Photosensitized splitting of cis-syn 1,3-dimethyluracil dimer by tryptophan and its peptides

Photosensitized splitting of cis-syn 1,3-dimethyluracil dimer by tryptophan (Trp) and its peptides (Trp-Tyr and Trp-Phe) is studied by fluorescence quenching experiments and irradiation experiments.It reveals that 1,3-dimethyluracil dimer is mainly split by e?-?aq resulting from two-photon ionization of Trp and its peptides under irradiation with light (λ>290 nm).Moreover,the excited singlet state of Trp and its peptides can transfer an electron to the dimer,which splits and gives two pyrimidines.In addition,because of its lower oxidative potential,the excited triplet state of Trp-Tyr can also split the dimer via transfering an electron to the dimer.     

一类新型双杂环衍生物的合成及其杀菌活性

三唑并嘧啶类杂环衍生物由于其分子结构中同时包含了三唑及嘧啶这两类重要的活性结构单元 ,因而往往表现出广泛的生物活性[1～ 4] ,既可以用于医药 ,也可以用于农药 .因此 ,近年来关于三唑并嘧啶类衍生物的合成及其生物活性的研究受到了人们的广泛关注 -二甲基 - 1 ,2 ,4-三唑     

Stereo- and regio-selectivity in the photosensitized dimerization of 1, 3-dimethylthymine in solution

The effects of reaction pathway and temperature on stereo- and regio-selectivity of photocycloaddition of 1, 3-dimethylthymine (DMT) which gives four cyclobutane type dimers in solution using acetone as the photosensitizer, are investigated by measuring the product distribution. It is demonstrated that the ground-state aggregation between DMT molecules mainly leads to (h-t)dimers, and the diffusion-controlled triplet dimerization is favorable to the formation of (h-h) dimers.     

硅表面双聚体空位附近原子沉积的理论研究

采用经验紧束缚近似方法模拟重构硅(100)表面单个双聚体空位(SDV)附近的单个硅原子的沉积行为，根据绘制的SDV附近附加能量差异的三维及投影图，确定了沉积束缚点和一些鞍点，并研究其可能的扩散路径。     

嘧啶环二炔氮桥C60衍生物的合成及非线性光学性质

合成了嘧啶环二炔氮桥C₆₀衍生物C₆₀NPD ,研究了在532nm、脉宽 8ns条件下的非线性光学特性。通过Z-扫描实验发现C₆₀NPD有很强的非线性吸收和非线性折射,并获得了三阶非线性光学系数χ⁽³⁾ 。同时也研究了光限幅特性，实验结果表明C₆₀NPD有较低的光限幅箝位值。     

Synthesis of novel organophosphorus C60 dimers

DUE TO THEIR OUTSTANDING PHYSICAL AND CHEMICALPROPERTIES,FULLERENE DIMERS HAVE PROVEN TO BE ATTRACTIVENANO-SCALE ORGANIC COMPOUNDS IN VARIOUS FIELDS SUCH ASNONLINEAR OPTICS,ORGANIC MATERIALS,BIOLOGY AND MEDI-CINE[1].AMONG THE FULLERENE DIMERS THAT HAVE BE…     

[TPPFe(Ⅲ)]2 O的稳态荧光光谱分析

在溶液中，铁卟啉Fe(Ⅲ)TPPCl容易与H2O反应转化为μ—O二聚体[TPPFe(Ⅲ)]2O，Fe(Ⅲ)TPPCl是非荧光物质，而μ—[TPPFe(Ⅲ)]2O是荧光物质，可通过稳态荧光光谱监测μ—[TPPFe(Ⅲ)]2O的生成。     

铝-4d过渡族金属二聚体的第一性原理计算

【目的】过渡族金属与铝之间的化学成键特性是化学与材料等领域的基础,对铝-4 d过渡族金属二聚体的物理性能进行研究。【方法】用密度泛函B3LYP方法计算铝-4 d过渡族金属二聚体的键长、振动频率、解离能、电离势、能隙和二极矩。【结果】对中性和荷电的二聚体,除AlMo、AlNb+和AlMo+外其键长从AlY到AlPd先减少后增加,解离能和振动频率的变化趋势与之相反。电离势随原子序数的递增先增加,在AlRh处达到极大值后减少。除AlTc的振动频率外,计算结果与已有的实验结果和其他的理论计算结果相符。计算结果还显示除AlCd外,前过渡族金属与铝的结合强度比后过渡族金属的结合要强。荷电二聚体的自旋多重度比相应的中性二聚体差±1。带正电的二聚体的键长比中性和带负电的二聚体的键长要长,荷电二聚体的解离能大于中性二聚体的解离能,解离方式为AlX+→X+Al+和AlX-→Al+X-。     

杂环做铁磁耦合单元的三自由基体系的理论研究

设计了以吡啶、嘧啶、三嗪为耦合单元、以6种自由基为自旋中心的三自由基体系,通过密度泛函方法进行了计算,比较了同一自由基不同体系高自旋态稳定性,比较了同一体系不同自由基高自旋态稳定性.结果表明:3个自由基体系的高自旋态的能量是可信的,而对低自旋态的能量计算自旋污染很严重;自由基.NH2 的稳定性最高,自由基HNO.的稳定性最低,氮卡宾稳定性高于卡宾;用嘧啶做铁磁耦合单元的体系比用吡啶和三嗪做耦合单元的体系稳定性高.     

咪唑并嘧啶质子间距的核磁共振波谱法测定

应用ＮＭＲ ＳＮＩＤＥ法测定了咪唑并嘧啶分子中质子的选择性和非选择性弛豫时间（Ｔ１），进而得到了各个质子间的交叉弛豫速度，并用于计算质子间距，实验结果与理论值完全一致。