质子化丙酮分子团簇的结构和振动光谱

用密度泛函B3LYP/ 6 3 1G(d)方法 ,对质子化丙酮分子团簇 (CH3COCH3) nH+ (n =1～ 7)弱相互作用体系进行了全自由度能量梯度优化 ,得到了该系列团簇的稳定结构及其对应的体系能量 .通过对构型的分析得出了质子化丙酮分子团簇 (CH3COCH3) nH+ (n =1～ 7)的生长规律 .计算了中性丙酮分子团簇体系的质子亲合能并总结出其变化趋势 .分析讨论了质子化团簇的红外振动光谱 ,发现质子化团簇的振动光谱普遍较中性环型团簇的振动光谱复杂 ,最强的振动峰来源于质子在溶剂壳中两个氧原子之间的振动 ,而且随着团簇尺寸的增加羰基的伸缩振动峰的数目也随之增多     

吡罗红为底物的辣根过氧化物酶催化荧光反应测定葡萄糖

吡罗红在辣根过氧化物酶催化下可被过氧化氢氧化而使其荧光猝灭。在pH 7.2中性介质中,稳态催化速率由酶和底物浓度决定,催化体系服从Michaelis-Menten方程,用Lineweaver-Burk作图法求得米氏常数、最大反应速度、催化常数分别为2.4×10~(-5)mol·L-1,2.5×10~(-6)mol·L-1s-1,75.8 s-1。在最佳反应条件下,荧光F0/F的猝灭程度与过氧化氢浓度在0-3.6×10~(-7)mol·L-1范围内成线性关系,检测限为6.3×10~(-9)mol·L-1;当与葡萄糖氧化酶联用时,可定量检测葡萄糖,线性关系为0-8.0×10~(-7)mol·L-1,检测限为3.4×10~(-8)mol·L-1。方法用于分析人血清中葡萄糖含量,分析结果与苯酚-4-氨基安替比林法基本一致。     

网络环境下会计信息系统的创新

从我国会计软件的发展历程及网络环境方面，对会计信息系统软件功能的创新、会计信息系统基本结构的创新作了分析和探讨，提出了会计软件未来发展与创新的基本思路和设想．     

双预脉冲驱动X射线激光实验研究

 在“星光-Ⅱ”激光装置上进行了双预脉冲驱动类氖铬X射线激光实验，介绍了实验方法和实验结果，并对结果进行了简短讨论。由于目前“星光”装置输出能量较低，所进行的双预脉冲驱动未能显著提高X射线激光强度，改变预脉冲幅度时X射线激光强度也未有显著变化。利用MED103程序进行了模拟计算，其结果与实验结果一致。     

An Improved Synthesis of Retinoic Acid from β-Ionone

A convenient and large-scale preparation of retinoic acid 1 from β-ionone in five steps with 38% overall yield is described.The key steps are the epoxidization of 2 with a new methylated agent and the condensation 4 with tetraethyl methylenediphophonate in one-pot procedure to prepare 6.     

Synthesis and adsorption properties of gold nanoparticles within pores of surface‐functional porous polymer microspheres

Mesoporous polymer microspheres with gold (Au) nanoparticles inside their pores were prepared considering their surface functionality and porosity. The Au/polymer composite microspheres prepared were characterized by transmission electron microscope (TEM), X‐ray diffraction (XRD), and Brunauer–Emmett–Teller (BET) techniques. The results showed that the adsorption of Au nanoparticles could be increased by imparting the pore structure and surface‐functional groups into the supporting polymer microspheres (in this study, poly (ethylene glycol dimethacrylate‐co‐acrylonitrile) and poly (EGDMA‐co‐AN) system). Above all, from this study, it was established that the porosity of the polymer microspheres is the most important factor that determines the distribution and adsorption amount of face‐centered cubic (fcc) Au nanoparticles in the final products. Our study showed that the continuous adsorption of Au nanoparticles with the aid of the large surface area and surface interaction sites formed more favorably the Au/polymer composite microspheres. The BET measurements of Au/poly(EGDMA‐co‐AN) composite microspheres reveals that the adsorption of Au nanoparticles into the pores kept the pore structure intact and made it more porous. © 2004 Wiley Periodicals, Inc. J Polym Sci Part A: Polym Chem 42: 5627–5635, 2004     

光参量啁啾脉冲放大增益特性研究

 通过对非线性三波耦合方程组进行数值求解，研究了光参量放大的增益特性及饱和放大特性。给出了泵浦光、信号光参数对参量增益的影响及其与晶体饱和长度的关系。且OPA具有传统CPA系统所不具有的优点，将有可能取代传统的CPA系统而作为超短超强激光系统的新型前端。     

高阶线性微分方程的解及其解的导数的不动点

研究了复域齐次和非齐次线性微分方程的解及其解的导数的不动点与超级问题,得到了整函数系数的齐次和非齐次线性微分方程的解及其解的导数的不动点的两个结果,所得结果推广了一些相关结果.     

药用植物化学分类法与红外指纹图谱的相关性研究

本文首次采用傅里叶变换红外光谱法(FTIR)对五加科、桔梗科、木兰科、樟科、豆科、蕨类等科目中的典型药用植物进行了系统研究,比较了各科内植物的异同,并且讨论了相同植物不同药用部位、不同采药时间对其红外谱图的影响。结合药典中关于药物主体有效成分的记载,分析了各药用植物谱图中主要成分的特征基团,对主要吸收峰进行了指认。在传统形态比较分类方法的基础上,FTIR可以成为一种快速、可靠、客观、有效的化学分类学的补充方法。     

Photoluminescence Characterization of Silicon Nanoparticles Hybridized Europium Complex

A europium complex Eu (DBM)3 TPPO (Eu tris(benzoylmethide)-(triphenylphosphine oxide)) and silicon nanoparticles have been hybridized.The hybridization can evidently change the photoluminescence (PL) characteristics of the Eu complex in the following aspects:under an excitation of 390nm,the intensity of the PL peak at 611nm due to the ^5Du-^7F2 transition of the Eu^3 ions has been increased by 30%,and thc integrated PL intensity in the visible range has been increased by nearly 3 times;the PL excitation efficiency beyond 440nm has been improved cvidently;the peak in the PL excitation spectrum shifts from 408nm to 388nm,and the PL decay time decreases from 2.07 to 0.96μs,The experimental results indicatde that in the PL process,the photoexcited energy may transfer from the silicon nanoparticlcs to the Eu^3 ions.