锇-聚乙烯吲哚配合物修饰电极对肾上腺素的电催化氧化

研究了配位聚合物锇 -聚乙烯吲哚 [Os( bpy) 2 ( PVI) 1 0 Cl]Cl和 Nafion双层膜修饰玻碳电极的电化学特性 ,该膜对肾上腺素 ( EP)的电化学氧化有催化作用 ,在通常的生理条件下 ( p H7.0 ) ,催化电流与 EP浓度在1 .0× 1 0 - 6～ 8.6× 1 0 - 5 mol/L范围内呈良好的线性关系 ,相关系数为 0 .9987.Nafion膜排除了抗坏血酸( AA)的干扰 ,表现出较高的灵敏度、选择性及良好的稳定性 .该电极可在 +2 50 m V下进行 EP的安培法测定 .用旋转圆盘电极对电催化过程的动力学进行了研究 ,催化速率常数 kch为 3 .53× 1 0 3mol- 1 · L· s- 1 .在较高 EP浓度下 ,催化电流与浓度的关系表现出 Michaelis-Menten型响应 ,Michaelis-Menten常数 Km 为1 .4 7mmol/L.     

Synthesis and Theoretical Studies of Phosphoryl Amino Acid Analogue

Phosphoryl amino acids and their analogues are continuing to be increasingly important as potential enzyme inhibitors, mechanistic probes for proteases^[1,2]. Previously, a series of investigations on the structure-reactivity relationship about phosphoryl amino acids 1 had been carried out, the results showed that the co-participation of phosphoryl group, carboxyl group and residues of amino acids were essential and their biomimic reaction mechanisms were commonly through a penta-coordinate intramolecular mixed carboxylic-phosphoric anhydride intermediates^[3].     

Localization of s-Wave and Quantum Effective Potential of a Quasi-free Particle with Position-Dependent Mass

The properties of the 8-wave for a quasl-free partide with position-dependent mass （PDM） have been discussed in details. Differed from the system with constant mass in which the localization of the s-wave for the free quantum particle around the origin only occurs in two dimensions, the quasi-free particle with PDM can experience attractive forces in D dimensions except D = 1 when its mass function satisfies some conditions. The effective mass of a particle varying with its position can induce effective interaction, which may be attractive in some cases. The analytical expressions of the eigenfunctions and the corresponding probability densities for the 8-waves of the two- and three-dimensional systems with a special PDM are given, and the existences of localization around the origin for these systems are shown.     

百万吨级乙烯压缩机加气流动特性研究

级间加气是乙烯工业节能增产的重要手段,特别是百万吨乙烯压缩机加气量高达8倍于上游通流流量,对下游叶轮气动匹配及整机性能影响巨大.目前关于压缩机加气特性及与通流相互影响的研究鲜有报道.本文基于计算流体动力学方法,建立了通流部件与径向加气室内部流动的耦合模型,并以百万吨乙烯压缩机为研究对象,通过分析上一级通流特性、通流-加...     

用于微型生化分析的光探测系统

针对微生化芯片样品剂量少和与微流体芯片集成等要求,设计了两种在芯片内用分光光度法对混合后液体的吸收光谱进行探测的方法。实验利用510～840 nm的可见光光源,采用了直接探测法和消逝波探测法对样品进行探测。通过两种方法的比较证明：直接探测法具有原理简单、消耗样品量少和结构容易实现等优点;消逝波探测法具有需要样品量极少、灵敏度高和易于集成的优点。     

Theoretical Study on the Intermolecular Interactions of Tetrazole Dimers

1 INTRODUCTION Tetrazole and its derivatives are widely applied in the fields of agriculture, biology, chemistry, phar- macology and photographic technology, and they play significant roles in the science and technology as well as national defence[1]. In the past, the res- earches were focused on the molecular geometries, electronic structures, IR, thermodynamic properties, tautomerization, pyrogenation and sensitivity of tetrazole compounds[1～5]. However, study of tetra- zole dimers ha…     

含能材料的密度、爆速、爆压和静电感度的理论研究

用密度泛函理论(DFT) B3LYP方法, 在6-31G*基组水平下, 全优化计算了系列硝胺类和硝基芳烃类爆炸物的几何构型, 用Monte-Carlo方法和自编程序, 基于0.001 e•bohr^－3等电子密度面所包围的体积空间求得分子平均摩尔体积(V)和理论密度(ρ). 用Kamlet-Jacobs方程基于理论密度(ρ)和PM3计算生成焓(ΔH_f)估算标题物的爆速(D)和爆压(p), 发现多环硝胺类化合物的爆轰性能优于芳烃硝基类化合物, 故此, 在寻求高能量密度材料(HEDM)时, 我们应特别关注多环硝胺化合物. 与ρ和D文献值比较, 表明本理论计算方法和结果是适用可靠的. 将爆速(D)和爆压(p)计算值与静电感度实验值(E_ES)进行比较和关联, 发现: 若对化合物进行细致分类讨论, 则它们之间存在较好的线性关系. 据此建议, 在含能材料分子设计中, 可通过理论计算爆轰性质(D或p)去预估难以定量求得或尚未合成的含能材料的静电火花感度值(E_ES). 此外, 我们还讨论了取代基对ρ, D和p的影响, 也有助于分子设计.     

Analytical Expressions of Matrix Elements of Physical Quantities for Dirac Oscillator

The analytical expressions of the matrix elements for physical quantities are obtained for the Dirac oscillator in two and three spatial dimensions. Their behaviour for the case of operator's square is discussed in details. The two-dimensional Dirac oscillator has similar behavior to that for three-dimensional one.     

NHn(n=1～3)体系电子对内对间相关能的变化规律

众所周知,电子相关能问题是量子化学的瓶颈问题‘’‘．为了更深人地了解和认识电子相关能的轨道本质,建立P。St－HF理论校正模型,JS等”－”应用电子对内对间电子相关模式,指出国际著名量子     

Lax Pairs for Integrable Six-Vertex Model with Color Parameters

Using the colored Yang-Baxter equation, the Lax pairs for the system with color parameters and periodic boundary conditions are derived. The explicit expressions of the Lax pairs for the six-vertex standard R matrices of both the Baxter and free-Fermion types are given.