Theoretical and computational studies of vectorial processes in biomolecular systems

Efficient vectorial processes such as the transduction of bioenergy and signals are characteristics that strikingly distinguish living systems from inanimate materials. Recent developments in biophysical and biochemical techniques have provided new information about the structure, dynamics and interaction of biomolecules involved in vectorial life processes at multiple length and temporal scales. This wealth of data makes it possible to carry out theoretical and computational studied of key mechanistic questions associated with complex life processes at an unprecedented level. Using two “vectorial biomolecular machines”, myosin and cytochrome c oxidase, as examples, we discuss the identification of interesting and biologically relevant questions that require thorough theoretical analysis. Technical challenges and recent progress related to these theoretical investigations are briefly summarized     

氯化钠团簇的形成规律与结合能计算

当离子蒸气冷凝形成团簇时，其结构表现出特定的规律。文中对不同大小不同形状的氯化钠团簇结构与结合能进行了计算，以求揭示离子蒸气冷凝形成团簇的一些规律，并与实验结果进行对照。     

一类半线性积分微分方程初边值问题的爆破解和全局解

本文研究初边值问题的爆破解和全局解，证明了在ｆ的凸性假设和一定的增长性假定下解在有限时刻爆破，而在ｆ的其他假设下证明了全局解的存在性。     

锥体棱镜的加工

本文简单地叙述了锥体棱镜两种加工工艺。重点介绍直接成型法加工中对角度误差~1″的控制。并提出了角度超差零件返修时的光胶方法。     

一种新的乙酰胆碱酶电极的研究

本文制备了一种以溶剂聚合膜ＰＨ电极作原电极，经高碘酸钠活化的醋酸纤维膜固定乙酰胆碱酯酶的乙酰胆碱生物电极。研究了酶固定化条件的影响，测得静态和动力学条件下的线性中响应范围分别为２４０－１３００μｇ／ｍＬ和３００－１７００μｇ／ｍＬ将电极用于实际样品的回收率试验中，获得了满意的结果。     

微量元素与精神病的研究

一些基础医学实验研究和临床观察的资料表明，精神疾病患者体内的微量元素存在着显著的异常，已引起了国内外学者广泛关注，本文根据近年来的国内外文献报道，概述了微量元素锌（Ｚｎ），铜（Ｃｕ），铁（Ｆｅ）和常量元素钙（Ｃａ），镁（Ｍｇ）的生理作用及与精神病关系的研究进展。     

助熔剂N_aCl－CdCl_2对CdS∶Cu，In结晶状态作用规律研究

发现在确定的热处理温度和时间下，随炉料中助熔剂ＮａＣｌ－ＣｄＣｌ２，总含量的增加，ＣｄＳ：Ｃｕ，Ｉｎ多晶的粒度分布变窄，数均粒径具有最大值，晶粒外型趋于规整且表面平滑．进而证明，多晶的结晶状态对其光电性能具有显著的影响．     

两种荧光LB膜的制备和光谱性能

制取了４－二氰基亚甲基－２－甲基－６－对二甲胺基苯乙烯基－４Ｈ－吡喃（ＤＣＭ）和１，２－双（５－甲基苯并恶唑）基乙烯（ＤＴ）两种荧光分子的ＬＢ膜以及两者的混合膜，以吸收光谱和荧光光谱探讨了膜中分子的构型，微环境，发光性能等特征，发现在ＬＢ膜的缀密排布环境中ＤＣＭ顺式构型的含量较之在溶液中大为增加。     

Underpotential deposition of tin(II) on a gold disc electrode and determination of tin in a tin plate sample

This work describes a study of the underpotential deposition (UPD) of Sn²⁺ on a polycrystalline gold disc electrode using cyclic voltammetry (CV) and chronocoulometry (CC). Sn²⁺ ions showed well-defined peaks from UPD and UPD stripping (UPD-S) in 1 mol/L HCl solutions, while bulk deposition (BD) and BD stripping (BD-S) of the ions were also observed. The measured UPD shifts, E_UPD, between the UPD-S and the BD-S peaks were more than 200 mV. The UPD charge and the surface coverage of tin were measured by CC. A new method for determining Sn²⁺ was therefore developed, based on the excellent electrochemical properties of the Au/Sn UPD system. A plot of the UPD-DPASV (differential pulse anodic stripping voltammetry) signal versus the Sn(II) concentration was obtained for [Sn(II)] of 1.98×10^–7 to 3.64×10^–5 M. The method developed here has been applied to determine the tin in a tin plate sample.