Investigation on the coordinate structures of the rare earth metal complexes with edta and cydta ligands

0　IntroductionThegreatattentionhasbeenpaidtorareearthorradioactiverareearthmetalcomplexesfortheirvariousbiologicactivi ties[1 3] .Forexamples,theradioactiverareearthmetal1 53SmⅢ com plexeswerewidelyusedfortumourtherapyofbrain ,liver,lung ,heartandbonetissues[4 5] ;forrareearthmetalEuⅢandTbⅢemitinguniquefluorescence ,theircompoundswereappliedfordiagnosesofvariousdiseases[6 ,7] ;forrareearthmetalGdⅢcontainingthemosthigh spinsingleelectrons,itscomplexeswereusuallyusedforcontrastagentsofmag…     

弹性正交索网结构静力学的各类变分原理

通过罗恩已提出的一条简单而统一的新途径,系统地建立了离散索网模型的正交索网结构几何非线性弹性静力学的各类变分原理。文中首先给出正交索网结构几何非线性静力学的广义虚功原理的表式,然后从该式出发,不仅能得到正交索网结构几何非线性静力学的虚功原理,而且通过所给出的广义Legendre变换,还能系统地成对导出正交索网结构几何非线性弹性静力学的3类变量、2类变量变分原理、以及总势能驻值原理和总余能驻值原理的互补泛函。同时,通过这条新途径还能清楚地阐明这些原理的内在联系。     

Transitional phenomenon of particle dispersion in gas-solid two-phase flows

Without using any turbulent model, direct numerical simulation of a three-dimensional gas-solid two-phase turbulent jet was performed by finite volume method. The effects on dispersion of particles with different Stokes numbers by the transitional behavior of turbulent structures were investigated. To produce high-resolution results and reduce the computation and storage, the fractional-step projection algorithm was used to solve the governing equations of gas phase fluid. The low-storage, three-order Runge-Kutta scheme was used for time integration. The governing equations of particles were solved in the Lagrangian framework. These numerical schemes were validated by the good agreement be-tween the statistical results of flow field and the related experimental data. In the study of particle dis-persion, it was found that the effects on particle dispersion by the spanwise vortex structures were prominent. The new behaviors of particle dispersion were also observed during the evolution of the flow field, i.e. the transitional phenomenon of particle dispersion occurs for the particles with small and intermediate Stokes numbers.     

Electronic properties and stabilities of methoxy-substituted Lindqvist polyoxometalates [Nb2W4019CH3]3- by DFT

The electronic properties and stabilities of five [Nb2W4O18OCH3]3-isomers have been investigated using a density functional theory method.The results show that the isomer with the methoxy group occupying a bridging position between two tungsten atoms(two tungsten atoms in the plane that contains two niobium atoms) in the [Nb2W4O18OCH3]3-framework is the most stable isomer in acetonitrile.The stability of the one-electron-reduced isomers changes little.The most stable one-electron-reduced isomer has the methoxy group occupying a bridging position between niobium atoms in the [Nb2W4O18OCH3]4-framework.The M-Ob(M = Nb,W;b denotes bridging) bond lengths in anions in which the metal atoms are connected by a methoxy group are longer than those in [Nb2W4O19]4-.The highest occupied molecular orbitals(HOMO) in [Nb2W4O19]4-mainly delocalize over the bridging oxygen atoms of two niobium atoms and two tungsten atoms located in the equatorial plane,and the bridging oxygen atoms on the axial surface.The lowest unoccupied molecular orbitals(LUMO) of [Nb2W4O19]4-are mainly concentrated on the tungsten atoms and antibonding oxygen atoms.Methoxy substitution modifies the electronic properties of the [Nb2W4O18OCH3]3-isomers.The HOMOs in the five isomers formally delocalize over the bridging oxygen atoms,which are distant from the surface containing the methoxy group and four metal atoms.The LUMOs delocalize over the d-shells of the four metal atoms that are close to the methoxy group,and the p-orbitals of oxygen.One-electron reduction occurred at the tungsten atoms,not the niobium atoms.     

Structures and Properties of Composite Yarns of Filaments and Wool Staple Fibers

More and more composite yarns of filament and wool staple fiber have been applied to develop the new type of fabrics. However, the great difference in yarn structures between the composite yarns and conventional staple yarns does affect the properties of yarns and fabrics. In this paper, it has been studied that the differences of the composite yarn properties of tensile, bending rigidity, torsional rigidity, the hairiness and irregularity etc.     

喹诺酮药物及其金属配合物研究进展

本文综述了喹诺酮类抗菌药物的发展历程和喹诺酮金属化合物的配位结构和活性等方面的研究现状,展望了此类研究的发展趋势。     

南方菟丝子水溶性成分的研究

采用Sephadex LH-20、RP-18反相柱、MCI和硅胶层析方法对南方菟丝子全草的化学成分进行分离纯化，运用现代波谱技术鉴定TZ个化合物：表儿茶素、刺五加-O-β—D-葡萄糖甙和Roseoside I。     

混合结构建筑温度收缩应力的近似计算

目前国内的混合结构建筑，由于温度变化以及材料伸缩等原因引起的墙体裂缝现象较为普遍。根据混合结构房屋构件之间的相互约束以及协同工作的关系，文章提出了温度收缩应力和变形的近似计算方法。计算结果表明，与现场实测的结果吻合较好，计算公式可供工程实践参考。     

沉降观测中被测建构筑物可视为基本稳定的判定

详细介绍了沉降观测中被测建构筑物可视为基本稳定的判定方法,提出了在沉降观测中应注意的事项。     

焊接结构及其维修的可靠性分析

本文以马尔科夫链理论研究了焊缝中裂纹的随机扩展过程,并在此基础上分析了焊缝的补焊问题,同时提出了“当量运行次数”的概念.对于工程中可能进行多次维修的结构,文中给出了损伤的稳态分布。最后用优化理论分析了最大经济效益意义上的维修方案。