Synthesis,crystal structure,and DNA‑binding of binuclear lanthanide complexes based on a multidentate Schiff base ligand

Two new dinuclear lanthanidecomplexes,namely[Ln_(2)(dbm)_(2)(HL)_(2)(CH_(3)OH)_(2)]·4CH_(3)OH[Ln=Tb(1)and Dy(2),Hdbm=dibenzoylmethane]have been synthesized using prepared multidentate Schiff base ligand H_(3)L(hydroxy‑acetic acid(4‑diethylamino‑2‑hydroxy‑benzylidene)‑hydrazide)with good biological activity.Structure characterizations show that the complex comprises two Ln3+ions,two dbm-ions,two HL^(2-)ligands,two CH_(3)OH molecules,and four free methanol molecules.Each Ln^(3+)ion is eight‑coordinated.The two central Lnions are bridged by twoμ_(2)‑O atoms leading to a parallelogram[Ln2O2]core.The interaction between the compounds(H_(3)L,1,and 2)and the calf thymus DNA(CT‑DNA)has been further confirmed by UV‑Vis spectrometry,fluorescence titration,and cyclic voltammetry.The results showed that both 1 and 2 could undergo insertion with CT‑DNA.CCDC:2343005,1;2343006,2.

Elastic wave insulation and propagation control based on the programmable curved-beam periodic structure

Curved-beams can be used to design modular multistable metamaterials(MMMs)with reprogrammable material properties,i.e.,programmable curved-beam periodic structure(PCBPS),which is promising for controlling the elastic wave propagation.The PCBPS is theoretically equivalent to a spring-oscillator system to investigate the mechanism of bandgap,analyze the wave propagation mechanisms,and further form its geometrical and physical criteria for tuning the elastic wave propagation.With the equivalent model,we calculate the analytical solutions of the dispersion relations to demonstrate its adjustability,and investigate the wave propagation characteristics through the PCBPS.To validate the equivalent system,the finite element method(FEM)is employed.It is revealed that the bandgaps of the PCBPS can be turned on-and-off and shifted by varying its physical and geometrical characteristics.The findings are highly promising for advancing the practical application of periodic structures in wave insulation and propagation control.

Influence of topography on the fine structures of stratospheric gravity waves:An analysis using COSMIC-2 temperature data

We derive the potential energy of gravity waves(GWs)in the upper troposphere and stratosphere at 45°S-45°N from December 2019 to November 2022 by using temperature profiles retrieved from the Constellation Observing System for Meteorology,Ionosphere,and Climate-2(COSMIC-2)satellite.Owing to the dense sampling of COSMIC-2,in addition to the strong peaks of gravity wave potential energy(GWPE)above the Andes and Tibetan Plateau,we found weak peaks above the Rocky,Atlas,Caucasus,and Tianshan Mountains.The land-sea contrast is responsible for the longitudinal variations of the GWPE in the lower and upper stratosphere.At 40°N/S,the peaks were mainly above the topographic regions during the winter.At 20°N/S,the peaks were a slight distance away from the topographic regions and might be the combined effect of nontopographic GWs and mountain waves.Near the Equator,the peaks were mainly above the regions with the lowest sea level altitude and may have resulted from convection.Our results indicate that even above the local regions with lower sea level altitudes compared with the Andes and Tibetan Plateau,the GWPE also exhibits fine structures in geographic distributions.We found that dissipation layers above the tropopause jet provide the body force to generate secondary waves in the upper stratosphere,especially during the winter months of each hemisphere and at latitudes of greater than 20°N/S.

Evaluation on Ecological Environment of City Based on Entropy and Dissipative Structure Theory—In Case of Dangyang in Hubei Province

Evaluation on ecological environment system is to describe and assess the quality of ecological environment, and accurately reflect the ecological environmental quality and pollution situation. In this paper, after reviewing the domestic and foreign relative researches, from the theory perspective of the dissipative structure of complex system, we analyzed the city ecological system dissipative structure characteristic, and discussed the process forming dissipative structure, then we constructed the city ecosystem entropy parameter table and entropy evaluated model. The total entropy dynamic, scientifically reflects the city ecology system level and developing trend, so in fact it provides the theory basis and method to improve the overall quality of ecological environment, finally we took Dangyang as a case study, and got the same conclusion with the actual situation.

Synthesis, Crystal Structure and Photoluminescence of a 2D Two-fold Interpenetrating Cd(II) Coordination Polymer Based on a Flexible Reduced Schiff Base Ligand

By the reaction of cadmium chloride with a reduced Schiff base ligand （H2L= N-（4- carboxybenzyl）-glycine）, a novel Cd（Ⅱ） compound [Cd（HL）2]·4H2O （1） has been obtained. Single-crystal X-ray diffraction analysis reveals that it crystallizes in orthorhombic, space group Pbcn with a = 13.9788（8）, b = 24.4204（14）, c = 13.9580（8） A, V= 4764.8（5） A^3, Z = 8, Mr = 600.84, Dc = 1.675 g/cm^3,/z = 0.983 mm^-1, F（000） = 2448, S = 1.084, R = 0.0806 and wR = 0.1705 （I〉 2a（1））. It displays a 2D two-fold interpenetrating structure. The Cd（Ⅱ） ions are six-coordinated. The cross-linkage of Cd（Ⅱ） ions by the bridge of HL anions results in a [Cd（HL）2] layer. Every two [Cd（HL）2]n layers are penetrated with each other, resulting in a two-fold interpenetrating double-layer structure by π-π stacking interactions and hydrogen bonds. Such double-layers are further linked by hydrogen bonds into a supramolecular structure. Photoluminescent investigation shows that compound 1 displays strong emission in the purple region.

Synthesis,Crystal Structure and Electrochemistry Properties of a Cobalt(Ⅱ) Complex Based on Asymmetry Schiff Base Ligand

A new cobalt（II） complex [Co（NO2-salen）2]·1.5H2O containing mono acetalization Schiff base ligand（NO2-salen = N-5-nitro-salicylideneamino ethanato） has been prepared through one-pot template condensation, and has been structurally characterized by elemental analysis, IR spectra and X-ray diffraction. It is formulated as C18H23CoN6O7.5, crystallizes in the hexagonal system, space group of R-3c with α = 25.895（18）, b = 25.895（18）, c = 35.075（6）, γ = 120o, V = 20368（3） and Z = 36. The ligand of 5-nitrosalicylaldehyde-ethylene-diamine takes unusual mono asymmetry mode. The Co（II） ion exhibits a coordination number of six, and assumes a distorted octahedral geometry with a N2O4 donor set. The neutral monomeric units of [Co（NO2-salen）2]·1.5H2O are linked into a one-dimensional（1D） structure via the intermolecular hydrogen bonds and weak π-π stacking interactions. Cyclic-voltammetry measurement reveals the oxidation and reduction processes for the complex are irreversible in nature.

A Novel Potassium Complex Based on the Taurine-salicylaldehyde Schiff Base:Synthesis,Crystal Structure and Spectroscopy

A novel two-dimensional self-assembly network formulated as [K（TSSB）]n （TSSB= taurine-salicylaldehyde Schiff base） has been synthesized via the reaction of salicylaldehyde with taurine at the presence of potassium hydroxide in water-methanol solution,and was structurally characterized by elemental analysis,IR,UV-VIS spectra and X-ray diffraction.It crystallizes in the monoclinic system,space group P21/c with a=20.245（3）,b=7.2905（9）,c=7.5458（10）,β= 94.1920（10）o,V=1110.8（2）3,Mr=267.34,Z=4,Dc=1.599 g/cm3,μ（MoKα）=0.663 mm-1 and F（000）=552.The units of K[TSSB] are linked into a one-dimensional double chain structure via the sulfonic groups from the taurine-salicylaldelyde Schiff base,and such chains are further extended through O-K-O bond interactions resulting in a two-dimensional supramolecular architecture.In the complex,the K（I） ion displays a slightly distorted dodecahedral geometry with an eight-coordination number.

Nonequilibrium Thermodynamic and Dissipative Structure Mechanism of Fluidized Beds

Fluidized beds are nonlinear dynamic systems that exchange mass and energy with outside. They are governed not only byfluid dynamics, but by thermodynamics, especially the second law of thermodynamics as well. According to Prigogine's dissipative structure theory, the following have been concluded: (l) a fixed bed is on thermodynamic blanch, and bubbling, turbulent and fast beds areon the dissipatve structure branches. (2) Entropy in fluidized beds is divided into tWo parts: entropy production and entropy flux. The latter increases with gas velocity and decreases with pressure of the systems. That means the entropy of a system may reduce and the systemwith higher gas velocity behaves as dissipative structure characteristics. (3) For a giVen velocity, a fluidized bed operates stably on thewhole, but it is unstable to local gas-solid phases. The unstable phases are described by fluid dynamic equations, While the minimum ofsystem energy function assures whole stability of the system. (4) A transition criterion of a bubbling bed is derived from Prigogine's stability theory.

Synthesis,Crystal Structure and Characterization of a Nickel Complex Based on Phenoxyimine Ligand and Catalysis of the Vinyl Polymerization of Norbornene

The title complex N,O-bis{2-[[（2-benzhydryl-4,6-dimethylphenyl）imino]-methyl]-phenol}-nickel（II）（C56H48N2NiO2） has been synthesized by the reaction of 2-[[（2-benzhydryl-4,6-dimethylphenyl）mino]-methyl]-phenol with Ni（CH3COO）2·4 H2O, and characterized by elemental analysis and IR spectrum. The spatial structure of the complex has been confirmed by single-crystal X-ray diffraction analysis. The compound belongs to the monoclinic system, space group C2/c with a = 39.035（8）, b = 13.276（3）, c = 17.679（4） A°, β = 98.06（3）°, V = 9071（3） A°^3, C56H48N2NiO2, Mr = 839.67, Z = 8, Dc = 1.230 Mg/m^3, μ = 0.472 mm^-1, F（000） = 3536, T = 293（2） K, the final R = 0.0675 and w R = 0.1345（I 〉 2s（I））. The compound showed excellent catalytic activity up to 1.268 × 10^7 g of PNB（mol of Ni）^-1h^-1 for the addition polymerization of norbornene by using methylaluminoxane（MAO） as a cocatalyst.

A Novel Copper(Ⅱ)Complex Based on 4-Amino-1,2,4-triazole Schiff-base:Synthesis,Crystal Structure,Spectral Characterization,and Hirshfeld Surface Analysis

A novel copper complex Cu2（L）4（1, HL = 2-ethoxy-6-（[1,2,4]triazol-4-yliminomethyl）-phenol） has been synthesized and characterized by IR, single-crystal X-ray diffraction, and elemental analysis（CHN）. The single crystal belongs to the triclinic system, space group P1 with a = 10.0991（10）, b = 10.5280（12）, c = 10.5777（11） A, α = 97.230（9）, β = 90.640（8）, γ = 92.412（9）°, Mr = 1052.05, V = 1114.6（2） A3, Z = 1, Dc = 1.567 g/cm3, F（000） = 542, μ = 1.029 mm–1, R = 0.0562 and w R = 0.1562. The fluorescence and electrochemiluminescence（ECL） of 1and HL ligand were studied. The luminescence properties of 1 can be attributed to the ligand-metal charge transfer.

Study on the Interior Market Network Structure and Its Efficiency in a Knowledge Based Company

A knowledge based company is the microcosmic foundation of the knowledge economy, the design of its organization structure should amplify the company competence to be agile to the knowledge elements. This paper expounds an interior market network structure which is fit for the company intellectual capital operation, and analyses this organization pattern about the reasons of existence, the effectiveness of growing up in scale, the economies of knowledge distribution and the efficiency of operation, and it will provide some beneficial theoretical guidance about how can a company improve its competition competence in the knowledge environment through organization innovation.

One New Zinc Coordination Polymer Based on 2-Chloro-benzoate and 4,4'-Bipyridine: Synthesis, Crystal Structure and Luminescence

A Zn-based coordination polymer [Zn（2-cb）2（4,4′-bpy）0.5]n （1, 2-cb = 2-chloro- benzoate, 4,4＇-bpy = 4,4′-bipyridine） was prepared by hydrothermal synthesis using 2-chloro- benzoic acid and 4,4′-bipyridyl as ligands. The compound was characterized by elemental analysis, IR, TGA, and X-ray single-crystal diffraction. The crystal belongs to the monoclinic system, space group PI with a = 8.0471（5）, b = 9.7338（6）, c = 11.7830（7） A, a = 96.2230（10）, β = 92.542（2）, γ = 103.7560（10）°, V = 888.84（9） A3, Z = 2, Mr = 454.57, Dc = 1.698 g/cm3,μ（MoKa） = 1.708 mm.1, F（000） = 458, the final R = 0.0359 and wR = 0.0936 for 3167 observed reflections with I 〉 2σ（I）. The crystal analysis indicates that 1 exhibits a 1-D chain structure constructed by 4,4′-bpy and a dicaryon secondary-building-unit of [Zn2（2-cb）4]. Luminescence analysis revealed that compound 1 emits blue fluorescence with a fluorescence lifetime of 55.03 ns.

Four New Cu(Ⅱ) Complexes with Benzotriazole-based Ligands: Syntheses, Crystal Structures and Theoretical Investigations

Four new Cu（Ⅱ） complexes with two benzotriazole-based ligands, [Cu2（L^1）2（NO3）2]· 2H2O （1）, [Cu2（L^1）2]·2ClO4·2H2O （2）, [Cu2（HL^2）2（NO3）4]·2CH3COCH3 （3） and [Cu（HL^2）2（Cl）]·Cl·2CH2Cl2 （4）, where HL^1 = 1,3-bis（benzotriazol-2-yl）-2-propanol and HL^2 = 1,3-bis（benzotriazol-1-yl）-2-propanol, were synthesized and structurally characterized by elemental analyses, IR and single-crystal X-ray diffraction analyses. It is revealed that complexes 1～3 have dinuclear structures, while 4 possesses a one-dimensional （1-D） chain structure, which extends in two orthogonal orientations. In 1～4, the coordination numbers of Cu（Ⅱ） centers range from four to six, which may be attributed to the different geometries and coordination abilities of the ligands and anions. The L^1 ligand in complexes 1 and 2 adopts a tridentate di-chelating coordination mode, whereas ligand HL^2 in complexes 3 and 4 has a bidentate bridging coordination mode. The different coordination modes of these two ligands may be explained by the different charges of nitrogen donor atoms in the benzotriazole ring, which has been investigated by density functional theory （DFT） calculations.

Characterization of the sequence spectrum of DNA based on the appearance frequency of the nucleotide sequences of the genome——A new method for analysis of genome structure

The nucleotide (base) sequence of the genome might reflect biological information beyond the coding sequences. The appearance frequencies of successive base sequences (key sequences) were calculated for entire genomes. Based on the appearance frequency of the key sequences of the genome, any DNA sequences on the genome could be expressed as a sequence spectrum with the adjoining base sequences, which could be used to study the corresponding biological phenomena. In this paper, we used 64 successive three- base sequences (triplets) as the key sequences, and determined and compared the spectra of specific genes to the chromosome, or specific genes to tRNA genes in Saccharomyces cerevisiae, Schizosaccharomyces pombe and Escherichia coli. Based on these analyses, a gene and its corresponding position on the chromosome showed highly similar spectra with the same fold enlargement (approximately 400-fold) in the S. cerevisiae, S. pombe and E. coli genomes. In addition, the homologous structure of genes that encode proteins was also observed with appropriate tRNA gene(s) in the genome. This analytical method might faithfully reflect the encoded biological information, that is, the conservation of the base sequences was to make sense the conservation of the translated amino acids sequence in the coding region, and might be universally applicable to other genomes, even those that consisted of multiple chromosomes.

C-H…O Hydrogen Bonds and π…π Interaction and the Crystal and Molecular Structures of 3-Nitro-benzylideneaniline-methyl-2’

The title compound (C14H12N2O2, Mr = 240.26) crystallizes in the monoclinic system, space group P21/a with a = 7.394(1), b = 21.334(3), c = 7.423(1) ? b = 89.82(1)? V = 1170.8(3) ?, Z = 4, Dc = 1.363 g/cm3, m(MoKa) = 0.93 cm-1 and F(000) = 504.00. The final R and wR are 0.0440 and 0.1370 for 2153 observed reflections (I > 2s(I)), respectively. The dihedral angle between the two phenyl rings is 52.9 and that between the NO2 group and its attached ring is 3.0. In the crystal, molecules are stacked along [100] through p…p interactions. The CH…O hydrogen bond (3.403 ? 120.4? laterally connects the stacks along [010] to form networks (001) which are further anti- parallelly connected by CH…O (3.382 ? 142.9) and p…p interactions extending along [001]. Also presented here is a brief study on the CH…O hydrogen bonds in nitro-substituted benzyl-ideneanilines which can be classified into five types, namely, )5(12R, )4(21R, )8(22R, )6(12R and )7(22R, with the first three occurring more often.

Preparation and the Pore Structure of Viscose-based Activated Carbon Fibers Treated with Pretreatment Reagents

The viscose rayon was pretreated with four different pre-treatment reagents respectively, and the preparation ofactivated carbon fibers (ACF) was performed undersame carbonizing and activating conditions. The poresize distribution, the specific surface area, and the porestructure parameter of these viscose - based ACF werestudied by using quartz spring balance BET- weightmethod. The experiment result indicates that the poresize distribution and the pore structure parameter ofACF is varied by using different pretreatment reagents.

What are the challenges facing cancer therapy base on the dissipative structure theory

Cancer therapy is facing challenges.Since current theory could not have a breakthrough,we ought to find a new way to conquer cancer by exploring the emerging theory in cancer therapy.The complexity science,emerging in the 1980s,is the new stage of the system science development.It raises a series of transformation from humanities to natural science.Dissipative structure theory as a major science of complexity science,when applied to medical field,probable provide opportunity and inspiration referring to treatment.Dissipative structure theory,in brief,claims that a dissipative structure transform chaos to relatively stable non-equilibrium state through non-equilibrium phase transition.From the microscopic order,cancer composed by tumor cells is a dissipative structure,whose external environment is the human body.From the macroscopic order,the human body is a dissipative structure,whose external environment is the natural and social environment.The reason for tumor occurrence and progression is relatively non-equilibrium disrupted and negative entropy is not enough to correct high positive entropy.Survival with the tumor is to enhance negative entropy to resist highly positive entropy and then build a new relative non-equilibrium state.Innovative angle from the theory may enlighten us make the better use of dissipative structure theory in clinical cancer therapy.

Two New Schiff Bases Based on 5-Chloro-3-methyl-1-phenyl-1H-pyrazole-4-carbaldehyde: Syntheses, Crystal Structures and Properties

Two new Schiff bases based on 5-chloro-3-methyl-1-phenyl-1 H-pyrazole-4-carbaldehyde, namely, N-((5-chloro-3-methyl-1-phenyl-1 H-pyrazol-4-yl)methylene)-4-morpholinoaniline(Ⅲa) and N-((5-chloro-3-methyl-1-phenyl-1 H-pyrazol-4-yl)methylene)-3-fluoro-4-morpholinoaniline(Ⅲb), were synthesized and characterized by IR, LC-MS, 1 H NMR and 13 C NMR spectroscopy. Meanwhile, the three-dimensional configurations of the two title compounds were further characterized by single-crystal X-ray diffraction analyses. Both the compounds are thermodynamically stable trans-isomers. Moreover, the fluorescence properties and antioxidant activities against DPPH of the two target compounds have been investigated, and the results showed that the title compounds both have fluorescence performance and certain antioxidant activities against DPPH radical.

Coach Simplified Structure Modeling and Optimization Study Based on the PBM Method

For the coach industry, rapid modeling and efficient optimization methods are desirable for structure modeling and optimization based on simplified structures, especially for use early in the concept phase and with capabilities of accurately expressing the mechanical properties of structure and with flexible section forms. However, the present dimension-based methods cannot easily meet these requirements. To achieve these goals, the property-based modeling （PBM） beam modeling method is studied based on the PBM theory and in conjunction with the characteristics of coach structure of taking beam as the main component. For a beam component of concrete length, its mechanical characteristics are primarily affected by the section properties. Four section parameters are adopted to describe the mechanical properties of a beam, including the section area, the principal moments of inertia about the two principal axles, and the torsion constant of the section. Based on the equivalent stiffness strategy, expressions for the above section parameters are derived, and the PBM beam element is implemented in HyperMesh software. A case is realized using this method, in which the structure of a passenger coach is simplified. The model precision is validated by comparing the basic performance of the total structure with that of the original structure, including the bending and torsion stiffness and the first-order bending and torsional modal frequencies. Sensitivity analysis is conducted to choose design variables. The optimal Latin hypercube experiment design is adopted to sample the test points, and polynomial response surfaces are used to fit these points. To improve the bending and torsion stiffness and the first-order torsional frequency and taking the allowable maximum stresses of the braking and left turning conditions as constraints, the multi-objective optimization of the structure is conducted using the NSGA-II genetic algorithm on the ISIGHT platform. The result of the Pareto solution set is acquired, and the selection strategy of the final solution is discussed. The case study demonstrates that the mechanical performances of the structure can be well-modeled and simulated by PBM beam. Because of the merits of fewer parameters and convenience of use, this method is suitable to be applied in the concept stage. Another merit is that the optimization results are the requirements for the mechanical performance of the beam section instead of those of the shape and dimensions, bringing flexibility to the succeeding design.

Flexible Bis(benzimidazole)-based Ligands Directed the Structure Characteristics of Coordination Polymers Based on Diphenic Acid Co-ligands:Syntheses, Structures and Properties

Two new coordination polymers [Cu_2(bbim)(dpa)_2(C_2H_5OH)_2](1), [Co(dpa)_2(bbbm)](2)(H_2dpa = diphenic acid, bbim = 1,1?-(1,6-hexanediyl)bis-1H-benzimidazole, bbbm = 1,1?-(1,4-butanediyl)bis-1 H-benzimidazole) constructed from bis(benzimidazole)-based ligands with different lengths and diphenic acid co-ligand have been synthesized under solvothermal conditions.Complex 1 possesses Cu-dpa helical chains. The adjacent chains are connected by the bbim ligands into two-dimensional(2D) 3-connected(63) topology. Differently, the layer structure of 2 was consisted by one-dimensional chains containing alternated 8-and 18-membered rings. Furthermore,the thermal stability and fluorescence property for all crystalline materials have been investigated.