Synthesis of fluorescent dendritic 8-hydroxyquinoline ligands and investigation on their coordinated Zn(II) complexes

A series of luminescent PAMAM dendrons emanating from 8-hydroxyquinoline have been synthesized and their coordination with Zn(II) was investigated for the first time. The obtained dendritic Zn(II) complexes were soluble in common organic solvents. It was found that the luminescence intensity of G2 dendron 6 was higher than that of G1 dendron 4. Furthermore, when they were coordinated with Zn(II), red-shift was observed and the intensities of the coordinated Zn(II) complexes were higher than that of the corresponding ligands.     

白卡奴鸽动脉粥样硬化模型微量元素谱的计算机多元分析

用ＩＣＰ－ＡＥＳ测定了白卡奴鸽动脉粥样硬化模型和对照组的器官和组织中１９种元素含量，通过因子分析，取得一系列因子得分图，结果表明，动脉粥样硬化和对照组样品点分布在不同区域，且可分辨。     

Supramolecular conducting microfibers from amphiphilic tetrathiafulvalene-based organogelator

An amphiphilic tetrathiafulvalene molecule can gelate a variety of organic solvents in view of multiple intermolecular interactions, especially in polar solvent with the formation of highly-ordered columnar structures. The formation of mixed-valence states shows the semiconductive behaviors with the conductivity of 10^-4 S/cm, as promising candidates for organic electronics.     

偶极积分与Boys法分子轨道定域化

定域分子轨道在分子体系的化学图象和物理图象之间充当重要的桥梁作用,它的产生依赖于定域化准则,其中最普遍使用的是Foster-Boys和Edmiston-Ruedenberg(E—R)提出的两种定域化准则。这两种定域化准则是等价的,因而结果也是一致的。但对于E—R定域化来说,由于涉及到大量的多中心积分的计算,计算极为费时,因而远不如Foster-Boys定     

Studies on the Interaction of Beryllon Ш with Proteins by Voltammetric Technique and its Application

A new quantitative determination method of proteins using beryllon Ш by voltammetric technique was developed in this paper. In pH 3.5 Britton-Robinson (B-R) buffer solution, beryllon Ш can bind with human serum albumin (HSA) to form an electro-inactive supermolecular complex. Beryllon Ш has a well-defined voltammetric reduction peak at -0.38 V (vs. SCE) and the addition of protein in this solution can cause the decrease of the reductive peak current. Based on the decrease of the reduction peak current, a new electrochemical method for the determination of HSA was established with linear range of 1.0~40.0 mg/L and the detection limit of 1.0 mg/L. This method is further applied to the determination of real sample of healthy human serum.     

Heat transfer in polymer composites filled with inorganic hollow micro-spheres: A theoretical model

The heat transfer mechanisms in inorganic hollow micro-spheres filled polymer composites are analyzed in the present paper. This heat transfer includes mainly three mechanisms: (1) thermal conduction between solid and gas; (2) thermal radiation between the hollow micro-sphere surfaces; and (3) natural thermal convection of the gas in the micro-hollow spheres. A theoretical model of heat transfer in polymer/inorganic hollow micro-sphere composites is established based on the law of minimal thermal resistance and the equal law of the specific equivalent thermal conductivity, and a corresponding equation of effective thermal conductivity is derived. The effective thermal conductivity (k_eff) of hollow glass bead-filled polypropylene composites is estimated by using this equation, and is compared with the numerical simulations by means of a finite element method. The results show that the variation of the theoretical estimations of k_eff are similar to the numerical simulations at lower filler volume fraction (φ_f20%). Moreover, k_eff decreases linearly with increasing φ_f, and reduces somewhat with increase of filler size.     

The role of 3d orbitals in the bonding of phosphorus compounds

Ab initio LCAO-MO-SCF calculations for several typical molecules containing phosphorushave been undertaken to study the role of phosphorus 3d orbitals in the bonding.It is emphasizedthat the discussion about the 3d orbital participation in bonding should be based on a reasonable choiceof basis sets and it seems suitable to choose the atomic orbitals in proper molecular environment asthe basis set.As an approximation,the optimized minimal STO-NG basis sets have been adoptedin the present paper.The results obtained well exhibit the model of 3d orbital participation in bonding.It is shown that under the influence of highly electronegative ligands the phosphorus 3d orbitals con-tract greatly,their energy levels drop considerably,and thus they can effectively participate in bond-ing.The presence of highly electronegative ligands seems necessary.The contribution of 3d orbitalsto bonding is achieved mainly through the concertedformation of σ bonds and p-d backbonds,thoughthe contribution to σ bonding is minor.The three-center,four-electron bond modelis only approxi-mately correct.The results of the present paper demonstrate that the model of 3d orbital participationin bonding favoured by experimental chemists is reasonable and possesses sound ground.