多功能荧光分光计的微机化

本文在原有实验室自制多功能荧光分光计的基础上，通过微机Ａ／Ｄ转换技术的软件设计，实现了光谱的ＣＲＴ显示，分别得到了常规荧光光谱，各种同步荧光光谱及它们的一，二阶导数谱，并且测绘了三维立体荧光光谱和等高图荧光光谱。同时建立了各种光谱及数据处理技术。     

重离子冷却贮存环与原子物理研究

文中概要介绍了重离子冷却贮存环的工作过程,对在这个装置上目前进行的原子物理学领域有关前沿研究课题进行了简述和讨论.     

原子模型势理论中径向微分算符矩阵元的计算

本文推广［７，８］的工作，导出了多电子原子模型势理论中含径向微分算符的矩阵元通式，可直接用于以“速度”及“加速度”形式跃迁振子强度计算。     

Ab initio calculations of transport properties of atomic bridges by the recursion-transfer-matrix method

We present an efficient self-consistent method for approaching quantum transport through atomic-scale structures. Using the recursion-transfer-matrix (RTM) method with a separable form of nonlocal pseudopotentials, scattering waves propagating between metallic electrodes through nano-bridged structures are efficiently calculated on the basis of the density-functional formalism. We performed calculations with this method of the conductance of Al atomic wires with various kinds of single atoms mixed at the contact to one electrode. We found that the transport properties are considerably affected by the bonding nature of the atom at the contact. The conductance is largely determined by the atomic species at the contact and does not change much as the length of the atomic wire increases.     

计算有机化合物脂水分配系数的新方法

A new method is presented for the calculation of octanol/water partition coefficients. On the basis of summation of atomic contributions, our algorithm, namely; XLOGP, also incorporate correction factors into the calculation. Multivariate regression analysis was performed on a training database of 1831 organic compounds with diverse structures to give the final model. The correlation coefficients for the whole set fitting is 0.968 and the standard deviation is 0.37. The result shows that our model is accurate enough for logP estimation in QSAR studies. Compared to other similar approaches, our method gives better results and is more convenient to use.     

荧光猝灭法研究苯乙烯氧化物与DNA的相互作用

荧光猝灭法是一种可以研究苯化合物与ＤＮＡ相互作用的动态过程的方法。研究结果表明，苯乙烯氧化物与ＤＮＡ的相互作用与苯乙烯氧化物浓度的关系服从动力学一级方程。     

火焰原子吸收光谱法测定血浆代用品中钾和钠

本文报道了火争原子吸收光谱法测定血浆代用品中钾，钠，使用镧和氯化铯，消除了电离干扰和共存元素干扰，本法简便，快速，本法的准确度和精密度均令人满意。     

Banach空间的框架及原子分解的性质

本文利用Hilbert空间的框架理论对Banach空间的框架和原子分解的性质进行了研究,给出了Banach空间的框架和原子分解的一个充分条件,并讨论了Banach空间的框架和原子分解的关系。     

Applications of ion associates for the microdetermination of vardenafil using atomic emission spectrometry

A simple, accurate, precise and sensitive method has been developed for the determination of Vardenafil (Vd) using direct coupled plasma atomic emission spectrometry. The ion associates formed as a result of the reaction of vardenafil with ammonium reineckate, Mn(II) and Co(II) thiocyanates and sodium cobaltinitrite are precipitated. The solubility of the solid complexes under the optimum conditions of pH and ionic strength was studied. Saturated solutions of each ion associate at different temperatures under the optimum precipitation conditions were prepared, and the metal ion content in the supernatant was determined. The solubility products were thus calculated at different temperatures, and the thermodynamic parameters ΔH, ΔG and ΔS were calculated. The method has been used for the determination of vardenafil (1.36–68.32 μg·mL⁻¹) in pure solutions and in Levitra tablets.     

高纯氧化镨样品ICP摄谱分析时光谱干扰校正方法的研究

本文提出了Pr_6O_(11)样品ICP摄谱分析时干扰系数法校正光谱干扰的方法和相应的计算机软件系统。建立了Pr基体对14种稀土杂质元素24条灵敏分析线的干扰系数表(KCT),利用所提出的方法分析了Pr_6O_(11)合成样品,由91个实验点所得回收结果可知,回收率在90～110%之间的占93.4%。可见校正是相当有效和十分必要的。