毛细管电色谱中固定相的选择以及固定相粒度对柱效的影响

研究了以3μm、3μmC8、3μmPH、3μmCN、3μmSi等填充料为填充柱的毛细管电色谱法的对硫脲、苯甲醇、苯甲醛和萘的分离度。结果表明，填充料的粒度越小，柱效越高。     

铂电极B-Z反应系双电层稀疏区电势跃变对电化学振荡的影响

根据连续步骤间非平衡耗散的特征, 定量表示了电化学步骤与扩散步骤的相对滞后性对电极反应体系耗散的贡献, 建立了稀疏区电势跃变ψ的非平衡态热力学计算公式, 给出了其在Boltzman分布近似下的表现形式. 同时, 建立了一个普适的Pt电极B-Z反应动力学模型, 讨论了ψ对电极B-Z反应系状态演化动力学行为的影响, 发现ψ的引入将强化该电极反应体系动力学机制的非线性程度, 导致电化学振荡区的蜕变. 给出了相应的计算机模拟图谱.     

Efficient synthesis of bis-isoxazole ethers via 1,3-dipolar cycloaddition catalysed by Zn/Zn<Superscript>2+</Superscript> and their antifungal activities

An efficient method was developed for synthesising isoxazoles. A series of novel bis-isoxazole ether compounds VI, VII and VIII were synthesised starting from different substituted aldehydes (I) via a 1,3-dispolar cycloaddition using Zn/Zn²⁺ as a catalyst; these were characterised by FT-IR, HRMS, ¹H NMR and ¹³C NMR spectroscopy. In addition, the antimicrobial properties of the synthesised products were investigated. The synthesised compounds exhibited significant antifungal activities in comparison with the standard drugs, fluconazole and itraconazole. It was found that Candida albicans was sensitive to 2-substituted phenyl bis-isoxazole ethers bearing pyridyl.     

Influence of nanomechanical force on the electronic structure of InAs/GaAs quantum dots

We show nanomechanical force is useful to dynamically control the optical response of self-assembled quantum dots, giving a method to shift electron and heavy hole levels, interval of electron and heavy hole energy levels, and the emission wavelength of quantum dots (QDs). The strain, the electron energy levels, and heavy hole energy levels of InAs/GaAs(001) quantum dots with vertical nanomechanical force are investigated. Both the lattice mismatch and nanomechanical force are considered at the same time. The results show that the hydrostatic and the biaxial strains inside the QDs subjected to nanomechanical force vary with nanomechanical force. That gives the control for tailoring band gaps and optical response. Moreover, due to strain-modified energy, the band edge is also influenced by nanomechanical force. The nanomechanical force is shown to influence the band edge. As is well known, the band offset affects the electronic structure, which shows that the nanomechanical force is proven to be useful to tailor the emission wavelength of QDs. Our research helps to better understand how the nanomechanical force can be used to dynamically control the optics of quantum dots.     

Combining the complex variable reproducing kernel particle method and the finite element method for solving transient heat conduction problems

In this paper, the complex variable reproducing kernel particle (CVRKP) method and the finite element (FE) method are combined as the CVRKP-FE method to solve transient heat conduction problems. The CVRKP-FE method not only conveniently imposes the essential boundary conditions, but also exploits the advantages of the individual methods while avoiding their disadvantages, then the computational efficiency is higher. A hybrid approximation function is applied to combine the CVRKP method with the FE method, and the traditional difference method for two-point boundary value problems is selected as the time discretization scheme. The corresponding formulations of the CVRKP-FE method are presented in detail. Several selected numerical examples of the transient heat conduction problems are presented to illustrate the performance of the CVRKP-FE method.     

Analysis of variable coefficient advection-diffusion problems via complex variable reproducing kernel particle method

The complex variable reproducing kernel particle method （CVRKPM） of solving two-dimensional variable coefficient advection-diffusion problems is presented in this paper. The advantage of the CVRKPM is that the shape function of a two-dimensional problem is formed with a one-dimensional basis function. The Galerkin weak form is employed to obtain the discretized system equation, and the penalty method is used to apply the essential boundary conditions. Then the corresponding formulae of the CVRKPM for two-dimensional variable coefficient advection-diffusion problems are obtained. Two numerical examples are given to show that the method in this paper has greater accuracy and computational efficiency than the conventional meshless method such as reproducing the kernel particle method （RKPM） and the element- free Galerkin （EFG） method.     

A modified incremental harmonic balance method for rotary periodic motions

The determination of periodic solutions is an essential step in the study of dynamic systems. If some of the generalized coordinates describing the configuration of a system are angular positions relative to certain reference axes, the associated periodic motions divide into two types: oscillatory and rotary periodic motions. For an oscillatory periodic motion, all the generalized coordinates are periodic in time. On the other hand, for a rotary periodic motion, some angular coordinates may have unbounded magnitude due to the persistent circulation about their pivots. In this case, although the behaviour of the system is periodic physically, those angular coordinates are not periodic in time. Although various effective methods have been developed for the determination of oscillatory periodic motion, the rotary periodic motion can only be determined by brute force integration. In this paper, the incremental harmonic balance (IHB) method is modified so that rotary periodic motions can be determined as well as oscillatory periodic motions in a unified formulation. This modified IHB method is applied to a practical device, a rotating disk equipped with a ball-type balancer, to show its effectiveness.     

二维光子晶体禁带特性研究

采用平面波展开法对二维光子晶体分别在E和H极化下的带隙进行了计算. 考虑了填充比、晶格结构、介电常数对最大绝对帯隙的影响. 结果表明,不论是正方晶格还是三角晶格,TM模在介质柱型光子晶体中更容易形成带隙;TE模在空气孔型光子晶体中更容易形成带隙. 填充比一定,最大绝对帯隙宽度并非随着介电常数增大总是增大,而是存在一个峰值. 相对介电常数一定,最大绝对帯隙宽度随填充比的变化也存在一个峰值. 不论空气孔型还是介质柱型结构,三角晶格比正方晶格更容易形成帯隙. 关键词： 平面波展开法 TE模 TM模 最大绝对帯隙     

阿魏酸过渡金属配合物的合成及抗凝血作用研究

用阿魏酸与Fe、Co、Ni、Cu、Zn的硝酸盐制备了5种过渡金属配合物,通过红外光谱、热重-差热分析、元素分析、荧光和紫外光谱的方法对配合物进行了表征,确定了配合物的组成。并对配体和配合物进行了全血凝血时间、复钙时间、活化部分凝血活酶时间、凝血酶原时间的测定,结果表明5种配合物具有较好的抗凝血性质。通过荧光光谱、紫外光谱、圆二色谱研究了配合物与人血清白蛋白(HSA)的相互作用,HSA的荧光光谱表明配合物对其有荧光猝灭作用并使其发射峰位置红移,紫外光谱表明配合物的加入导致HSA吸收强度增加且吸收峰位置紫移,圆二色谱表明配合物的存在可引起HSA构象的变化。推测配合物抗凝血作用的起效与其和血清白蛋白之间的相互作用有一定的联系。     

具有不同Bi/Ti摩尔比的BiOI/TiO2 (A)光催化剂的结构与性能

在室温条件下通过沉积法制备了BiOI敏化纳米锐钛矿TiO₂ (A)光催化剂. 用X射线衍射(XRD),X射线光电子能谱(XPS), 光致发光(PL)光谱和紫外-可见漫反射(UV-Vis DRS)等手段对其进行了表征. 通过罗丹明B(RhB)催化降解实验评价了其光催化活性. 随BiOI含量增加, BiOI/TiO₂ (A)在370-630 nm的吸收强度增强, 吸收带边红移增加, 紫外和可见光催化活性先增加, 当BiOI含量约为1.7% (质量分数)时, 各自达到最大值, 然后随BiOI含量的进一步增加而减小. 1.7% BiOI/TiO₂ (A)的可见光活性明显高于P25, 它的紫外光活性也略高于P25. 在BiOI含量相近时, BiOI/TiO₂ (A)比BiOI/P25具有更低的光催化活性. 和TiO₂ (A)相比, 1.7% BiOI/TiO₂ (A)明显具有更高的紫外和可见光催化活性, 这归功于它在370-630 nm的强吸收、吸收带边红移明显以及光生电子和空穴的有效转移, 减少了电子-空穴对的复合.