不同围压实验变形物质中的微观滑移方式标志研究

通过不同围压条件下岩石破裂粘滑或稳滑实验样品的微观对比观测研究，分析了压力对滑移方式标志的可能影响，提出在不同围压条件下，变形物质中赋存的微观粘滑或稳滑的识别标志，为类似围压条件下形成的天然样品微观滑移方式标志的识别提供了实验判据。     

不同产地杜仲叶中金属元素的含量及其变化趋势分析

采用火焰原子吸收光谱法测定了陕西杨凌、陕西安康和河南灵宝产杜仲叶中Fe、Cu、Mg、Ca、Mn、Zn 6种金属元素的含量,并对其含量的变化趋势进行了分析比较.结果表明,杜仲叶中含有丰富的人体必需金属元素,且不同产地来源的样品中金属元素的含量有明显差异,其中尤以Fe、Zn、Mn和Mg含量差异最大,Cu和Ca的差异不明显....     

手性络合物[M(bpy)_2(phen)]~(2+)和[M(phen)_2(bpy)]~(2+)(M=Ru,Os)圆二色谱的理论解析

应用密度泛函理论,在B3LYP/LanL2DZ水平上对C2对称性的混配络合物[M(bpy)2(phen)]2+和[M(phen)2(bpy)]2+(M=Ru、Os;bpy=2,2'-bipyridine;phen=1,10-phenanthroline)在水溶液中的几何构型进行了优化,并用TDDFT/B3LYP方法和相同的基组计算了其激发能、旋转强度和振子强度,绘制了相应的圆二色谱(CD).在分析有关跃迁性质的基础上,对实验圆二色谱的谱带进行了明确的解析和指认,同时讨论了短波区激子裂分的规律性.结果表明:四种络合物在长波区(λ>320nm)的CD吸收带主要是由d-π*跃迁产生的荷移谱带;短波区(λ<320nm)则是配体上平行于长轴的π-π*跃迁产生的激子耦合带,且对于Λ构型表现为正的手性激子裂分.其中,[M(bpy)2(phen)]2+只显示出正负两个激子带,分属于联吡啶和邻菲咯啉配体;而[M(phen)2(bpy)]2+则有三个激子带,其中左侧的两个(一负一正)属于邻菲咯啉配体,右侧的正带则属于联吡啶配体.此外,尽管激子耦合属于远程相互作用,但用TDDFT计算的激子裂分样式仍是正确的.这些结论对于深入理解有...     

由一个实例引发的对莫尔理论和双剪统一强度理论的改进

以某型火炮身管设计为例,采用双剪统一强度理论对火炮身管的壁厚进行了设计。然而,在火炮身管强度计算中得出了如下结论:当身管外径平方与内径平方之比小于1+b时,若材料的其它参数不变,材料的压缩屈服极限越大,其所能承受内压的能力越差,b为双剪统一强度理论中的参数。这是有悖常理的。针对该现象本文考虑各主应力的正负取值情况,对库伦—莫尔理论和双剪统一强度理论的改进问题进行了探讨。并应用改进的双剪统一强度理论再次计算,得到了满意的结果。     

Collision efficiency of two nanoparticles with different diameters in Brownian coagulation

The collision efficiency of two nanoparticles with different diameters in the Brownian coagulation is investigated. The collision equations are solved to obtain the collision efficiency for the dioctyl phthalate nanoparticle with the diameter changing from 100 nm to 750 nm in the presence of the van der Waals force and the elastic deformation force. It is found that the collision efficiency decreases as a whole with the increase of both the particle diameter and the radius ratio of two particles. There exists an abrupt increase in the collision efficiency when the particle diameter is equal to 550 nm. Finally, a new expression is presented for the collision efficiency of two nanoparticles with different diameters.     

Synthesis and characterization of aromatic polyesters with dicyanovinyl substituents

The synthesis, characterization, and structure—property relations of aromatic polyesters with dicyanovinyl substituents is presented. Two comparable series of polyesters based on 3,4-dihydroxybenzylidenemalononitrile and 3,4-dihydroxy-5-methoxybenzylidenemalononitrile were prepared. As aromatic diacid components, terephthalic acid, phenylterephthalic acid, isophthalic acid, and 2-phenylisophthalic acid were used. The polyesters were prepared by solution polycondensation. GPC investigations revealed the existence of substantial amounts of defined cyclic products. These cycles could be isolated by preparative GPC. The polyesters are soluble in common low boiling organic solvents, particularly the phenyl-substituted ones. The polyesters are amorphous and have glass transition temperatures between 140 and 170°C. The absorption maxima are in the 306–322 nm range. The cut-off wavelength is between 400 and 428 nm. The polyesters with methoxy substitutent have generally the absorptions at longer wavelength. The refractive index of thin films of these polyesters were between 1.61 and 1.63 at 632.8 nm. © 1993 John Wiley & Sons, Inc.     

Synthesis,structural analysis,and self-assembly of phenylene ethynylene oligomers and their ?F, ?CF3, and ?CH3 substituted derivatives

Oligomers consisting of aromatic building blocks separated by alkynyl units were synthesized by Sonogashira cross-coupling of aryl halides with terminal acetylenes. Strong electron acceptors such as  F and  CF₃ and weak electron donors like  CH₃ were placed as substituents on one of the benzene rings. Acetyl-protected sulfhydryl groups were attached to one end of these molecules to promote their self-organization on gold surfaces. The electron-transport properties of such self-assembled monolayers (SAMs) are highly sensitive to the local order of the molecules in the solid state. Single crystals were analyzed by X-ray diffraction experiments that revealed structural details that could lead to a better understanding of the electron-transport properties. The unsymmetrical substitution of the aromatic rings by electron-active groups in the ortho-, meta-, or para positions resulted in changes of such molecular parameters as bonding and torsion angles and planarity. These parameters, in turn, can affect the angle of the molecular attachment to a gold substrate and the density of the resulting SAMs. Patterned SAMs of some of these molecules and comparison alkane thiols were obtained on gold by microcontact printing or flooding. The SAM thickness was determined by spectroscopic ellipsometry. Surface potential differences between adjacent SAMs or between SAMs and the gold substrate were measured by scanning surface potential microscopy under ambient conditions. © 2003 Wiley Periodicals, Inc. J Polym Sci Part A: Polym Chem 42: 541–550, 2004     

Effect of substituent distribution on water solubility of O-methylcellulose

The effect of substituent distribution on the water solubility of O-methylcellulose (MC) was re-examined to elucidate the lower limit of the degree of substitution (DS) in water-soluble MC. To this end, a series of 2,3-MCs which are regioselectively substituted at the C-2 and C-3 hydroxyl groups were prepared by homogeneous methylation. It was found that the lower limit for the DS value of water-soluble 2,3-MC was almost the same as that for MCs having even distributions of substituents along the cellulose chain as well as in the anhydroglucose units. This revised version was published online in August 2006 with corrections to the Cover Date.     

TheK-theory of AF embeddings of the rational rotation algebras

Our main result is the construction of an embedding ofC(T²) into an approximately finite-dimensionalC ^*-algebra which induces an injection onK ₀(C(T²)). The existence of this embedding implies that Cech cohomology cannot be extended to a stable, continuous homology theory forC ^*-algebras which admits a well-behaved Chern character. Homotopy properties ofC ^*-algebras are also considered. For example, we show that the second homotopy functor forC ^*-algebras is discontinuous. Similar embeddings are constructed for all the rational rotation algebras, with the consequence that none of the rational rotation algebras satisfies the homotopy property called semiprojectivity.     

On bornologicalC $$\overline V $$ (X) spaces

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