γ—Mo2N合成过程中的热变化及中间产物的研究

采用ＤＴＡ技术，通过改变升温速率研究了γ－Ｍｏ２Ｎ合成过程中的热变化，并经ＸＲＤ，ＢＥＴ及ＩＲ测试，对ＤＴＡ曲线中的谱峰进行归属，考察了中间产物，ＤＴＡ结果表明，在ＭｏＯ３和ＮＨ３程序升温反应过程中有放热峰及吸热峰出现，且随升温速率的长高，放热峰面积与吸热峰面积之比逐渐减小，结合ＸＲＤ及ＩＲ结果可知，ＤＴＡ曲线听放热峰可归属为由ＭｏＯ３变化为ＭｏＯ２的还原峰，吸热峰则归属为由ＭｏＯ２变化为Ｍｏ２Ｎ     

DFT study of the conductance of molecular wire:The effect of coupling geometry and intermolecular interaction on the transport properties

The density functional theory (DFT) combining with the non-equilibrium Green functions (NEGF) method is applied to the study of the electronic transport properties for a Di-thiol-benzene (DTB) molecule coupled to two Au(111) surfaces. The dependence of the transport properties on the bias, the coupling geometry of the molecule-electrode interface, and the intermolecular interaction are examined in detail. The results show that the existence of the hydrogen atom at the end of the DTB molecule would significantly decrease the transmission coefficients, and then the differential conductance (dI/dV). By changing the position of the DTB molecule located between two electrodes a maximum value of calculated current is observed. It is also found that the intermolecular interaction will strongly influence the transport properties of the system studied.     

Preparation of Europium Induced Conformation—specific anti—calmodulin Monoclonal Antibody

Monoclonal antibody technique was employed to detect the conformational difference of CaM induced by metal ions. A trivalent europium ion induced conformation-specific anti-calmodulin monoclonal antibody was successfully prepared with europium-saturated calmodulin as antigen.     

Three New Anthraquinones from Polygonum cillinerve

Three new anthraquinones, emodin-8-β-D-（2＂-O-coumarate）glucoside 1, emodin-8-β-D-（6＇-O-acetyl）glucoside 2 and physicon-8-β-D-（6＇-O-acetyl）glucoside 3, were isolated from the roots of Polygonum cillinerve and their structures were established by spectroscopic methods. The biological activity indicated that compound 1 had the scavenging activity on 1,1-diphenyl-2-picrylhydrazyl （DPPH） radicals （the IC50 = 8.5 μmol/L）, and compound 1-3 showed no activities against HL-60 and BCJC-823 cells by MTT method in vitro.     

一种新型锂离子电池用聚合物电解质复合膜的制备和性能表征

阐述了一种新型锂离子电池用PVDF-HFP(聚偏氟乙烯-六氟丙烯聚合物树脂)基聚合物电解质复合膜的制备过程. 对复合膜中使用的无机TiO2纳米颗粒进行固体超强酸化处理, 并进行颗粒表面酸强度H0测试、XRD晶体结构分析以及复合膜的电解液吸附率测试和电化学阻抗谱测试. 采用PE无纺布支撑体作为增强材料, 以浸涂方法制备复合膜,并进一步组装为锂离子电池, 性能测试表明该电池具有良好的电化学性能.     

2A12-T6铝合金表面双-(γ-三乙氧基硅丙基)四硫化物薄膜的特性

采用傅立叶变换红外光谱分析了2A12-T6铝合金表面自组装双-(!-三乙氧基硅丙基)四硫化物硅烷偶联剂(SCA)薄膜结构特征,并采用电化学极化曲线评价了薄膜的耐蚀性能.结果表明,铝材表面自然晾干,SCA薄膜分子之间主要通过氢键连接,腐蚀电流密度减小1个数量级以上.120℃的加热处理促进铝板表面通过SiOSi链接而形成SCA网状薄膜结构,并通过在界面上形成SiOAl界面相结构而与铝板表面牢固连接,腐蚀电流密度降低2个数量级以上.SCA乙醇溶液浸泡处理10min比浸泡2s～1min的铝板表面SCA薄膜内氢键缔合羟基要多.     

低温加氢催化剂的设计: 理论与实践

简要总结了我们在C=C及C=O双键低温加氢双金属催化剂方面的最新研究成果. 首先, 我们以环己烯加氢为探针反应, 证明了平行使用多种研究手段的重要性, 包括单晶表面的基础研究与DFT计算, 多晶表面的合成与表征, 负载型催化剂的制备与性能测试等. 其次, 总结了双金属催化剂在其他加氢反应, 如丙烯醛C=O双键的选择性加氢, 苯的低温加氢, 以及乙炔的选择性加氢等反应中的应用. 最后, 讨论了利用金属碳化物代替贵金属Pt以减少双金属催化剂中Pt用量的可能性.     

溶剂和酰基受体对α-氰基-3-苯氧基苄醇乙醇的酶促对映体选择性转酯化反应的影响

研究了在有机溶剂中固定化Alcaligenes sp.脂肪酶催化α-氰基-3-苯氧基苄醇乙酯的对映体选择性转酯化反应，考察了不同性质的溶剂和酰基受体对酶的催化活性和选择性以及对产物稳定性的影响．结果发现在弱极性溶剂如正己烷中酶具有较高的催化活性但产物e．e．％值低，而且容易分解；在四氢呋喃等溶剂中酶催化活性相对低，但产物e．e．％值高，也较为稳定；但反应时间太长，会导致产物分解及纯度下降；不同酰基受体对酶反应无显著影响，甲醇为最佳酰基受体，太多醇会导致反应速率下降；溶剂水含量大于2．0％时对酶活性和产物稳定性产生明显不利影响．在优化条件下，酶反应可得到（S）-α-氰基-3-苯氧基苄醇产率＞48％，纯度＞99％e．e．     

DIRECT DETERMINATION OF NEODYMIUM AND ERBIUM IN RARE EARTH MIXTURE BY DERIVATIVE SPECTROPHOTOMETRY

The absorption spectra of 4f electron transitions of the complexes of neodymium and erbium with 8-hydroxyquinoline-5-sulphonic acid in the presence of diethylamine and ethanol have been measured by normal and third-derivative spectrophotometry. Their molar absorptivities are 70.7 l.mol~(-1).cm~(-1) for Nd and 62.5 l.mol~(-1).cm~(-1) for Er. They are 7.6 times and 14.9 times greater than those of corresponding chlorides, respectively. Use of the third-derivative spectra both eliminates the interference of Ce(Ⅳ) and increases the sensitivity for Nd and Er. Beer,s Law was obeyed from 0-10 ug/ml of Nd and Er. The method has been applied to the determination of neodymium and erbium in rare earth mixtures.