The kinetics and compartmentalization of seeded emulsion polymerization of styrene with a series of seeds of different size

The Interval II kinetics and compartmentalization effect of emulsion polymerization of styrene with the seeds of five radii (r=40.2, 51.3, 76.5, 99.7 and 252.0 nm) have been studied. The kinetic parameters, i.e., the rate coefficients ρ, K and C which refer, respectively, to the entry of free radicals into latex particles, the exit of free radicals from the particles and the bimolecular termination of free radicals within the particles; n_ss and n_ss(thermal), the average number of free radicals per particle in the steady state and in the thermally induced background polymerization, respectively, are obtained. The propagating rate coefficient k_p, the termination rate coefficient k_t, as far as possible, are calculated in the runs. From this work, it can be concluded that the kinetic behavior, the kinetic parameters and the compartmentalization effect of emulsion polymerization are greatly influenced by the latex particle size.     

Kinetic theory of anionic copolymerization with constant monomer ratio, 2 . Molecular weight distribution

The kinetic differential equations for the anionic copolymerization with constant monomer ratio are treated by Laplace transformation and a graphical technique. A theoretical method is established by which all molecular parameters of the copolymers, such as the molecular distribution (MWD), the average molecular weight and the polydispersity, can be calculated from reaction rate constants, initial conditions and polymerization time. Three-dimensional plots obtained by numerical computation are presented to illustrate the influence of the reaction conditions on the MWD's of the copolymers.     

Syntheses,crystal structures and properties of Cd(II) and Ag(I) complexes based on 2-p-methylphenyl-5-(2-pyridyl)-1,3,4-thiadiazole

Abstract

Complexes of [CdL₂(NO₃)₂]·1.5H₂O and [Ag₂(μ-L)₂(NO₃)₂] were synthesized by the reactions of 2-p-methylphenyl-5-(2-pyridyl)-1,3,4-thiadiazole (L) with Cd(NO₃)₂·4H₂O and AgNO₃, respectively. Their structures were determined by single crystal X-ray diffraction. The photophysical property and thermal stability were characterized by FT???IR, UV???Vis absorption, fluorescence, and thermogravimetric analysis (TGA). Both complexes belong to the triclinic system with space group p???1. The central metal of [CdL₂(NO₃)₂]·1.5H₂O has a distorted octahedral geometry [CdN₄O₂], while two central Ag(I) atoms of [Ag₂(μ-L)₂(NO₃)₂] exhibit distorted tetrahedral geometries [AgN₃O].     

一种基于自适应单元删除率的BESO方法

在ESO中采用动态删除率能有效地提高优化效率和稳定性,但现有的动态删除率策略都含有经验参数,确定删除率的过程较为复杂。本文提出了一种用于BESO的无经验参数自适应单元删除率确定方法。通过分析单元删除率对优化稳定性的影响,得到了结构优化过程中单元删除率的理想变化规律和单元灵敏度均匀化信息对删除率的影响情况,并据此分析了经验参数引入的原因,从而构造了评价单迭代步的单元灵敏度均匀化程度指标。然后,基于单迭代步的单元灵敏度均匀化程度指标,构造了全部迭代步信息下的单元灵敏度均匀化程度相对指标,结合单元删除率的推荐范围值,给出了一种自适应于结构优化进程的单元删除率自适应函数。最后,给出了基于自适应单元删除率的BESO方法实现流程。经典算例的结果对比说明,本文方法在保证优化质量相近的情况下,具有更好的优化效率和稳定性。     

Structure and Processing Properties of Nine Yam (Dioscorea opposita Thunb) Starches from South China: A Comparison Study

In order to explore the processing and application potential of Chinese yam starch, nine kinds of Chinese yam starch (GY11, GY5, GY2, GXPY, LCY, SFY, MPY, SYPY, ASY) from South China were collected and characterized. The chemical composition, rheological properties, thermal properties, and in vitro starch digestion were compared, and the correlation between the structure and processing properties of these yam starches was analyzed using Pearson correlation. The results show that GY2 had the highest amylose content of 28.70%. All the yam starches were similarly elliptical, and all the yam starch gels showed pseudoplastic behavior. Yam starches showed similar pasting temperatures and resistant starch content, but SYPY showed the largest particle size (28.4 μm), SFY showed the highest setback (2712.33 cp), and LCY showed the highest peak viscosity (6145.67 cp) and breakdown (2672.33 cp). In addition, these yam starches also showed different crystal types (A-type, B-type, C-type), relative crystallinity (26.54–31.48%), the ratios of 1045/1022 cm⁻¹ (0.836–1.213), pasting properties, and rheological properties, so the yam starches have different application potentials. The rheological and pasting properties were related to the structural properties of starch, such as DI, Mw, and particle size, and were also closely related to the thermodynamic properties. The appropriate processing methods and purposes of the processed products of these yam starches can be selected according to their characteristics.     

Carbonylative Stille coupling reactions of benzyl chlorides with allyltributylstannane catalyzed by palladium nanoparticles

The carbonylative Stille coupling reaction of benzyl chlorides with allyltributylstannane was successfully conducted by using palladium nanoparticles as the catalyst under phosphine ligand-free conditions. The corresponding α,β-unsaturated ketone products were obtained in good to excellent yields.     

Preparative high-speed counter-current chromatography for purification of shikonin from the Chinese medicinal plant Lithospermum erythrorhizon

The bioactive compound shikonin was successfully isolated and purified from the crude extract of the traditional Chinese medicinal plant Lithospermum erythrorhizon Sieb. et Zucc. by preparative high-speed counter-current chromatography (HSCCC). The preparative HSCCC was performed using a two-phase solvent system composed of n-hexane-ethylacetate-ethanol-water (16:14:14:5 (v/v)). A total amount of 19.6 mg of shikonin at 98.9% purity was obtained from 52 mg of the crude extract (containing 38.9% shikonin) with 96.9% recovery. The preparative isolation and purification of shikonin by HSCCC was completed in 200 min in a one-step separation.     

紫外光照下尿嘧啶在磷酸盐水溶液中的新型光化学反应研究

在中压汞灯光照下,无机磷酸盐能促进尿嘧啶水溶液(pH=8)的光解作用(磷酸盐效应),发生嘧啶碱基的光解取代反应,主要光解产物为6-磷酸基尿嘧啶(C₄H₅N₂O₆P).通过元素分析,UV,IR,EIMS,¹HNMR,¹³CNMR,³¹PNMR等测试手段和方法,确定了光解产物的组成和结构.实验表明,在中压汞灯的发射光谱(连续光谱)中,对磷酸盐效应起作用的波长为190～220nm.     

钙调蛋白抑制剂预测模型研究

选用30个结构多样的caM抑制剂分子作为数据集,采用多元线性回归(MLR)方法及主成分回归分析(PCA)方法对每个化合物的194个分子参数进行回归分析,分别建立了各自的最优预测模型.结果表明:多元线性回归分析方法所建模型与主成分回归所建模型相对比,发现逐步筛选法为最优建模方法?该方法所建模型统计结果良好(R2=0.952,SEE为0.289),应用于检验集时结果也比较令人满意(R2=0.941,SEP为0.295),模型表现出较强的可靠性和预测性.