Theory and simulation of electrolyte mixtures

Monte Carlo simulation and theoretical results on some aspects of thermodynamics of mixtures of electrolytes with a common species are presented. Both charge symmetric mixtures, where ions differ only in size, and charge asymmetric but size symmetric mixtures at ionic strength ranging generally from I = 10^?4 to 1.0 M, and in a few cases up to I = 2 M, are examined. The theoretical methods explored are: (i) the symmetric Poisson-Boltzmann theory, (ii) the modified Poisson-Boltzmann theory and (iii) the hypernetted-chain integral equation. The first two electrolyte mixing coefficients w ₀ and w ₁ of the various mixtures are calculated from an accurate determination of their osmotic pressure data. The theories are seen to be consistent among themselves, and with certain limiting laws in the literature, in predicting the trends of the mixing coefficients with respect to ionic strength. Some selected relevant experimental data have been analysed and compared with the theoretical and simulation trends. In addition the mean activity coefficients for a model mimicking the mixture of KC1 and KF electrolytes are calculated and hence the Harned coefficients obtained for this system. These calculations are compared with the experimental data and Monte Carlo results available in the literature. The theoretically predicted Harned coefficients are in good agreement with the simulation results for the model KC1-KF mixture.     

Preparation of a Hybrid Organic-inorganic Monolith for Extraction and Purification of Quercetin and Myricetin from Chamaecyparis obtusa

A new hybrid organic-inorganic monolithic cartridge was synthesized and used as the selective sorbent for the extraction and purification of quercetin and myricetin from Chamaecyparis obtusa via a solid-phase extraction method.The morphology of the monolithic material was examined by field emission-scanning electron microscopy and a Brunauer-Emmett-Teller（BET） test.The adsorption capacity of the obtained material for quercetin and myricetin was investigated by fitting the adsorption data to four different adsorption equations,of which the LangmuirFreundlich isotherm was selected as the most suitable model.Under optimized conditions,good calibration curves were observed at nine concentrations ranged from 0.5 μg/mL to 100.0 μg/mL of quercetin and myricetin.The extraction recovery ranged from 74.5％ to 84.6％ and the inter-and intra-day relative standard deviations were ＜6％.This type of hybrid monolith has potential for the separation and purification of bioactive compounds from natural plant extracts.     

Novel PLGA Microspheres for Sustained Delivery of Antisense Oligonucleotide

Novel poly(lactide-co-glycolide acid)(PLGA) microspheres were developed for sustained delivery of antisense oligonucleotide(ASO). First, a new cationic agent, polyethylenimine(PEI) conjugated to linoleic acid(LA)(PEI-LA) was synthesized by reacting PEI(M_w=800) with linoleoyl chloride. Then, PEI-LA was combined with LOR-2501 to form electrostatic complexes at moderate nitrogen-to-phosphate(N/P) molar ratios which were then encapsulated into poly(lactide-co-glycolide) microspheres by a multiple emulsion-solvent evaporation technique. With an increase in ASO/PEI-LA concentration from 5% to 10%, encapsulation efficiency of ASO in the microspheres reduced from 72.14% to 57.62%, and the particle size of microspheres increased from 28.58 μm to 34.76 μm. In vitro studies show that the release profile of ASO from microspheres prepared at 7.5% ASO-PEI-LA lasted for 14 d. The novel microspheres have a potential use as a sustained release vehicle for ASO.     

Development of an Artificial Compressibility Methodology with Implicit LU-SGS Method

A numerical method has been developed to solve the steady and unsteady incompressible Navier-Stokes equations in a two-dimensional, curvilinear coordinate system. The solution procedure is based on the method of artificial compressibility and uses a third-order flux-difference splitting upwind differencing scheme for convective terms and second-order center difference for viscous terms. A time-accurate scheme for unsteady incompressible flows is achieved by using an implicit real time discretization and a dual-time approach, which introduces pseudo-unsteady terms into both the mass conservation equation and momentum equations. An efficient fully implicit algorithm LU-SGS, which was originally derived for the compressible Eulur and Navier-Stokes equations by Jameson and Toon [1], is developed for the pseudo-compressibility formulation of the two dimensional incompressible Navier-Stokes equations for both steady and unsteady flows. A variety of computed results are presented to validate the present scheme. Numerical solutions for steady flow in a square lid-driven cavity and over a backward facing step and for unsteady flow in a square driven cavity with an oscillating lid and in a circular tube with a smooth expansion are respectively presented and compared with experimental data or other numerical results.     

Investigation of Breaking Efficiency of N-Glycosidic Bond Between Sulfonamide and Honey

Sulfonamide residue in honey existed in a form bonded to sugar via the N-glycosidic bond.It would result in the possible underestimation of concentration of sulfonamide if it is not decomposed by chemi...     

气相色谱法在中草药及其制剂中痕量有机氯类农药残留分析上的应用进展

综述了中草药及其制剂中有饥氯类农药残留的气相色谱分析技术．包括样品前处理方法,气相色谱分离分析及确证鉴定技术．对近几年来该领域研究进展进行了总结和讨沦。     

Highly Concise Synthesis of 3'-"Up"-ethynyl-5'-methylbicyclo-[3.1.0]-hexyl Purine and Pyrimidine Nucleoside Derivatives Using Rhodium(II) Carbenoid Cycloaddition and Highly Diastereoselective Grignard Reaction

Synthesis of north‐5'‐methylbicyclo[3.1.0]hexyl purine and pyrimidine nucleosides with an ethynyl group at C‐3' position has been successfully accomplished by a facile method. Methylbicyclo[3.1.0]hexanone (±)‐ 5 having three contiguous chiral centers was remarkably simply constructed only by four steps containing a carbenoid insertion reaction in the presence of rhodium(II) acetate dimer and CuSO₄, giving a correct relative stereochemistry of the generated three chiral centers. Upon Grignard reaction of (±)‐ 5 with ethynylmagnesium bromide, exclusive diastereoselectivity was observed. Condensation of glycosyl donor (±)‐ 9 with purine nucleobase afforded only the desired N⁹‐alkylated nucleoside, while condensation with pyrimidine, N³‐benzoylated uracil gave the desired N¹‐alkylated nucleoside (±)‐ 13 with the undesired O²‐alkylated nucleoside (±)‐ 14 . Probably, (±)‐ 14 would be formed due to steric hindrance caused upon approaching for N¹‐alkylation.     

Propylene Polymerization by TiCl_4 Supported on Mg(OEt)_2 Activating with Ethanol/CO_2 System

For the preparation of high-active and high-isospecific catalysts for propylenepolymerization,various supports such as Mg-alkyls[1 ] ,Mg( OH) 2 [2 ] ,Mg O[3] ,Mg Cl2 [4] .Grignard compounds[5] ,or magnesium alkoxide[6] had been used.Lately,Mg( OEt) 2 -supported Ti Cl4catalysts including an organic chloride and/ or an internal donor preparedby physical milling method and chemical reaction method were studied and it was foundthat Mg( OEt) 2 is converted to Mg Cl2 by reaction with Ti Cl4a…     

应用ICP消解氟里昂的优越性及其处理效率的初步研究

讨论了应用高频电感耦合等离子体(ICP)消解氟里昂类废弃物的可行性及与国际先进技术的比较;应用低功率ICP系统进行氟里昂12的模拟消解,用GC-ECD方法对尾气中的残余成分和浓度进行分析,证明该系统对氟里昂12的处理效率高于99.9%,可以发展成为未来环保废物处理领域的一项新技术。