Magnetic measurements and spectral studies on copper(II) complexes of semicarbazones derived from isatin,benzoin and 2-hydroxy-naphthaldehyde

Summary The preparation and spectral properties of five copper(II) complexes of semicarbazones, derived from 2-hydroxy-naphthaldehyde (NPSCZ), benzoin (BZSCZ) and isatin (ISSCZ) are described. I.r., electronic, e.s.r. ¹H and ¹³C n.m.r. spectra show that the semicarbazone's coordination is distorted trigonal bipyramidal for [Cu(BZSCZ-2H)(H₂O)], distorted tetragonal pyramidal for [Cu(NPSCZ)₂](ClO₄)₂ and dimeric for the other three complexes.     

一类弱耗散Camassa-Holm方程局部强解的适定性及弱解的存在性

使用Pseudoparabolic正则化方法和从弱耗散Camassa-Holm方程自身导出的估计式,在Sobolev空间Hs(R)(s3/2)中,证明了该Camassa-Holm方程解的局部适定性.同时给出了一个在空间Hs(R)(1s2\3)中确保该方程弱解存在的充分条件.     

Equilibrium spin current induced by spin-orbital interaction in a quantum dot system

We report a theoretical study of the equilibrium spin current flowing in a quantum dot system. Two electrodes are the two-dimensional electron gas with Rashba or Dresselhaus spin-orbital interaction. By using the Keldysh Green's function technique, we demonstrated that a nonzero spin current can flow in the system without bias. At the weak coupling between electrodes and the quantum dot, the spin current is approximately proportional to the cross product of two average pseudo-magnetizations in two electrodes, which agrees with the result of the linear response theory; whereas at the opposite case, the strong coupling between the quantum dot and electrodes can lead to a non-sinusoidal behavior of the equilibrium spin current. These behaviors of the equilibrium spin current are similar to the Josephson current.     

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In this paper the local functional limit theorem for increments of a Brownian motion is derived with large and small deviations, and the local functional convergence rate for increments of Brownian motion in Holder norm with respect to (r,p)capacity is estimated.     

芪参益气滴丸治疗心血管疾病的计算药理学研究

利用计算药理学方法研究了中药芪参益气滴丸中含1729个化合物在化学空间分布,结果表明大部分化合物具有较好的类药性质．利用分子对接方法研究了1729个与26个心血管疾病相关的公认靶标的相互作用及它们在靶空间的分布,阐明了芪参益气滴丸抗血管疾病的可能作用机理及活性分子．     

Construction of interesting organic supramolecular structures with synthons cooperation in the cocrystals of 1H-benzotriazole and hydroxybenzoic acids

Multifunctional molecules are capable of assembling via different supramolecular synthons,or hydrogen bond motifs,between the same or different functional groups,leading to the possibility of cocrystal.Utilization of the interplay of dimensionality(1-D,2-D and 3-D),orientation of functional groups of the building blocks,influence of rigid/flexible linking groups,and weak interactions provides an interesting route for the creation of novel supramolecular architectures in the crystal lattice.N-unsubstituted 1H-benzotriazole and carboxylic acid,being self-complementary molecules,offer a broad scope of study of binary compounds based on the complementary combination of H-bonding/donating sites.We report here the construction of three extended molecular networks in cocrystals of the carboxylic acid group of the acid and the 1H-benzotriazole triazole moiety.We have been able to identify four major supramolecualr synthons that would be helpful in the prediction of structural motifs for these kinds of studies.Interestingly,these heterosynthons are strikingly similar,to those of the homosynthons of the individual functional groups.The nature of the aza groups helps to enhance the overall volume of the crystal lattice thus leading to the formation of various supramolecular assemblies.Thermal stability of these compounds has been investigated by thermogravimetric analysis(TGA) of mass loss.     

A modified highly precise direct integration method for a class of linear time-varying systems

It is always a bottleneck to design an effective algorithm for linear time-varying systems in engineering applications.For a class of systems,whose coefficients matrix is based on time-varying polynomial,a modified highly precise direct integration(VHPD-T method)was presented.Through introducing new variables and expanding dimensions,the system can be transformed into a timeinvariant system,in which the transfer matrix can be computed for once and used forever with a highly precise direct integration method.The method attains higher precision than the common methods(e.g.RK4 and power series)and high efficiency in computation.Some numerical examples demonstrate the validity and efficiency of the method proposed.     

The best approximation theorems and variational inequalities for discontinuous mappings in Banach spaces

We discuss Ky Fan's theorem and the variational inequality problem for discontinuous mappings f in a Banach space X. The main tools of analysis are the variational characterizations of the metric projection operator and the order-theoretic fixed point theory. Moreover, we derive some properties of the metric projection operator in Banach spaces. As applications of our best approximation theorems, three fixed point theorems for non-self maps are established and proved under some conditions. Our results are generalizations and improvements of various recent results obtained by many authors.     

Synthesis of Fe3O4, Fe2O3, Ag/Fe3O4 and Ag/Fe2O3 nanoparticles and their electrocatalytic properties

Two important iron oxides:Fe3O4 and Fe2O3,as well as Fe3O4 and Fe2O3 nanoparticles mingling with Ag were successfully synthesized via a hydrothermal procedure.The samples were confirmed and characterized by X-ray diffraction(XRD),and X-ray photoelectron spectroscopy(XPS).The morphology of the samples was observed by transmission electron microscopy(TEM).The results indicated Fe3O4,Fe2O3,Ag/Fe3O4 and Ag/Fe2O3 samples all were nanoparticles with smaller sizes.The samples were modified on a glassy carbon electrode and their elctrocatalytic properties for p-nitrophenol in a basic solution were investigated.The results revealed all the samples showed enhanced catalytic performances by comparison with a bare glassy carbon electrode.Furthermore,p-nitrophenol could be reduced at a lower peak potential or a higher peak current on a glassy carbon electrode modified with Ag/Fe3O4 or Ag/Fe2O3 composite nanoparticles.     

Computational pharmacological studies on cardiovascular disease by Qishen Yiqi Diwan

Computational pharmacological methods were used to study the distribution of 1729 compounds contained in a Chinese medicine, Qishen Yiqi Diwan, in chemical space. The results show that most of these compounds have good drug-like properties. Molecular docking was used to study the interactions between 1729 compounds of Qishen Yiqi Diwan and 26 drug targets related to cardiovascular disease and the distribution of 1729 compounds in drug-target space. The results may shed light on the action mechanism and the search for the active compounds in Qishen Yiqi Diwan.