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。     

多组分间歇精馏工艺计算探讨

介绍用“微元时段”计算多组分间歇精馏的方法。     

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.     

精馏塔静态仿真：Ⅰ.静动态混合数学模型的应用

本文为了克服精馏塔静态仿真不易收敛和初值难以给定等难题，巧妙地利用隐含数值积分方法的特点，将稳态与动态数学模型耦合起来，用以求解高难度的非理想精馏塔静态仿真问题。所得静动态混俣模型大大提高了精馏塔静态仿真的鲁棒性，对于高度非理想精馏塔的仿真尤为有效。通过对某丙烯腈萃取精馏塔的静态仿真，充分证明了这种混合模型化方法的可行性。     

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.