Twist-grain boundary phase induced by Au nanoparticles in a chiral liquid crystal host

We report on the stabilisation of the liquid-crystalline, twist-grain boundary A (TGB_A) phase in mixtures of a chiral liquid crystal and surface-functionalised spherical Au nanoparticles (NPs) of 10 nm diameter. The results, obtained by calorimetric, optical, small-angle X-ray and plasmon resonance measurements, demonstrate that a TGB_A phase, which is metastable for the pure liquid crystal host, can be effectively stabilised for a 3 K range in the presence of NPs. Moreover, the role of NPs size on the TGB_A stabilisation is briefly discussed.     

An improved method of characterizing fatty acids by equivalent chain length values

A method has been developed for calculating more accurate and reproducible equivalent chain length (ECL) values of 33 straight-chain fatty acids (FA), with various positions and numbers of cis double bonds, chromatographed on DB-Wax and DB-1 columns. The dependence of ECL values on the position and the number of double bonds is described, as is a method of utilizing these relationships for the characterization of FA by gas chromatography.     

Determination of pKa values of tenoxicam from H NMR chemical shifts and of oxicams from electrophoretic mobilities (CZE) with the aid of programs SQUAD and HYPNMR

In this work it is explained, by the first time, the application of programs SQUAD and HYPNMR to refine equilibrium constant values through the fit of electrophoretic mobilities determined by capillary zone electrophoresis experiments, due to the mathematical isomorphism of UV-vis absorptivity coefficients, NMR chemical shifts and electrophoretic mobilities as a function of pH. Then, the pK_a values of tenoxicam in H₂O/DMSO 1:4 (v/v) have been obtained from ¹H NMR chemical shifts, as well as of oxicams in aqueous solution from electrophoretic mobilities determined by CZE, at 25 °C. These values are in very good agreement with those reported by spectrophotometric and potentiometric measurements.     

Construction and development of a new single-column simulated moving bed system on the laboratory scale

Simulated moving bed (SMB) chromatography combines high productivity and high purities with reduced buffer consumption. We have developed a laboratory scale single column SMB (SC-SMB) unit with all four separation zones in one column. Distributors embedded within the chromatographic medium allow introduction and withdrawal of liquid between the zones. This single column unit exhibits homogenous packing in all zones, reduced headspace, less complex tubing, fewer valves, and almost undisturbed plug flow between the separation zones. The separation performance of the column was investigated with two different binary model mixtures. Furthermore, the SC-SMB unit is operated with a modified AKTA Explorer workstation, which has been specifically developed for the handling of biological fluids.     

B和N原子掺杂超长(3,3)单壁碳纳米管的从头算研究

用从头算的周期边界条件方法,建立了(3,3)型超长单壁碳纳米管的新模型.使用B3LYP/3-21G方法计算了B和N掺杂纳米管的结构参数、掺杂能量、能带结构以及能隙.研究表明,B和N原子掺杂的(3,3)型单壁碳纳米管具有直接带隙半导体特征,其α轨道计算所得能隙值分别为1.797和2.041 eV.     

不同孪晶界密度银纳米线拉伸形变行为的分子动力学模拟

采用分子动力学方法模拟了不同孪晶界密度银纳米线的拉伸形变行为, 分析了孪晶界密度对多晶银纳米线屈服强度、弹性模量和塑性变形机理的影响. 在弹性形变区域, 孪晶界的存在对杨氏模量变化的作用不明显. 在塑性形变阶段, 首先从表面边缘开始产生位错成核, 然后延伸并受阻于孪晶界. 在进一步拉伸载荷作用下, 孪晶界将作为位错源产生新的位错. 模拟结果表明, 银纳米线的强度与孪晶界和晶粒的尺寸有关. 孪晶界密度较小(即晶粒的长径比大于1)时, 此纳米线的屈服应力比单晶纳米线还要小, 只有当孪晶界密度较大时(即晶粒的长径比小于1), 孪晶界使得纳米线得到强化. 综合分析了孪晶界和晶粒尺寸对银纳米线的影响, 为构建高强度金属纳米线打下基础. 最后讨论了温度和拉伸速度对孪晶纳米线屈服应力所产生的影响, 随着温度的升高, 孪晶纳米线与单晶纳米线的屈服应力差先升高后趋于稳定; 当拉伸速度逐渐增大, 孪晶纳米线与单晶纳米线的屈服应力差先稳定后增大.     

Optimization of simulated moving bed chromatography with fractionation and feedback: Part II. Fractionation of both outlets

A new improvement based on outlet fractionation and feedback has been developed for simulated moving bed (SMB) chromatography. In this contribution, this fractionation and feedback SMB (FF-SMB) concept is extended to the general scenario which integrates a simultaneous fractionation of both outlet streams. A model-based optimization approach, previously adopted to investigate single fractionation, is extended to consider this flexible fractionation policy. Quantitative optimization studies based on a specific separation problem reveal that the double fractionation is the most efficient operating scheme in terms of maximum feed throughput, while the two existing single fractionation modes discussed in our previous study are also significantly superior to the conventional SMB operation. The advantages of the double fractionation extension are further demonstrated in terms of several more detailed performance criteria. In order to evaluate the applicability of the fractionation and feedback modification, the effect of product purity, adsorption selectivity, column efficiency and column number on the relative potential of FF-SMB over SMB is examined.     

Micro-thermal analysis of thermal conductance distribution in advanced silicon nitrides

A micro-thermal analysis technique was applied to investigate advanced silicon nitride materials, which exhibit high thermal conductivity. Local thermal properties in the microstructure were evaluated, and the grain boundaries were observed to have lower thermal conductance than the Si₃N₄ grains. It was found that thermal conductance both in the grains and boundaries was lowered by the addition of the sintering aid Al₂O₃, which is soluble in Si₃N₄ grains. This indicates that high thermal conductivity in silicon nitride ceramics is achieved both by grain growth, leading to a reduction in boundary density, and by eliminating soluble elements in silicon nitride grains. This revised version was published online in August 2006 with corrections to the Cover Date.