ZnSe掺Cu与Zn空位缺陷的稳定性、电子结构与光学性质

采用基于密度泛函理论框架下的第一性原理平面波超软雁势方法, 对ZnSe闪锌矿结构本体、掺入p型杂质Cu(Zn_0.875Cu_0.125Se)及Zn空位(Zn_0.875Se)超晶胞进行结构优化处理. 计算并详细分析了缺陷体系的形成能和三种体系下ZnSe材料的态密度、能带结构、集居数、介电和吸收光谱. 结果表明: 在Zn空位与Cu掺杂ZnSe体系中, 由于空位及杂质能级的引入, 禁带宽度有所减小, 吸收光谱产生红移; 单空位缺陷结构不易形成, Zn_0.875Se结构不稳定, Cu掺杂ZnSe结构相对更稳定.     

工业色谱法分离制备7-木糖基-10-去乙酰紫杉醇酶解产物10-去乙酰紫杉醇

基于工业色谱法分离制备抗癌药物紫杉醇的半合成前体10-去乙酰紫杉醇(10-DAP)。7-木糖基-10-去乙酰紫杉醇(10-DAXP)在我国特有红豆杉品系(中华红豆杉)枝叶中含量丰富,以其为原料可制备紫杉醇最理想的半合成前体——10-DAP。本研究以部分纯化后的7-木糖基-10-去乙酰紫杉烷为原料,通过β-木糖苷酶水解该粗提物中的主要成分10-DAXP及其两个微量类似物7-木糖基-10-去乙酰三尖杉宁碱(10-DAXC)和7-木糖基-10-去乙酰紫杉醇C(10-DAXP C),脱去其C-7位上的木糖基,水解产物采用大孔吸附树脂吸附,正相快速柱分离和反相制备色谱分离,可获得高纯度的目标物10-DAP,产物纯度为96%,整个工艺的收率大于75%。该方法适合以10-DAXP为原料大规模制备紫杉醇的半合成前体化合物10-DAP,为工业化生产紫杉醇开辟了一条新途径。     

发射光谱研究多针对板电晕放电O活性原子特性

利用发射光谱技术在大气压下测量了空气中多针对板负直流电晕放电和正电晕流光放电产生的O(3p5 P→3s 5 S02777.4nm)活性原子发射光谱。在负电晕放电中,研究了放电功率、电极间距、N2含量和相对湿度等因素对O活性原子产生过程的影响;在正电晕流光放电阶段,研究了O活性原子相对密度在放电反应空间的分布特点。结果表明:O活性原子产量随放电功率的增加而增大,随电极间距增大而减少,随相对湿度和氮气含量的增加,其产量先增大后减少;O活性原子相对密度沿针尖轴向呈先增大后减小的趋势。     

Anisotropic isoparametric hypersurfaces in Euclidean spaces

In this paper, by Nomizu’s method and some technical treatment of the asymmetry of the F-Weingarten operator, we obtain a classification of complete anisotropic isoparametric hypersurfaces, i.e., hypersurfaces with constant anisotropic principal curvatures, in Euclidean spaces, which is a generalization of the classical case for isoparametric hypersurfaces in Euclidean spaces. On the other hand, by an example of local anisotropic isoparametric surface constructed by B. Palmer, we find that in general anisotropic isoparametric hypersurfaces have both local and global aspects as in the theory of proper Dupin hypersurfaces, which differs from classical isoparametric hypersurfaces.     

Optimal constant weight covering codes and nonuniform group divisible 3-designs with block size four

Let K _q (n, w, t, d) be the minimum size of a code over Z _q of length n, constant weight w, such that every word with weight t is within Hamming distance d of at least one codeword. In this article, we determine K _q (n, 4, 3, 1) for all n ≥ 4, q = 3, 4 or q = 2 ^m  + 1 with m ≥ 2, leaving the only case (q, n) = (3, 5) in doubt. Our construction method is mainly based on the auxiliary designs, H-frames, which play a crucial role in the recursive constructions of group divisible 3-designs similar to that of candelabra systems in the constructions of 3-wise balanced designs. As an application of this approach, several new infinite classes of nonuniform group divisible 3-designs with block size four are also constructed.     

Synthesis of three novel anionic gemini surfactants and comparative studies of their assemble behavior in the presence of bovine serum albumin

Three novel anionic sulfonate gemini surfactants, sodium 4,4'-(10,19-dioxo-9,11,18,20-tetraazaoctacosane-9,20-diyl) dibenzenesulfonate (Surfactant I), sodium 4,4'-(12,21-dioxo-11,13,20,22-tetraazadotriacontane-11,22-diyl) dibenzenesulfonate (Surfactant II), and sodium 4,4'-(14,23-dioxo-13,15,22,24-tetraazahezatriacontane-13,24-diyl) dibenzenesulfonate (Surfactant III), with different lengths of hydrophobic tail have been synthesized, and their assembly behavior in the presence of bovine serum albumin (BSA) has been studied using spectral methods and molecular modeling methods at physiological pH and 298 K. Critical micelle concentrations (CMCs) of the three surfactants have been determined by surface tension measurements. Despite the obvious decrease of CMC with the increase of tail length, fluorescence spectra have shown much closer CAC in the presence of BSA. Surfactant II shows the highest CAC of 3.19 × 10(-5) mol L(-1) compared with the other two. The polarity of the microenvironment in BSA-surfactant systems has been investigated using pyrene as the probe. In addition, far-UV CD spectra studied the change of the secondary structure content of BSA caused by the three surfactants. The features of the assembly behavior were discussed by three concentration regions. Surfactant II could unfold the protein much more efficiently than the other two surfactants at low concentration, but at high concentration, the change of the secondary structure and the formation of hydrophobic microenvironment show a direct relationship to the length of the hydrophobic tail with the increase of the surfactant concentration.     

Fabrication and morphology of spongelike polymer material based on cross-linked sulfonated polystyrene particles

A novel spongelike polymer material has been fabricated by γ-ray induced polymerization of methylmethacrylate (MMA) in an emulsion containing cross-linked sulfonated polystyrene (CSP) particles. Scanning electron microscopy (SEM) images reveal that the spongelike structure is made up of interlinked nanosized PMMA particles with micrometer-sized CSP-PMMA particles embedded inside. The nitrogen adsorption isotherm discloses that the spongelike material has a high specific surface area of 29 m(2)/g and a narrow pore size distribution of 60-120 nm. The formation mechanism is discussed in this paper, which indicates that the key steps to form the spongelike material include a Pickering emulsion stabilized by the CSP particles, followed by the swelling process of MMA into these particles. This approach offers a more convenient alternative to prepare polymeric spongelike material without any etching procedure.     

A novel approach for preparation of “cage-like” multihollow polymer microspheres through sulfonated polystyrene particles

A new and effective process has been developed for fabrication of novel cage-like multihollow polymer particles by using sulfonated polystyrene (SP) particles as the templates, with heptane as the phase separation agent, in an ethanol/water medium. The ratio of water/ethanol and the heating temperature play important roles in the formation of these multihollow particles. It was found that the cage-like polymer particles could be obtained when the ratio of ethanol/water is 5:5 (w/w), with a temperature above 50?°C. After a detailed study, the formation mechanism was proposed based on an SP swollen (ethanol and heptane penetrating process) and phase separation process. This new method for fabricating the cage-like multihollow polymer particles has a great meaning not only on confirming the formation mechanism, but also on providing an effective way to prepare the special hollow core/porous shell polymer particles, which could have wide range of potential applications, such as catalysts, sensors, and drug release.     

Langford系统Hopf分岔极限环幅值控制

系统地研究了Langford 系统Hopf分岔极限环幅值非线性反馈控制问题.根据中心流形定理和规范型降维理论, 推导含控制增益项的非线性曲率系数控制公式和幅值近似解,通过数值仿真验证并绘制极限环幅控关系曲线. 所推导的控制公式为Langford 系统极限环幅值控制提供了方便有效的控制方法.