Auxiliary Software for Defining the Parameters of the Structural Organization of a Complex System

The developed auxiliary software serves to simplify, standardize and facilitate the software loading of the structural organization of a complex technological system, as well as its further manipulation within the process of solving the considered technological system. Its help can be especially useful in the case of a complex structural organization of a technological system with a large number of different functional elements grouped into several technological subsystems. This paper presents the results of its application for a special complex technological system related to the reference steam block for the combined production of heat and electricity.

Input Structure Design for Structural Controllability of Complex Networks

This paper addresses the problem of the input design of large-scale complex networks.Two types of network components,redundant inaccessible strongly connected component(RISCC)and intermittent inaccessible strongly connected component(IISCC)are defined,and a subnetwork called a driver network is developed.Based on these,an efficient method is proposed to find the minimum number of controlled nodes to achieve structural complete controllability of a network,in the case that each input can act on multiple state nodes.The range of the number of input nodes to achieve minimal control,and the configuration method(the connection between the input nodes and the controlled nodes)are presented.All possible input solutions can be obtained by this method.Moreover,we give an example and some experiments on real-world networks to illustrate the effectiveness of the method.

Generalized response displacement methods for seismic analysis of underground structures with complex cross section

The response displacement method(RDM)is recommended for the seismic analysis of underground structures in the transverse direction for many codes,including bases for design of structures-seismic actions for designing geotechnical works(ISO 23469)and code for seismic design of urban rail transit structures(GB 50909-2014).However,there are some obvious limitations in the application of RDM.Springs and the shear stress of the soil could be approximately evaluated for the structures having a simple cross section,such as rectangular and circular structures.It is necessary to propose simplified seismic analysis methods for structures with complex cross sections.This paper refers to the idea of RDM and proposes three generalized response displacement methods(GRDM).In GRDM1,a part of the soil surrounding a structure is selected to generate a generalized underground structure with a rectangular cross section,and the same analysis model as RDM is applied to analyze the responses of the structure.In GRDM2,a hollow soil model without a generalized structure is used to compute the equivalent load caused by the relative displacement of the soil,and the soil-structure interaction model is applied to calculate the responses of the structure.In GRDM3,a continuous soil model is applied to compute the equivalent load caused by the relative displacement and shear stress of the soil,and the soil-structure interaction model is applied to analyze the responses of the structure,which is the same as the model used in GRDM2.The time-history analysis method(THAM)is used to evaluate the accuracy of the proposed simplified methods.Results show that the error of GRDM1 is about 20%,while the error is only 5%for GRDM2 and GRDM3.Among the three proposed methods,GRDM3 has obvious advantages regarding calculation efficiency and accuracy.Therefore,it is recommended to use GRDM3 for the seismic response analysis of underground structures that have conventional simple or complex cross sections.

Probing electronic structures of transition metal complexes using electron paramagnetic resonance spectroscopy

Electron paramagnetic resonance(EPR)or electron spin resonance(ESR)has been widely employed to characterize transition metal complexes.However,because of the high degree of complexity of transition metal EPR spectra,how to extract the underlying electronicstructure information inevitably poses a major challenge to beginners,in particular for systems with S>1/2.In fact,the physical principles of transition metal EPR have long been well-established and since 1970s a series of dedicated voluminous monographs have been published already.Not surprisingly,they are not appropriate stating points for novices to grasp a panorama of the profound theory prior to scrutinizing in-depth references.The present review aims to fill this gap to provide a perspective of transition metal EPR and unveil some peculiar subtleties thereof on the basis of our recent work.

MEASURING STRUCTURE COMPLEXITY OF UML CLASS DIAGRAMS

To provide system designer a valid measure to evaluate the structure complexityof class diagrams objectively, this letter first proposes a method to transform a class diagramsinto a weighted class dependence graph, then presents a structure complexity measure for classdiagrams based on entropy distance.

A Method for Measuring the Structure Complexity of Web Application

The precise and effective measure results of Web applications not only facilitate good comprehension of them, but also benefit to the macro-management of software activities, such as testing, reverse engineering, reuse, etc. The paper exploits some researches on measuring the structure complexity of Web application. Through a deep analysis of the configuration and objects＇ interactions of Web system, two conclusions have been drawn：① A generic Web application consists of static web page, dynamic page, component and database object; ② The main interactions have only three styles, that is static link, dynamic link and call/return relation. Based on analysis and modeling of the content of a Web page （static or dynamic）, complexity measure methods of both control logic of script and nesting of HTML code are further discussed. In addition, two methods for measuring the complexity of inte〉page navigation are also addressed by modeling the inte〉page navigation behaviors of Web application via WNG graph.

The Role of Special Economic Zones in Enhancing Enterprise’s Export Structures:The Perspective of Industry Complexity

Special economic zones(SEZs)help provide the momentum for China’s economic growth.This paper studies the influence of SEZs on enterprise’s export structures from the perspective of production complexity using data from the China Industry Business Performance Database(CIBPD)collected between 2000 and 2007.We found that enterprises in SEZs have a higher export propensity and volume due to more complexity.Also,enterprises with more complexity outside SEZs show a higher export propensity and volume depending on the number of SEZs near them and the radiation effect of the SEZs.Similarly,high and new-tech industrial development zones perform more prominently in this regard.

Hydrothermal Synthesis and Crystal Structure of a Zinc Complex:[Zn_(2.5)(phen)(BDC)_2(OH)] (phen = 1,10-Phenanthroline, BDC = Benzene-1,4-dicarboxylic Acid)

A metal-organic coordination polymer [ZnE.s（phen）（BDC）2（OH）]2 （phen = 1,10- phenanthroline, BDC = benzene-1,4-dicarboxylic acid） 1 has been hydrothermally synthesized and structurally characterized by single-crystal X-ray diffraction, elemental analyses and IR spectroscopy. The complex crystallizes in the triclinic system, space group PI with a = 11.199（2）, b = 11.593（2）, c = 11.865（3）/A, α= 99.330（1）, β = 111.506（1）, γ = 104.804（1）^o, V= 1328.4（5）A^3, Dc= 1.722 g/cm^3, Z = 1, Mr = 1377.82, F（000） = 692,μ（MoKa） = 2.306 mm^-1, S = 1.093, R= 0.0281 and wR = 0.0756 for 4179 observed reflections （I 〉 2σ（/））. The coordination polyhedron around Zn（II） can be described as a tetrahedron, trigonal bipyramid and octahedron. It is worth noting that the crystal structure of 1 is composed of tetranuclear zinc clusters linked by {ZnO6} units.

Synthesis,Crystal Structure,and Spectral Properties of a Novel Co(II) Complex Containing Imidazole Derivative

A novel imidazole derivative with functional group and π-conjugated system, 1- [trans-4-（4-diethylaminostyryl）phenyl]imidazole （abbreviated as L）, and its Con complex （COCl2L4）2 （Co2C168H184N24Cl4, Mr = 2799.05 ） have been synthesized and the crystal structure of the latter was determined by X-ray diffraction. The crystal is of triclinic, space group PI with a = 8.823（3）, b = 18.799（7）, c =23.065（9） A, α = 77.349（6）, β = 83.128（7）, ）, γ= 80.942（3）°, V = 3671.5（12） A^3, Z = 1, Dc = 1.266 g/cm^3,/z = 0.361 mm^-1 F（000） = 1482, the final R = 0.0587 and wR = 0.1284 for 6562 observed reflections with I 〉 2σ（I）. In the molecular structure of （COCl2L4）2, there are two crystallographically unique units. The Co^Ⅱ atoms are six-coordinated by four N atoms from four imidazole ligands （L） and two Cl atoms to form a distorted octahedral geometry. The optical properties of complex （COCl2L4）2 have been experimentally studied.

Synthesis and Crystal Structure of Zinc(II) Complex with Isonicotinate Containing a Three-dimensional Hydrogen-bond Network

A zinc complex, [Zn(iso)_2(H_2O)_4](iso=C_6H_4NO_2^-), was synthesized and characterized by elemental analysis, thermal analysis and IR spectrum studies. The crystal structure of the complex was determined by X-ray diffraction. The crystal crystallizes in the triclinic system, molecular formula ZnC12H16N2O8, Mr=381.64, space group P with a = 6.338(1), b =6.919(1), c=9.277(1), α=96.28(1), β=104.91(1), γ=112.85(1)°, V=352.12(9)?3, Z=1, Dc=1.80g?cm-3 and F(000)=196, μ =1.791mm-1. The crystal structure was solved by direct methods for final R=0.0204 and Rw=0.0542 for 1258 observed reflections with [Fo>4σ(Fo)]. The crystal structure reveals that zinc ion is trans-octahedral with two pyridyl nitrogens and two aque oxygens at the equational positions and two aqua oxygens at the axial positions. The complex forms a three-dimensional network through intermolecular hydrogen bonds.

Synthesis, Crystal Structure and Antimicrobial Activity of a Novel Ni(II) Complex

A new nickel（Ⅱ） complex, C34H38N8NiO4, has been prepared and characterized by X-ray diffraction analysis. It crystallizes in the monoclinic system, space group P21/c with a = 11.715（5）, b = 12.328（5）, c =11.113（5）A, β= 92.589（5）°, Z = 2, Dc = 1.411 g/cm^3,μ = 0.658 mml, the final R = 0.0427 and wR = 0.1099 for 2229 observed reflections with I 〉 2σ（I）. The complex is a centrosymmetric plane in which nickel（Ⅱ） is coordinated in a regular octahedron to the ligand phenytoin through the nitrogen atoms of ethylenediamine, imine and amine. The complex was valued for its antimicrobial activity against bacterial strands using the agar diffusion method, and found to be active against the four test bacterial organisms. Preliminary screening for antimicrobial activities showed that the title complex is quite active against standard strains of Salmonella species, Staphylococcus aureus, Bacillus pumilus and Eschierichia coli.

Pore Size Distribution of a Tight Sandstone Reservoir and its Effect on Micro Pore-throat Structure: A Case Study of the Chang 7 Member of the Xin’anbian Block, Ordos Basin, China

Pore distribution and micro pore-throat structure characteristics are significant for tight oil reservoir evaluation, but their relationship remains unclear. This paper selects the tight sandstone reservoir of the Chang 7 member of the Xin’anbian Block in the Ordos Basin as the research object and analyzes the pore size distribution and micro pore-throat structure using field emission scanning electron microscopy(FE-SEM), high-pressure mercury injection(HPMI), highpressure mercury injection, and nuclear magnetic resonance(NMR) analyses. The study finds that:(1) Based on the pore size distribution, the tight sandstone reservoir is characterized by three main patterns with different peak amplitudes. The former peak corresponds to the nanopore scale, and the latter peak corresponds to the micropore scale. Then, the tight sandstone reservoir is categorized into three types: type 1 reservoir contains more nanopores with a nanopore-to-micropore volume ratio of 82:18;type 2 reservoir has a nanopore-to-micropore volume ratio of 47:53;and type 3 reservoir contains more micropores with a nanopore-to-micropore volume ratio of 35:65.(2) Affected by the pore size distribution, the throat radius distributions of different reservoir types are notably offset. The type 1 reservoir throat radius distribution curve is weakly unimodal, with a relatively dispersed distribution and peak ranging from 0.01 μm to 0.025 μm. The type 2 reservoir’s throat radius distribution curve is single-peaked with a wide distribution range and peak from 0.1 μm to 0.25 μm. The type 3 reservoir’s throat radius distribution curve is single-peaked with a relatively narrow distribution and peak from 0.1 μm to 0.25 μm. With increasing micropore volume, pore-throat structure characteristics gradually improve.(3) The correlation between micropore permeability and porosity exceeds that of nanopores, indicating that the development of micropores notably influences the seepage capacity. In the type 1 reservoir, only the mean radius and effective porosity have suitable correlations with the nanopore and micropore porosities. The pore-throat structure parameters of the type 2 and 3 reservoirs have reasonable correlations with the nanopore and micropore porosities, indicating that the development of these types of reservoirs is affected by the pore size distribution. This study is of great significance for evaluating lacustrine tight sandstone reservoirs in China. The research results can provide guidance for evaluating tight sandstone reservoirs in other regions based on pore size distribution.

Hydrothermal Synthesis and Crystal Structure of a New Zero-dimensional Complex: [Zn(H_2BPTC)(phen)_2]_n·3nH_2O

A new metal-organic coordination complex [Zn（H2BPTC）（phen）2]n.3nH2O （BPTC = 3,3＇,4,4＇-benzophenone tetracarboxylate, phen = 1,10-phenanthroline） 1 has been obtained from hydrothermal reaction and characterized by elementaj analysis, IR, TG and single-crystal X-ray diffraction. In compound 1, the zinc cation is hexa-coordinated with two carboxylate oxygen atoms from one H2BPTC ligand and four nitrogen atoms from two different phen ligands, showing a slightly distorted octahedral geometry. Crystal data： C41H30N4O12Zn, Mr = 836.06, monoclinic, P21/c, a = 14.2714（9）, b = 16.9386（10）, c = 15.0151（9）A, β = 101.3420（10）^o, V= 3558.8（4）A3 Dc = 1.560 g/cm^3,μ（MoKa） = 0.766 mm^-1, F（000） = 1720, Z= 4, R = 0.0439 and wR = 0.1157 for 4123 observed reflections with I 〉 2 o（I）.

Investigation on the syntheses and structures of Y^(Ⅲ) complexes with ami-nopolycarboxylic acids (Ⅳ)

This paper deals with the structure of the Y^iii complex withaminopolycarboxylic acids, synthesis and struc- tural determinationof the complex (NH_4)[Y^III(edta)(H_2O)_3] ·3 H_2O (edta =ethylenediaminetetraacetic acid). The crystal and molecularstructures of the (NH_4)[Y^III(edta)(H_2O)_3] ·3 H_2O complex havebeen determined by single-crystal X-ray structure analysis. Thecrystal of the complex (NH_4)[Y^III(edta)(H_2O)_3] ·3 H_2O belongsto orthorhombic crystal system and fdd2 space group.

Synthesis, Characterization and Structure of the Dimmer Complex [Ni(TSSB)(phen)H_2O]·C_2H_5OH·0.5H_2O

The title complex [Ni(TSSB)(phen)H2O]?C2H5OH?0.5H2O (C23H26N3NiO6.5S, TSSB = taurine salicylaldehyde Schiff base, phen = 1,10-phenanthroline) has been synthesized by the reaction of taurine salicylaldehyde Schiff base (TSSB), 1,10-phenanthroline and nickel acetate in water-ethanol. Its single-crystal structure was determined by X-ray diffraction method. The crystal belongs to triclinic, space group P1 with a = 1.0562(2), b = 1.1604(2), c = 2.1170(3) nm, α = 103.257(3), β = 96.958(4), γ = 105.179(3)°, Mr = 539.24, V = 2.3917(6) nm3, Z = 4, Dc = 1.498 g/cm3, μ = 0.945 mm-1 and F(000) = 1124. The compound is a one-dimensional network, infinitely extending with hydrogen bonds. The Ni(Ⅱ) is 6-coordinated by one nitrogen and two oxygen atoms from taurine salicylaldehyde Schiff base, two nitrogen from 1,10-phenanthroline and one oxygen from water to form a distorted octahedronal coordination geometry.

Crystal Structure and Luminescence Property of Lanthanide Complexes with 2-Fluorobenzoic Acid and 2,2′-Bipyridine

The two compounds of [Ln（2-FBA）3·2,2＇-bpy ]2（2-FBA = 2-fluorobenzoato, 2,2＇-bpy = 2,2＇-bipyridine, Ln = Eu（1 ）, Dy（2）） were synthesized and their structures were determined by X-ray diffraction method. Crystallized complexes 1 and 2 are isomorphous, monoelinie system with P21/n space group. The two complexes are binuclear molecule with an inversion center. The two lanthanide ions are linked by four bridged 2-FBA ligands and each lanthanide ion is further bonded to one chelated bidentate 2-FBA ligand and one 2,2＇-bipyridine molecule. The coordination number of metal ion is eight. The europium complex exhibits strong red fluorescence. ^5D0→^7Fj（j = 1 - 4） transition emission of Eu^3＋ ion was observed.

Synthesis,Structure and Photoluminescent Property of a Cd-organic Complex [Cd(L)_2(pbda)]_n

A new complex,[Cd（L）2（pbda）]n（1,L = 3-（2-pyridyl）-4-（p-methoxyphenyl）-5-（2-thienyl）-1,2,4-triazole,H2pbda = 1,4-benzenedicarboxylic acid）,has been hydrothermally prepared and characterized by single-crystal X-ray diffraction,IR spectroscopy,elemental analysis and PXRD.The complex crystallizes in monoclinic,space group P21/c with a = 8.2929（9）,b = 21.668（2）,c = 10.9940（11） ,β = 90.242（2）o,V = 1975.5（4） 3,Z = 2,C44H32N8O6S2Cd,Mr = 945.30,Dc = 1.589 g/cm3,μ = 0.721 mm-1,S = 1.097,F（000） = 960,the final R = 0.0590 and wR = 0.1045 for 3846 observed reflections（I 2σ（I））.In the title complex,the rigid bridging pbda2-ligands utilize oxygen atoms of carboxylate groups to coordinate with Cd（II） atoms to form one-dimensional chains which are further interlinked into a three-dimension framework via the intermolecular weak interactions.Photoluminescence study revealed that complex 1 exhibits strong fluorescent emission band in the solid state at room temperature.

Synthesis and Crystal Structure of Binuclear Oxomolybdenum(VI) Complex with Both o-Mercaptophenolate

The complex (Bu4N) 2 [Mo2O5 (mp)2] was synthesized by the reactionof (Bu4N)2[Mo8O26] with H2mp (H2mp=o-mercaptophenol) in methanol. The molecular formula is C44H80Mo2N2O7S2, M.=1005.10. The complex is crystallized in monoclinic, space group P21/n with unit cell parameters, a = 17. 829 (2) A, b= 13. 759 (2 )A,c= 21. 974(2) A, g=105. 386(8)°, V= 5197. 4(1) , Dc= 1. 285 g/cm3, Z=4,λ(MoKa) =0. 71073 , μ=0. 607 mm-1,F(000) = 2120, final R=0.0348 and wR=0. 0741 for 4912 independent observed reflections (FM>4σ(Fo) ). Two MoO5S units inthe complex molecule exhibits the con facial distorted bioctahedral geometry and possesses an approximate C2 symmetry.

Syntheses, Crystal Structures and Antibacterial Activities of Schiff Base Ligand and Its Nickel(Ⅱ) Complex

A complex [NIL2] was synthesized, in which L, or to be exact, a Schiff base ligand （HL）, was derived from the condensation of 1-phenyl-3-methyl-4-phenylacetyl-5-pyrazolone （PMPAP） with L-phenylalanine methyl ester. They were characterized by IR and single-crystal X-ray diffraction. Green block crystals of both ligand and its complex were grown at room temperature. The ligand, which consists of two individual fragments, crystalizes in the P1 space group （a = 5.6268（5）, b = 10.6892（11） and c = 19.4869（18） A）. The complex crystalizes in the P21 space group （a -- 21.4076（18）, b = 9.4792（8） and c = 25.287（2） A）, which consists of a nickel six-coordinated compound. Every fragment is a distorted octahedron with four oxygen and two nitrogen atoms. The Schiff base ligand （HL） and its complex have been tested in vitro to evaluate their antibacterial activity against bacteria Escherichia Coli and Bacillus subtilis. It is found that the complex has higher activity than the corresponding free Schiff base ligand （HL） against the same bacterial.

Hydrothermal Syntheses and Crystal Structures of Two Complexes of Cobalt and Manganese Assembled by 4,4'-Oxydibenzoic Acid

Two new coordination polymers [Co（oba）（mbix）]2n·nH2O （1） and [Mn（Hoba）2（H2O）2]n （2） （H2oba = 4,4＇-oxydibenzoic acid, mbix = 1,3-bis（imidazol-1-ylmethyl）benzene） have been successfully synthesized under hydrothermal conditions. Their structures have been determined by elemental analyses, IR spectroscopy, UV and single-crystal X-ray diffraction analysis. The intermolecular hydrogen bonding and π-π stacking interactions extend the complexes into a 3D supramolecular structure.