Direct Methods Optimised for Solving Crystal Structure by Powder Diffraction Data: Limits,Strategies, and Prospects

The ab-initio crystal structure solution by powder diffraction data requires great efforts because of the collapse of the experimental information onto the one dimensional 2θ axis of the pattern. Different strategies will be described aiming at improving the process of extraction of the integrated intensities from the experimental pattern in order to make more straightforward the structure solution process by direct methods. Particular attention will be devoted to the EXPO program. Some of its performance will be analysed and results will be shown.     

非AWGN环境下调制类型自动识别

在非AWGN环境下，针对CW，AM，FM，OOK，PSK，QPSK，16QAM，FSK，MSK，SSB十种混合调制信号，对调制类型特征提取方法和自动识别算法进行了分析、综合、设计和计算机仿真。提出了梯层电平分析方法、频率瞬时信号分析、剔除载波的归一化能量分析、平方后信号的频谱分析、四次方后的信号频谱分析等方法。当SNR=10dB时，计算机仿真结果是正确识别率不低于95％，自动识别的平均处理时间为不超过10s。     

基于移动端多天线系统的无线衰落信道模型

根据当前无线移动通信对多天线移动接收端性能仿真的要求，讨论并建立了适于空时信号处理的移动端矢量信道模型。通过分析无线移动信道特点。研究了影响接收信号幅度相位的诸多因素，建立了相应的数学模型。并对随机参数选取进行了探讨。其中考虑到移动端接收信号到达角扩散的特点，采用GBSB椭圆模型产生了适于移动端接收信号仿真的随机角度，改进了一种瑞利衰落生成算法。最后信道的数值仿真结果符合理论和经验。同时，通过TD-SCDMA系统链路级仿真，也证明了该信道模型的有效性。     

CIMS中零件加工特征分类研究

根据某大型制造企业的实际情况，阐述了定义加工特征的依据，给出了零件加工特征的定义及其组成。把加工特征作为对象，提出了分类的原则和面向对象分类方法。对该企业当前生产的零件上所具有的加工特征进行了分类，建立了相应的加工特征对象类树。     

Extraction of penicillin G from simulated media by an emulsion liquid membrane process

The extraction of penicillin G from simulated media was performed by water/oil/water (w/o/w) emulsion liquid membranes (ELMs) and studied under various operational conditions in a batch system. The degree of extraction achieved was between 80% and 95% under specific conditions. A concentration of greater than nine times the initial concentration of penicillin G in the external phase was obtained in the internal phase. The pH of the internal aqueous solution, containing a basic salt, was theoretically calculated on the basis of the amount of penicillin G transported into the internal phase. The calculated results agreed with the experimental data well and were used to select a suitable type and concentration of a basic salt in the internal phase to give a pH within the range 5 to 8 where penicillin G was stable after the termination of extraction. The extraction of penicillin G was successfully performed by the ELM process with sodium carbonate in the internal phase.     

Modelling of the extraction equilibrium of zinc from chloride solutions with tri-n-octylphosphine oxide

The extraction of zinc from chloride solutions with tri-n-octylphosphine oxide (TOPO) dissolved in benzene has been thermodynamically studied based on the law of mass action. A model employing the simplified Pitzer equations for stoichiometric activity coefficient estimations is found to be effective for the explanation and prediction of the distribution data, and the thermodynamic extraction constant is determined as log K_et = 5.16 ± 0.11 at 20°C.     

On the permeation rate of copper extraction through liquid membranes

The understanding of the permeation rate of metal ions through liquid membranes is important for the design of such systems. In this paper, the permeation rates of copper ions through liquid surfactant membranes, including interfacial reaction rates and the diffusion rate of the copper ion, were analyzed using a model based on a mobilized hollow spherical globule configuration. The analysis shows that the extracting reaction is dominant at the external interface of the membrane and the stripping reaction is dominant at the internal interface; this means the reactions at both interfaces are not in equilibrium during the course of extraction. It also shows that the extraction rate, the diffusion rate and the stripping rate are not of equal value, especially at the early stage of the run.     

Solubility of amaranth seed proteins in sodium sulphate and sodium chloride: the main factor in quantitative extraction for analysis

Nitrogen was extracted more efficiently from amaranth seed with 0.04 M Na₂SO₄ (5% w/v) than with either 0.09 M or 0.17 M NaCl (5% or 10% w/v), despite both solutions having the same ionic strength (μ= 1). Solubility of saline soluble proteins (albumin ± globulin) was very poor in either water or 1M NaCl, but increased in 0.4M NaCl at alkaline pH between 7 and 10. Globulins were very soluble in 0.4M NaCl at a pH 9. Albumin was the main storage protein. Saline soluble proteins formed very weak gels.     

Liquid–liquid extraction of a recombinant protein with reverse micelles

Recombinant cytochrome b₅ was extracted into the reversed micelle phase of an anionic surfactant (AOT) in octane and back-extracted to a final aqueous phase. The extraction of the protein was controlled by an electrostatic mechanism, since it was dependent on the global charge of the protein. This was directly demonstrated by experiments with native and mutant cytochromes obtained by site directed mutagenesis. The back-extraction of cytochrome b₅ to a fresh aqueous phase was decreased by factors that reduced the size of the water pool of the organic phase, such as high salt concentrations (1–2 mol dm^?3 NaCl) and low temperatures (4°C), probably because of an increase in a favourable interaction of this protein with the surfactant at closer distances.     

Enantioselective extraction of mandelic acid enantiomers based on chiral ligand exchange

Based on the chiral ligand exchange, the distribution behavior of mandelic acid enantiomers, and the partition of Cu^2 at different pH values were studied in a water/alcohol two-phase system containing Cu^2 and N-ndodecyl-L-proline(A). The influences of the solvent sort, the pH value, the concentrations of Cu^2 and chiral ligand on the partition coefficient(K) and separation factor(α) were discussed. The experimental results show that the A formed has more stable ternary complex with D-mandelic acid enantiomer than with L-mandelic acid enantiomer. There is an important influence of the pH value on K and a. When the pH values are less than 3.5, the formation of binary complexes is thermodynamically unfavourable. K and a become maximum when pH values are above 3.5 and the molar ratio of the chiral ligand to Cu^2 is 2:1.