吖啶橙与牛血清白蛋白的相互结合反应

应用光谱法研究了水溶液体系中吖啶橙与牛血清白蛋白分子间的相互结合反应，其结合常数为ｋ＝４．８×１０＾３ｍｏｌ／Ｌ，结合位点数为ｎ＝０．２８。并依据Ｆｏｒｓｔｅｒ非辐射能量转移机制，探讨了吖啶橙与牛血清白蛋白相互结合时，其给体－受体间距离（Ｒ０＝１．５ｎｍ）和能量转移效率（Ｅ＝０．３２）。证实了吖啶橙与牛血清白蛋白的相互结合作用为单一的静态猝灭过程，且阐明了其猝灭机制是通过能量转移产生的。     

O(1D)与CF3Br的反应研究

研究了ＣＦ３Ｂｒ－Ｏ３体系在２５３．７ｎｍ紫外光照射下所引发的Ｏ（＾１Ｄ）与ＣＦ３Ｂｒ的２,Ｏ（＾１Ｄ）与ＣＦ３Ｂｒ反应的最终产物为ＣＦ２Ｏ、Ｆ２和Ｂｒ２,反应速率常数ｋ为１．３２×１０＾－１０ｃｍ＾３·ｍｏｌ＾－１·ｓ＾－１。了Ｏ＾３Ｐ）与ＣＦ３Ｂｒ反应的可能性。Ｏ＾（１Ｄ）与ＣＦ３Ｂｒ反应的机理及外加气体对反应的影响等。     

生理液中血卟溶液状态的光谱研究

本文通过对血卟啉在生理条件下（ｐＨ＝７．２，Ｉ＝０．５ｍｏｌ／Ｌ ＮａＣｌ）水溶液中的光谱变化研究，探讨了其在溶液中的聚集状态。应用Ｋａｓｈａ理论推算出血卟啉二聚体的面－面间距离为０．５２８ｎ铐，面间角为２０＾ｏ，平衡常数为２．８５×１０＾－６，研究了在光作用下，血卟啉－人血清白蛋白溶液体系的光谱特性。讨论了光谱特性与血卟啉在癌瘤光化学治疗机制间的关系。     

裉色光度法测定SO^2—3的研究

本文研究了ＳＯ＾２－３褪色碱蓝６Ｂ的反应，在ｐＨ５．２Ａｃ－ＮａＡｃ缓冲介质中，ＳＯ＾２－３浓度在０．３９－１２ｍｇ／Ｌ范围内符合比尔定律，仅Ｆｅ＾３＋，Ｎｉ＾２＋，Ｃｒ＾３＋干扰测定，用于食品中ＳＯ＾２－３的测定，结果令人满意。     

金属离子与卟啉的嵌入反应动力学研究──Ⅶ．一元酸根催化Cu(Ⅱ)与溴化间－四(N－乙酸甲酯基－3－吡啶基)卟啉的配位反应

研究了在３５±０．１℃、离子强度０．５ｍｏｌ／Ｌ（ＫＣｌ）条件下，甲酸根、乙酸根、丙酸根和丁酸根分别催化Ｃｕ（Ⅱ）离子与四溴化间－四（Ｎ－乙酸甲酯基－３－吡啶基）卟啉（Ｈ２Ｔβ－Ｎ－ＡＣＭｓｐｙＰＢｒ４）的反应动力学及其机理，该类反应对卟啉和Ｃｕ（Ⅱ）离子均为一级反应，反应动力学方程为：ｄ［ＣｕＰ＾４＋］／ｄｔ＝ｋ｛１．０＋ｂ［Ａ＾－］）／（１．０＋Ｋ３，４．［Ｈ＾＋］＾２｝［Ｃｕ＾２＋］［Ｐ］Ｔ     

低压离子色谱仪的原理及应用

本介绍了一种新型的离子色谱仪，它可以在１．９６－２．９４×１０＾５Ｐａ（约２８－４３Ｐｓｉ）的低压下，分析Ｃｕ＾２＾＋，Ｚｎ＾２＾＋，Ｎｉ＾２＾＋，Ｃｏ＾２＾＋，Ｆｅ（Ⅲ），Ｃｄ＾２＾＋，Ｍｎ＾２＾＋，Ｆｅ＾２＾＋，Ａｌ（Ⅲ），Ｚｒ（Ⅲ），Ｃｒ（Ⅲ），Ｃｒ（Ⅵ）等金属阳离子。中介绍了该仪器的原理及应用。     

稀土—萘啶酸螯合物的发光特性及萘啶酸与牛血清白蛋白的结合作用

研究了稀土离子铕与铽与萘啶酸的发光反应，探讨了发光反应机理。测得螯合物的组成为Ｅｕ（ＮＡ）＾＋２与Ｔｂ（Ｎ）３。利用铽－萘啶酸的发光反应，根据Ｓｃａｔｃｈａｒｄ模型，研究了并测定了萘啶酸与牛血清白蛋白的作用及其结合常数。     

铬（VI）与5—溴水杨基荧光酮的显色反应及应用

本文研究了Ｃｒ（Ⅵ）与５－溴水杨基荧光酮（５－Ｂｒ－ＳＡＦ）的显色反应。在ｐＨ６．０ＫＨ２ＰＯ４－ＮａＯＨ缓冲溶液中，Ｃｒ（Ⅵ）与５－Ｂｒ－ＳＡＦ、ＣＴＭＡＢ形式稳定的三元络合物，其最大吸收波长为５７２ｎｍ，表观摩尔吸光系数为１．４２×１０＾５Ｌ·ｍｏｌ＾－１·ｃｍ＾－１。Ｃｒ（Ⅵ）浓度在０￣２．５μｇ／１０ｍＬ间服从比耳定律。用此法测定了环境水样中微量Ｃｒ（Ⅵ），获得满意结果。     

用原子吸收光谱对痕量铬作价态分析

本文详细研究了鱼腥藻对Ｃｒ＾３＋和Ｃｒ＾６＋离子的选择吸附条件，发现Ｃｒ＾３＋的最佳吸附ＰＨ值为４－５；Ｃｒ＾６＋的最佳ＰＨ为７左右，一定量柠檬酸能抑制Ｃｕ＾２＋，Ｐｂ＾２＋及Ｃｄ＾２＋对Ｃｒ＾６＋的吸附干扰。建立了痕量铬的不同价态原子吸收分析方法；对金属离子与藻之间的吸附机理作了初步探讨。     

硝酸甲酯与不同亲核试剂的SN2反应的理论研究

用从头计算和半经验分子轨道ＡＭ１方法分别对系列亲核试剂和硝酸甲酯的电子结构以及它们之间的气相ＳＮ２反应进行了理论研究，揭示了反应过程中体系的结构，能量和电荷的递变规律，由反应活化能得了这些亲核试剂的亲核性次序为：ＯＨ＾－〉Ｆ＾－〉Ｉ＾－〉ＮＯ＾－３〉ＣＮ＾－〉Ｂｒ＾－〉Ｃｌ＾－〉Ｎ＾－３。     

MCM-41表面氧化铜的分散研究

金属离子修饰的M41S介孔分子筛催化剂体系是当前多相催化剂研究的热点.虽然有关介孔分子筛金属离子修饰的方法有多种[1],但均存在着负载的金属粒子在载体表面负载量低或分散不均匀等缺点;采用本课题组的有机官能团化法[2]可以得到高分散度和高负载量的介孔分子筛负载金属氧化物     

Simulation Analysis on the Profiles of Droplets Wetting on the Substrates

To study the structural characteristics and physical properties of droplets sitting on the inclined substrates and cylindrical surfaces, wetting experiments are conducted in different cases. The profile curves of the droplets are recorded and extracted by a CCD camera and image processing, respectively. Contact angles are figured out by fitting the profile curves and taking the derivative at the front and rear triple points. Based on the experimental results, a Surface Evolver is employed to simulate the morphological changes by minimizing the total energy of the system. Furthermore, theoretical shapes and feature parameters, including the heights and the spreading distances of the droplets, which are hard to obtain by normal experimental measurements are provided. The contact-angle hysteresis when the heavy droplet sitting on the inclined substrate is discussed. Meanwhile, the evolutions of the contour of the three-phase contact line are predicted when heavy droplets spread on the convex and concave cylindrical surfaces, respectively. This study provides a finite-element analysis method to describe the surface properties of molten droplets on different substrates, and the simulation results agree well with the experimental results.     

国产硅藻土吸附尿激酶机理的研究

在常温下, 尿激酶在浙江土和吉林土表面的吸附等温线分别为V型和II型; 焙烧后两者皆转为III型。吸附等温线类型与硅藻土表面结构、孔结构、表面ζ电位有关。在400℃焙烧的硅藻土等电点值最低, 吸附量最大; 改性后, 吸附量也发生改变。本文还测定了尿激酶在硅藻土表面的吸附形态, 其吸附等温线方程符合0/(1-0)=(Kc)^1/β, 并讨论了平衡常数K和尿激酶吸附功能链段数β随温度的变化。     

DFT Study on the Effect of Hydrogen-bond Formation on the Adsorption of Aminotriazines on Graphene

DFT calculations have been performed to explore the aminotriazine adsorption on graphene surfaces.Relative energies,equilibrium geometries and electronic structures of monomer and dimer of aminotriazine molecules adsorbed at the surface were investigated and analyzed in details.It was found that the hydrogen atoms in the NH2 group of aminotriazine molecules are directed toward the graphene surface,and the adsorption energy increases as the NH2 group is added.The adsorbed aminotriazine molecules facilely form a dimer through the hydrogen bonding interactions,and the two aromatic rings of optimized structure of 2-amino-1,3,5-triazine(B) dimmer(denoted by B2) and melamine(D) dimmer(denoted by D2) are parallel to the graphene sheet.The large deviation of the averaged adsorption energy of B2 and D2 compared to monor adsorption may reflect the increase of π-π repulsion and the effect of hydrogen bond formation.The electronic structure analyses reveal that the formation of hydrogen bonds in melamine dimer has great influence on the adsorption mode at the graphene surface.     

关于变价态奎宁电极的研制与Ph对电极斜率影响的探讨

本文研究在两种质子化状态存在时奎宁的电极行为与特点,证明在不同pH溶液中变价态奎宁电极电位不能直接用能斯脱公式或Nicolsky-eisenman公式表出,提出了变价态电极的S-σ经验或,并依据此式,用奎宁选择性电极测出20℃下I=0.5McIlvaine缓冲液双质子化奎宁,辛可宁、硫胺的Ka1分别为(8.37±0.96)x10[-5],(8.00±0.92)x10[-5].(8.37±0.96)x10[-6].指出:同系列溶剂介电常数增大,液膜电极斜率增大,存在S-1/ε线性关系,电极可用于奎宁的电位滴定法或直接电位法测定。     

Microcalorimetric investigations on the influence of propolis on the bacterium micrococcus luteus

Propolis or bee-glue is the third important product of honey bees after honey and wax. Known for thousands of years for its curative effects it is finding evermore attention in alternative and classical therapy in recent times against, e.g. infections, inflammations, dermatologic diseases and in wound healing.

Microcalorimetric experiments were performed on the influence of several propolis samples from Germany, Uruguay, Ethiopia and of a commercial propolis tincture on growth and metabolism of the recommended gram-positive bacterium Micrococcus luteus. Propolis extracts were prepared following established recipies for the water-soluble and insoluble components and the precipitate.

Addition of these extracts to a growing M. luteus culture in different growth phases resulted in a strong decline of the heat production rate, a prolongation of the lag phase or an introduction of a new, second lag phase, while the form of the calorimetric power-time curve remained unchanged. The calorimetric response showed a linear dependence on the propolis concentration. Although the quantitative gain of the extracts from the different propolis samples was nearly constant, the effects varied considerably between the specimens used.

The calorimetric investigations were supplemented by polarographic oxygen monitoring and by the standard agar well technique to determine the growth inhibition factor of the propolis extracts.     

基于分离粒子随机扩散理论的色谱模拟

为了对扩散分子的轨迹实施动态追踪与模拟, 深入理解分子扩散对色谱动力学的影响, 本文利用微尺度受限空间随机行走的模拟方法对色谱填充柱中的分子扩散过程进行了模拟. 重点考察了固定相的填充率、固定相的形状和柱长对色谱动力学行为的影响. 模拟结果表明短柱和大填充率具有较高的柱效; 在相同的密堆排列下, 固定相形状对分子扩散过程影响微弱; 待分离粒子的运动表现出微尺度空间限域的扩散特征, 但粒子的流动行为会随外部压力的增大而增加. 本论文提出的模拟方法对于发展高效能色谱, 开发新型分离技术等具有参考意义.