π-π Stacking, Hydrogen Bonding and Magnetic Coupling Mechanism on a Mono-nuclear Cu^Ⅱ Complex

A new mono-nuclear CuII complex [Cu（DPP）（DP）Br]（ClO4）H2O （DPP = 2-（3,5- dimethyl-1H-pyrazol-1-yl）-1,10-phenanthroline, DP = 3,5-dimethyl-1H-pyrazole） has been syn- thesized with 2-（3,5-dimethyl-1H-pyrazol-1-yl）-1,10-phenanthroline and 3,5-dimethyl-1H-pyrazole as ligands, and its crystal structure was determined by X-ray crystallography. The crystal is of monoclinic system, space group P21/c with a = 13.765（2）, b = 17.044（3）, c = 10.9044（16）, β= 97.112（2）°, V = 2538.5（6）3, Z = 4, C22H24BrClCuN6O5, Mr = 631.37, Dc = 1.652 g/cm3, F（000） = 1276 and μ= 2.585 mm-1. In the crystal, DPP functions as a tridentate ligand and CuII ions assume a distorted square pyramidal geometry with Br atom lying on the apex, and at the same time, there is π-π stacking between adjacent complexes, which deals with two 1,10-phenanthroline plane rings. In addition to the π-π stacking, there are C-H···Br non-classic hydrogen bonds between adjacent complexes. The theoretical calculations reveal that the π-π stacking and C-H···Br non-classic hydrogen bond result in a weak anti-ferromagnetic interaction with 2J = -5.34 cm-1 and a weak ferromagnetic 2J = 5.92 cm-1, respectively. The magnetic coupling sign from the π-π stacking could be explained with McConnell I spin-polarization mechanism.

Roll System and Stock's Multi-parameter Coupling Dynamic Modeling Based on the Shape Control of Steel Strip

The existence of rolling deformation area in the rolling mill system is the main characteristic which dis- tinguishes the other machinery. In order to analyze the dynamic property of roll system＇s flexural deformation, it is necessary to consider the transverse periodic movement of stock in the rolling deformation area which is caused by the flexural deformation movement of roll system simul- taneously. Therefore, the displacement field of roll system and flow of metal in the deformation area is described by kinematic analysis in the dynamic system. Through intro- ducing the lateral displacement function of metal in the deformation area, the dynamic variation of per unit width rolling force can be determined at the same time. Then the coupling law caused by the co-effect of rigid movement and flexural deformation of the system structural elements is determined. Furthermore, a multi-parameter coupling dynamic model of the roll system and stock is established by the principle of virtual work. More explicitly, the cou- pled motion modal analysis was made for the roll system. Meanwhile, the analytical solutions for the flexural defor- mation movement＇s mode shape functions of rolls are discussed. In addition, the dynamic characteristic of the lateral flow of metal in the rolling deformation area has been analyzed at the same time. The establishment ofdynamic lateral displacement function of metal in the deformation area makes the foundation for analyzing the coupling law between roll system and rolling deformation area, and provides a theoretical basis for the realization of the dynamic shape control of steel strip.

The Coupling Coordination Evolution Research of Economy - Ecology - Society System in Xinjiang：Based on the Interaction Perspective of Water Resources

Under the water resources perspective,coupling coordination of economy-ecology-society system in Xinjiang was taken as the research object. By building the coupling evaluation index system of the water resources-economy-ecology-society system,quantitative evaluation and analysis of the coupling coordination of the water resources-economy-ecology-society system from 2001 to 2014 were conducted. The results showed that benefit indexes of economic system and social system grew rapidly,while benefit indexes of water resources system and ecosystem fluctuated smoothly from 2001 to 2014; coupling state of the whole system was at rival stage,and coupling coordination was reluctant coordination type,and the coupling index was slightly higher than the coupling coordination index. Moreover,it showed that the more the coupling systems,the lower indices of coupling and the coupling coordination.

Population dynamics of Acartia pacifica (Copepoda:Calanoida):the importance of benthic-pelagic coupling

The seasonal occurrence of Acartia pacifica （ Copepoda： Calanoida） and their resting eggs in the sediment of Xiamen Bay were documented between October 2002 and September 2003. The numher of viable eggs in the sediment increased from January to May with the increase in the numher of planktonic females. When the population ofA. pacifica disappeared from the water cohinm, the number of eggs in the sediment began to decrease and reached a low value due to lack of input. The peak of nauplii abundance occurred when the hatching potential of eggs from the sediment was high under the natural environment from February to June. The hatching of resting eggs of A. pacifica was essentially temperature-dependent after suspension, while photoperied regimes had no significant effect on the hatching. The mean density of subitaneeus eggs was 1. 122 0 g/cm^3 with a standard deviation （SD） of 0. 000 2 g/cm^3. The mean density of diapause eggs was 1. 151 2 g/cm^3 with a SD of 0.000 1 g/cm^3. The sinking rates of subitaneons eggs ranged from 19.55 to 26.17 m/d, while those of diapause eggs ranged from 30.29 to 31.28 m/d. The comparison of the egg deposition time and egg hatching time suggested that in most cases virtually all subitaneous eggs of A. pacifica would settle to the bottom before their hatching even though the eggs have high potential to hatch. The evidence was provided that the seasonal dynamics of A. pacifica is accompanied by benthic-pelagic coupling.

Geometric nonlinear formulation for thermal-rigid-flexible coupling system

This paper develops geometric nonlinear hybrid formulation for flexible multibody system with large deformation considering thermal effect. Different from the conventional formulation, the heat flux is the function of the rotational angle and the elastic deformation, therefore, the coupling among the temperature, the large overall motion and the elastic deformation should be taken into account. Firstly, based on nonlinear strain-displacement relationship, varia- tional dynamic equations and heat conduction equations for a flexible beam are derived by using virtual work approach, and then, Lagrange dynamics equations and heat conduction equations of the first kind of the flexible multibody system are obtained by leading into the vectors of Lagrange multiplier associated with kinematic and temperature constraint equations. This formulation is used to simulate the thermal included hub-beam system. Comparison of the response be- tween the coupled system and the uncoupled system has re- vealed the thermal chattering phenomenon. Then, the key parameters for stability, including the moment of inertia of the central body, the incident angle, the damping ratio and the response time ratio, are analyzed. This formulation is also used to simulate a three-link system applied with heat flux. Comparison of the results obtained by the proposed formulation with those obtained by the approximate nonlinear model and the linear model shows the significance of con- sidering all the nonlinear terms in the strain in case of large deformation. At last, applicability of the approximate non- linear model and the linear model are clarified in detail.

Morphological stability analysis of vesicles with mechanical-electrical coupling effects

Using a recently established liquid crystal model for vesicles, we present a theoretical method to analyze the morphological stability of liquid crystal vesicles in an electric field. The coupled mechanical-electrical effects associated with elastic bending, osmotic pressure, surface tension, Max- well pressure, as well as flexoelectric and dielectric proper- ties of the membrane are taken into account. The first and second variations of the free energy are derived in a com- pact form by virtue of the surface variational principle. The former leads to the shape equation of a vesicle embedded in an electric field, and the latter allows us to examine the stabil- ity of a given vesicle morphology. As an illustrative exam- ple, we analyze the stability of a spherical vesicle under a uniform electric field. This study is helpful for understanding and revealing the morphological evolution mechanisms of vesicles in electric fields and some associated phenomena of cells.

A Facile Stereospecific Synthesis of 1, 3-Enynylsulfides via Sonogashira Coupling of （E）-a-Iodovinyl Sulfides with 1-Alkynes

（E）-α-Iodovinyl sulfides 1 underwent the Sonogashira coupling reactions with terminal alkynes 2 in piperidine at room temperature in the presence of 5 mol % of Pd（PPh3）4 and 10 mol % of CuI to afford the corresponding 1, 3-enynylsulfides 3 stereospecifically in high yields.

A facile stereospecific synthesis of (Z)-2-sulfonyl-substituted 1,3-enynes via Sonogashira coupling of (E)-α-iodovinyl sulfones with 1-alkynes

（E）-α-Iodovinyl sulfones 1 underwent the Sonogashira coupling reactions with terminal alkynes 2 in piperidine at room temperature in the presence of 5 mol% of Pd（PPh3）4 and 10 mol% of CuI to stereospecifically afford the corresponding （Z）-2-sulfonyl-substituted 1,3-enynes 3 in high yields.

Influence of Rashba spin–orbit coupling on Josephson effect in triplet superconductor/two-dimensional semiconductor/triplet superconductor junctions

We study theoretically Josephson effect in a planar ballistic junction between two triplet superconductors with pwave orbital symmetries and separated by a two-dimensional(2D)semiconductor channel with strong Rashba spin–orbit coupling.In triplet superconductors,three types of orbital symmetries are considered.We use Bogoliubov–de Gennes formalism to describe quasiparticle propagations through the junction and the supercurrents are calculated in terms of Andreev reflection coefficients.The features of the variation of the supercurrents with the change of the strength of Rashba spin–orbit coupling are investigated in some detail.It is found that for the three types of orbital symmetries considered,both the magnitudes of supercurrent and the current-phase relations can be manipulated effectively by tuning the strength of Rashba spin–orbit coupling.The interplay of Rashba spin–orbit coupling and Zeeman magnetic field on supercurrent is also investigated in some detail.

π-π Stacking and Magnetic Coupling Mechanism on a Mono-nuclear Mn(Ⅱ) Complex

A new mono-nuclear Mn（Ⅱ） complex [Mn（MPT）2（NCS）（HOCH3）]ClO4（MPT = 2-methoxyl-1,10-phenanthroline） has been synthesized with 2-methoxyl-1,10-phenanthroline and thiocyanate anion as ligands,and its crystal structure was determined by X-ray crystallography.The crystal data：monoclinic system,space group P21/c with a = 12.8849（17）,b = 15.684（2）,c = 14.2703（19） ,β = 92.126（2）°,V = 2881.9（7） 3,Z = 4,C28H24ClMnN5O7S,Mr = 664.97,Dc = 1.533 g/cm3,F（000） = 1364 and μ = 0.679 mm-1.In the crystal,MPT functions as a bidentate ligand and Mn（Ⅱ） ion assumes a distorted octahedral geometry.In the crystal there are two types of π-π stacking interactions among the adjacent complexes,which involves 1,10-phenanthroline rings.The theoretical calculations reveal that the two types of π-π stacking resulted in a weak anti-ferromagnetic coupling with 2J =-14.68 cm-1 and a weak ferromagnetic coupling with 2J = 0.70 cm-1,respectively.The theoretical calculations also reveal that there are both spin polarization and spin delocalization in the two π-π stacking systems,and the magnetic coupling signs are unable to explain with McConnell I spin-polarization mechanism.

3-D Animation as Applied to the Solving of Coupling Relations in the 6-DOF Parallel Robot

How to solve the coupling relations in a 6 - DOF parallel robot quickly and accurately within the limits of realtime control is a critical problem. In traditional analytic method, the complicated mathemtical model must first be constructed and then solved by programming.Obviously, this method is not very practical. This paper,therefore, proposes a new way of approach with a new method using 3- D animation for the solving of coupling relations in the 6 - DOF parallel robot. This method is much simpler and its solving accuracy approaches that of the more complicated analytic method.

Photo-induced Coupling Reaction of 1,1-Diphenyl-2,2-dicyanoethylene with 10-Methyl-9,10-dihydroacridine

Diphenyl-2, 2-dicyanoethylene reacts with 10-methyl-9, 10-dihydroacridine in deaerated acetonitrile under irradiation with l>320 nm to give the coupling product 1, 1-diphenyl-1-(10-methyl-9-acridinyl)-2, 2-dicyanoethane, which has been characterized by X-ray crystallographic, MS and NMR analyses.

Coupling reaction mechanism of 2-(2-bromo-4-fluorophenyl)-1-cyclohexen-1-yl trifluoromethane-sulfonate

The detailed mechanism of CuI-catalyzed C-O intramolecular coupling reaction of 2-（2-bromo-4-fluoro-phenyl）-l- cyclohexen-1-yl trifluoromethane-sulfonate was studied with the density functional theory （DFT）. The geometries of the reactants, transition states, intermediates and products were optimized at the B3LYP/6-31 ＋G＊ level. Meanwhile, the single point energy of species involved in gas and solvent at B3LYP/6-31 I＋G＊ level was individually investigated. Polarizable continuum models （PCM） were applied to the dioxane and water solutions at the same level, respectively. Results show that the rate-limiting step, M3→TS3, does not change in different solutions. However, the activation energy in a dioxane solution is lower than that in water, which explains the previous experimental results. Compared with the non-catalyzed reaction process, the activation energy of the rate- limiting step is reduced by 56.53 kJ mo1-1 in gas and 44.84 kJ mol-l in solvent, demonstrating a high catalytic efficiency of CuI.

The Intramolecular Coupling Reaction of 1,6-Bis(1-Alky1-2-Methylindol-3-yl)hexane-1,6-dione Induced by Low-valent Titanium

The intramolecular reductive coupling reaction of 1,6-bis(subshtuted indolyl)hexane-1,6-dione using zero-valent titanium reagent as catalyst proderes the novel photochromic 1,2-diheterocyclic cyclohexenes 2, together with unexpected compounds 3

一类广义Hirota-Satsuma Coupled KdV系统的新精确行波解

利用新近提出的(G′/G)-展开法,借助齐次平衡方法的思想原则和吴文俊消元法,对一类Hirota-Sat-suma Coupled KdV方程进行研究,获得了该系统的含有多参数的双曲函数、三角函数和有理函数表示的三种形式的精确通解.从求方程组精确行波解的过程看,此方法不仅是求解非线性发展方程行波解的一种简捷和有效的方法,而且也可以用来求解其他的许多非线性发展方程的精确行波解.

Synchronization of three homodromy coupled exciters in a non-resonant vibrating system of plane motion

In this paper, the synchronization problem of three homodromy coupled exciters in a non-resonant vibrating system of plane motion is studied. By introducing the average method of modified small parameters, we deduced dimensionless coupling equation of three exciters, which converted the problem of synchronization into that of the existence and stability of zero solutions for the average differential equations of the small parameters. Based on the dimensionless coupling torques and characteristics of the cor- responding limited functions, the synchronization criterion for three exciters was derived as the absolute value of dimensionless residual torque difference between arbitrary two motors being less than the maximum of their dimensionless coupling torques. The stability criterion of its synchronous state lies in the double-condition that the inertia coupling matrix is positive definite and all its elements are positive as well. The synchronization determinants are the coefficients of synchronization ability, also called as the general dynamical symmetry coefficients. The double-equilibrium state of the vibrating system is manifested by numeric method, and the numeric and simulation results derived thereof indicate the indispensable and crucial role the structural parameters of the vibrating system play in the stability criterion of synchronous operation. Besides, by adjusting its structural parameters, the elliptical motion of the vibrating system successfully met the requirements in engineering applications.

Natural convection flow of a couple stress fluid between two vertical parallel plates with Hall and ion-slip effects

The Hall and ion-slip effects on fully developed electrically conducting couple stress fluid flow between vertical parallel plates in the presence of a temperature dependent heat source are investigated. The governing non-linear partial differential equations are transformed into a system of ordinary differential equations using similarity transformations. The resulting equations are then solved using the homotopy analysis method （HAM）. The effects of the magnetic parameter, Hall parameter, ion-slip parameter and couple stress fluid parameter on velocity and temperature are discussed and shown graphically

Coupled Fixed Point for (<i>&alpha;</i>, <i>&Psi;</i>)-Contractive in Partially Ordered Metric Spaces Using Compatible Mappings

In this paper, first we introduce notions of (α, Ψ)-contractive and (α)-admissible for a pair of map and prove a coupled coincidence point theorem for compatible mappings using these notions. Our work extends and generalizes the results of Mursaleen et al. [1]. At the end, we will provide an example in support of our result.

2D Coupled 3D:A New Numerical Model for Dual - Structured - Aquifer System

This paper points out that a successful numerical simulation is to construct a correct conceptional model which is very dose to the natural condition. A new model, two dimensional coupled three dimensional model (2D -3D ) is presented in the Present paper,which is the most suitable one for the dual - structured - aquifer system. An example of Wenyinghu area is shown.By using the 2D-3D model, a satisfied result of the simulated area is achieved.

西门子S7-1200在安检系统中的设计与应用

以西门子S7-1200为核心控制器,在系统内部通过以太网连接上位机和HMI触摸屏,在系统外部通过PROFINET进行组态,实现了安检系统的报文传输和逻辑状态控制和监控。为了确保不同系统的电气和数据安全,增加了即可以实现电气和网络的隔离又可实现数据的交换的电气/网络隔离模块PN/PN COUPLE,增加HMI触摸屏可以实现系统状态控制和监控。经过实际应用环境中的大量数据测试,证明本设计运行稳定且高效,满足使用要求。