A Quantum Chemical Study on Recognition of Nitro-phenols by Calix[n]arenes

A PM3 calculation in vacuum of the inclusion complexation ofo-, m-, p-nitro-phenol with calix[n]arenes is performedsuccessfully. The pathways for inclusion process are describedand the most probable structures of the 1:1 complex are soughtthrough a potential energy scan. The energy differences betweenthe inclusion complexes and the hosts, by calculation, show thatthe most stable complexation is calix[4]-p-nitro phenol andcalix[6]-m-nitro phenol.     

Pressure and temperature dependence of the gas‐transport properties of dense poly[2,6‐toluene‐2,2‐bis(3,4‐dicarboxylphenyl)hexafluoropropane diimide] membranes

The gas‐transport properties of poly[2,6‐toluene‐2,2‐bis(3,4‐dicarboxylphenyl)hexafluoropropane diimide] (6FDA‐2,6‐DAT) have been investigated. The sorption behavior of dense 6FDA‐2,6‐DAT membranes is well described by the dual‐mode sorption model and has certain relationships with the critical temperatures of the penetrants. The solubility coefficient decreases with an increase in either the pressure or temperature. The temperature dependence of the diffusivity coefficient increases with an increase in the penetrant size, as the order of the activation energy for the diffusion jump is CH₄ > N₂ > O₂ > CO₂. Also, the average diffusion coefficient increases with increasing pressure for all the gases tested. As a combined contribution from sorption and diffusion, permeability decreases with increases in the pressure and the kinetic diameter of the penetrant molecules. Even up to 32.7 atm, no plasticization phenomenon can be observed on flat dense 6FDA‐2,6‐DAT membranes from their permeability–pressure curves. However, just as for other gases, the absolute value of the heat of sorption of CO₂ decreases with increasing pressure at a low‐pressure range, but the trend changes when the feed pressure is greater than 10 atm. This implies that CO₂‐induced plasticization may occur and reduce the positive enthalpy required to create a site into which a penetrant can be sorbed. Therefore, a better diagnosis of the inherent threshold pressure for the plasticization of a glassy polymer membrane may involve examining the absolute value of the heat of sorption as a function of pressure and identifying the turning point at which the gradient of the absolute value of the heat of sorption against pressure turns from a negative value to a positive one. © 2003 Wiley Periodicals, Inc. J Polym Sci Part B: Polym Phys 42: 354–364, 2004     

Estimation of kinetics parameters for the adsorption of human serum albumin onto hydroxyapatite-modified silver electrodes by piezoelectric quartz crystal impedance analysis.

The adsorption of human serum albumin onto hydroxyapatite-modified silver electrodes has been in situ investigated by utilizing the piezoelectric quartz crystal impedance technique. The changes of equivalent circuit parameters were used to interpret the adsorption process. A kinetic model of two consecutive steps was derived to describe the process and compared with a first-order kinetic model by using residual analysis. The experimental data of frequency shift fitted to the model and kinetics parameters, k1, k2, psi1, psi2 and qr, were obtained. All fitted results were in reasonable agreement with the corresponding experimental results. Two adsorption constants (7.19 kJ mol(-1) and 22.89 kJ mol(-1)) were calculated according to the Arrhenius formula.     

螺旋线径向挤压变形对其慢波结构冷测特性的影响

 介绍了用MAFIA软件的准周期边界条件计算螺旋线行波管慢波结构的色散和耦合阻抗，以及用ANSYS软件对螺旋线径向挤压变形建模的方法，并对螺旋线受挤压径向变形对其冷测特性的影响进行了详细的分析。结果表明:螺旋线径向挤压变形会导致相速增大，而在通常的变形范围内耦合阻抗也会增加；当变形继续增大时耦合阻抗上升到最大值后开始下降。     

激光限制结晶技术制备nc-Si/SiO2多层膜

在等离子体增强化学气相淀积系统中，采用aSi:H层淀积和原位等离子体氧化相结合的逐层生长技术制备了aSi:H/SiO_2多层膜.在激光诱导限制结晶原理基础上，使用KrF准分子脉冲激光为辐照源，对aSi:H/SiO_2多层膜进行辐照，使纳米级厚度的aSi:H子层晶化.Raman散射谱和电子衍射谱的结果表明，经过激光辐照后纳米Si颗粒在原始的aSi:H子层内形成，晶粒尺寸可以根据aSi:H层的厚度精确控制.还研究了样品的光致发光（PL）特性以及激光辐照能量密度对PL性质的影响. 关键词： 脉冲激光 多层膜 限制结晶     

利用爆磁压缩发生器产生高功率脉冲高电压

 爆磁压缩发生器产生脉冲高电压技术可以用于产生高功率微波及强电磁脉冲的实验研究。给出了利用螺旋型爆磁压缩发生器（HEMG）驱动电爆炸丝功率调节系统产生高功率脉冲高电压的实验方法和主要的结果。在利用HEMG驱动电爆炸丝断路开关（EEOS）产生脉冲高电压实验中，获得了最高电压700~800kV,功率大于20GW的脉冲输出。     

The Research on Polymer Microcapsulation for Cell Technology

Microcapsulation is a technology that enwrapped the solid or liquid or some gas matter with membrane materials to form microparticles(i.e.microcapsules). The materials of microcapsule is composed of naturnal polymers or modified naturnal polymers or synthesized polymers. The water-soluble core matter can only use oil-soluble wall materials, and vice versa.Synthesized methods of polymer microcapsulesSynthesized methods with monomers as raw materialsThis kind of methods include suspension polymerization, emulsion polymerization, dispersal polymerization, precipitation polymerization,suspension condensation polymerization, dispersal condensation polymerization, deposition condensation polymerization, interface condensation polymerization, and so on.Synthesized methods with polymers as raw materialsThese methods are suspension cross-linked polymerization, coacervation phase separation,extraction with solvent evaporation, polymer deposition, polymer chelation, polymer gel,solidification of melting polymer, tray-painted ways, fluidized bed ways, and so forth.Polymer materials to synthesize microcapsules2.1. Naturnal polymer materialsThe characteristics of this kind of materials are easy to form membrane, good stability and no toxicity. The polymer materials include lipids(liposome), amyloses, proteins, plant gels, waxes, etc.2.2. Modified polymer materialsThe characteristics of these materials are little toxicity, high viscidity(viscosity), soluble salt materials. But they cannot be used in water, acidic environment and high temperature environment for a long time. The materials include all kind of derivants of celluloses.2.3. Synthesized polymer materialsThe characteristics of the materials are easy to form membrane, good stability and adjustment of membrane properties. The synthesized polymer materials include degradable polymers(PLA, PGA,PLGA, PCL, PHB, PHV, PHA, PEG, PPG and the like) and indegradable polymers(PA, PMMA,PAM, PS, PVC, PB, PE, PU, PUA, PVA and otherwise).The applications of polymer microcapsules in cell technologyThe "artificial cell" is the biological active microcapsule used in biological and medical fields.The applications of cells (including transgenic cells, the same as artificial cells) technology include several aspects as follows:3.1. Microcapsulation of artificial red cell3.2. Microcapsule of artificial cell of biological enzyme3.3. Microcapsule of artificial cell of magnetic material3.4. Microcapsule of artificial cell of active carbon3.5. Microcapsule of active biological cell     

Regioselective Synthesis of Multi-substituted Phenylselenomethyl Isoxazolines

A mild, regioselective 1, 3-dipolar cycloaddition protocol for the preparation ofphenylselenomethyl isoxazolines through substituted allyl phenyl selenides and nitrile oxides wasreported.     

Isolation of 2-Chloro-5-methylpyridine from its Isomer 2-Chloro-3-methylpyridine by Formation of its Copper(II) Complex

2-Chloro-5-methylpyridine is an important intermediate for the preparation of biological active compounds, especially insecticides1, e.g. imidacloprid2, and is usually manufac- tured from 3-methylpyridine N-oxide. However, the manufacturing process also forms the by-products: 3-methylpyridine and its isomer 2-chloro-3-methylpyridine3. The pro- perties of the isomers are similar, it is difficult to separate by ordinary methods, such as distillation. Scheme 1 79.4%13.6%5.2%NClCH3NCH3ClNC…     

Synthesis and Photocytotoxicity of Mono-functionalised Porphyrin with Valine Moiety

A mono-funtionalised tetraphenylporphyrin (TPP) bearing valine moiety at the phenyl ring was synthesized for photocytotoxicity examination in four steps, starting from regiospecific mono-nitration of TPP at the phenyl ring. The in vitro photocytotoxicitic effect against SPC-Al adenocarcinona cell line was tested.