional determinants

We find next-to-leading coefficients in the expansion of Sp exp(−tK) in powers of proper time t, where K is the differential operator for the gluon, ghost or fermion in a background Yang-Mills field. This expansion provides a possibility of estimating functional determinants in arbitrary background fields. For example, for the instanton background our very simple method gives the value of the determinants with an accuracy of a few percent, as compared to the labourious exact calculation.     

Luminance and brightness field distribution of light guiding plate for backlight panel (BLP) by micro molding

This research investigates the luminance and the brightness field distribution of the microstructure of a light guiding plate (LGP) by micro injection molding (MIM) and micro injection‐compression molding (MICM). The process of manufacturing a LGP includes photo‐etching, MIM, MICM, and optical field measurement. The results show that the luminance of microstructure of LGPs produced using MICM is better than those made using MIM. The results also indicate that the most important processing parameter is the mold temperature for the luminance distribution of the LGP whether made by MIM or MICM. The maximum luminance of the LGP is 80 Nit (cd/m²) on micro molding. The brightness field distribution of the LGP made using MICM is more uniform than those made using MIM for the same processing parameters. MICM is a more suitable process than MIM for the fabrication of a LGP on a backlight panel (BLP). Copyright © 2008 John Wiley & Sons, Ltd.     

Microcalorimetrics studies of the thermodynamics and binding mechanism between L-tyrosinamide and aptamer

In recent years, several high-resolution structures of aptamer complexes have shed light on the binding mode and recognition principles of aptamer complex interactions. In some cases, however, the aptamer complex binding behavior and mechanism are not clearly understood, especially with the absence of structural information. In this study, it was demonstrated that isothermal titration calorimetry (ITC) and circular dichroism (CD) were useful tools for studying the fundamental binding mechanism between a DNA aptamer and L-tyrosinamide (L-TyrNH2). To gain further insight into this behavior, thermodynamic and conformational measurements under different parameters such as salt concentration, temperature, pH value, analogue of L-TyrNH2, and metal ion were carried out. The thermodynamic signature along with the coupled CD spectral change suggest that this binding behavior is an enthalpy-driven process, and the aptamer has a conformational change from B-form to A-form. The results showed that the interaction is an induced fit binding, and the driving forces in this binding behavior may include electrostatic interactions, hydrophobic effects, hydrogen bonding, and the binding-linked protonation process. The amide group and phenolic hydroxyl group of the L-TyrNH2 play a vital role in this binding mechanism. In addition, it should be noted that Mg(2+) not only improves binding affinity but also helps change the structure of the DNA aptamer.     

Efficient Synthesis of 4,5‐Disubstituted‐3‐Toluenesulfonyl Glutarimides. Application to the Formal Synthesis of Mappicine Ketone

Various 4,5‐disubstituted‐3‐sulfonyl glutarimides 3 were synthesized from α‐sulfonyl acetamide 1 and ethyl α,β‐disubstituted acrylate esters 2 via stepwise facile [3+3] annulation in moderate yield. The synthesis of pyridin‐2‐one 9 , a key intermediate for mappicine ketone ( 4 ) synthesis, was also reported.     

High-affinity sulfonated materials with transition metal counterions for enhanced protein separation in dual-layer hollow fiber membrane chromatography

High-affinity membrane materials have been successfully synthesized through a combination of the polymer sulfonation reaction with transition metal counterion exchange treatment. This type of promising materials were embodied for the first time with the aid of dual-layer hollow fiber technology for protein separation. Three types of immobilized metal affinity membranes (Cu(2+), Ni(2+) and Zn(2+) forms) were developed in this work and they all exhibited enhanced protein separation performance compared to the as-spun hollow fiber in H(+) form due to the strong affinity between transition metal counterions and target protein molecules. Ultimately, the high-purity target protein (>99%, w/w) could be achieved via the membrane in Cu(2+) form.