三维动画技术在原子轨道图形表示MCAI中的应用

采用3DSMAX三维动画技术构造原子轨道的角度函数图，通过动画演示，形象，直观地表达了原子轨道的形状特点，极值的方向和节面的位置。     

Immobilization of catalase on membranes of poly(ethylene)-g-co-acrylic acid and poly(tetrafluoroethylene)-g-co-acrylic acid and their application in hydrogen peroxide electrochemical sensors

The immobilization of catalase on grafted membranes of poly(ethylene)-g-co-acrylic acid and poly(tetrafluoroethylene)-g-co-acrylic acid and their application in hydrogen peroxide electrochemical sensors is described. The introduction of carboxylic acid groups onto a hydrophobic support provides a good environment for subsequent enzyme immobilization. This single membrane, hydrogen peroxide sensor showed significant improvement with respect to the double membrane versions. The response is very rapid, the linear range being from 10 μM up to 6 mM, with a detection limit of 4.7 μM, and a lifetime of more than 4 months.     

(E)-3-(3,4-二甲氧基苯基)-2-氰基丙烯酸乙酯的合成和晶体结构

标题化合物C14 H15O4N(3)是由 3,4 二甲氧基苯甲醛 (1) 与氰乙酸乙酯 (2 ) 在KF/蒙脱土催化下以N ,N 二甲基甲酰胺 (DMF)作溶剂反应而得 .结构通过单晶X射线衍射分析确定 ,其晶体属于单斜晶系 ,空间群P2 1/n ,a =1.310 1(3) ,b =0 .80 32 (2 ) ,c =1.385 4 (2 )nm ,β =114 .2 1(1)° ,Mr=2 6 1.2 7,V =1.32 96 (5 )nm3 ,Dc=1.30 5 g/cm3 ,Z =4 ,μ(MoKα) =0 .0 96mm-1,F(0 0 0 ) =5 5 2 .晶体结构用直接法解出 ,使用全矩阵最小二乘法对原子参数进行修正 ,最后的偏离因子R =0 .0 398,RW =0 .0 816 .单晶X衍射分析表明标题化合物为 (E)式异构体产物 ,说明该反应具有立体选择性 .     

聚乙炔的CH面外振动红外光谱研究

采用从头计算方法，计算了反式和顺式聚乙炔的氢原子在垂直于聚乙炔分子面方向振动的红外光谱，计算表明，Gibson等用红外吸收实验所测得的谱线的确是聚乙炔的CH面外振动产生的谱线，经100℃长时间加热后，顺式聚乙炔变为反式聚炔，但波数为740cm^-1的谱级仍保留5％的强度。     

Ce偶-偶同位素低激发态性质的IBM2描述

通过考虑同类核子相干对间的四极相互作用，在IBM2中对Ce偶－偶同位素^128Ce-^138Ce的低激发态能谱和E2跃迁几率及分支比进行了理论分析，计算结果有效地改善了IBM中这些核的γ带能谱的Staggering现象描述，与实验观察到的低激发态结果基本一致。     

Finesse 全瓷冠适合性的体外实验研究

目的 :测量Finesse全瓷冠的边缘浮出量及粘固剂的厚度 ,并与金属全冠及金瓷全冠相比较 ,为Finesse全瓷冠的临床应用提供适合性方面的理论依据。方法 :用片切法测量 3组全冠粘固前、后边缘浮出量及粘固剂的厚度。结果 :Finesse全瓷冠粘固前、后的边缘浮出量分别为 (37 6 1± 9 13) μm、(6 5 85± 15 11) μm ,粘固剂厚度为 (40 84± 9 73) μm ,与金属全冠及金瓷全冠相比较 ,均无显著性差异 ;3组全冠粘固前和粘固后的边缘浮出量有显著性差异。结论 :Finesse全瓷冠适合性良好 ,完全可为临床应用 ;粘接对全冠修复体的边缘浮出量有影响。     

Photocatalytic Synthesis of Oxygenates from Gaseous CO2 and CH4 over Semiconductor

Photoinduced synthesis of CO2 and CH4 was investigated using a batch reaction system on several photoactive materials supported on silicon dioxide. Single semiconductor showed higher selectivity to C1 compounds. The production of C2-C3 oxygenates took place preferentially on composite semiconductor photocatalysts. In particular, it was found that acetone was the primary product over Cu/CdS-TiO2/SiO2.     

Triterpenoid Constituents of Huperzia miyoshiana

Thirteen triterpenoids, including three new ones, miyoshianois A (1), B (2) and C (3), were isolated from Huperzia miyoshiana. The structures of these new compounds were established as 3-O-dihydroferuloyltohogenol (1), 16-oxo-3β,21β-dihydrox-y-serrat-14-en-24-ferulate (2) and 16-oxo-3a, 21β-dihydroxy-serrat-14-en-24-ferulate (3), respectively, on the basis of their spectroscopic analysis.     

有消费或投资的华氏宏观经济模型

本文对华罗庚教授的宏观经济模型进行了推广 ,在原来模型的基础上 ,分别增加了消费、投资 ,得到两种不同的模型 ,并对模型具有经济意义的解进行了研究     

优化灰导数白化值的无偏灰色GM(1,1)模型

通过优化灰导数白化值 ,建立了无偏的 GM(1,1)模型 ,给出了估计模型参数的方法 ,证明了无偏GM(1,1)模型具有白指数律重合性 ,提出了新的预测公式 .实例分析表明 ,新方法提高了模型的精度 ,扩大了模型的适用范围 .