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.

Prediction of Superconductivity for Oxides Based on Structural Parameters and Artificial Neural Network Method

Superconductive properties for oxides were predicted by artificial neural network (ANN) method with structural and chemical parameters as inputs. The predicted properties include superconductivity for oxides, distributed ranges of the superconductive transition temperature (Tc) for complex oxides, and Tc values for cuprate superconductors. The calculated results indicated that the adjusted ANN can be used to predict superconductive properties for unknown oxides.

Synthesis and Crystal Structure of a Zinc(II) Complex Salt with the Schiff Base of Picolinaldehyde N-oxide and Semicarbazone

The title zinc（Ⅱ） complex salt [Zn（H2O）6]（ClO4）2-（PNOS）4, where PNOS is derived from picolinaldehyde N-oxide with semicarbazone, has been prepared and structurally characterized by X-ray single-crystal analysis. It crystallizes in triclinic, space group PI with a = 7.529（3）, b = 10.206（4）, c = 14.678（6）A, a = 86.293（6）, β= 87.686（7）, γ= 81.382（6）°, C28H44Cl2N16O22Zn, Mr = 1093.06, V = 1112.3（8） ,A^3 Z = 1, Dc = 1.632 g/cm^3, S = 1.089, μ（MoKa） = 0.773 mm^-1, F（000） = 564, the final R = 0.0438 and wR = 0.1076 for 3888 independent reflections with Rint = 0.0224. The crystal structure possesses a [Zn（H2O）6]^2＋ cation, two ClO4^- anions and four PNOSs. In the crystal structure, Zn^2＋ cation is located at the symcenter and coordinated by six water molecules. In [Zn（H2O）6]^2＋, an elongate octahedral complex cation, the average Zn-O bond length is 2.087（2） A. There exist a lot of H bonds in the structure, linking the cation [Zn（H2O）6]^2＋, anion ClO4^- and PNOS to form a 3D network.

Optimal design and effectiveness evaluation for inerter-based devices on mitigating seismic responses of base isolated structures

The optimal design and effectiveness of three control systems,tuned viscous mass damper(TVMD),tuned inerter damper(TID)and tuned mass damper(TMD),on mitigating the seismic responses of base isolated structures,were systematically studied.First,the seismic responses of the base isolated structure with each control system under white noise excitation were obtained.Then,the structural parameter optimizations of the TVMD,TID and TMD were conducted by using three different objectives.The results show that the three control systems were all effective in minimizing the root mean square value of seismic responses,including the base shear of the BIS,the absolute acceleration of structural SDOF,and the relative displacement between the base isolation floor and the foundation.Finally,considering the superstructure as a structural MDOF,a series of time history analyses were performed to investigate the effectiveness and activation sensitivity of the three control systems under far field and near fault seismic excitations.The results show that the effectiveness of TID and TMD with optimized parameters on mitigating the seismic responses of base isolated structures increased as the mass ratio increases,and the effectiveness of TID was always better than TMD with the same mass ratio.The TVMD with a lower mass ratio was more efficient in reducing the seismic response than the TID and TMD.Furthermore,the TVMD,when compared with TMD and TID,had better activation sensitivity and a smaller stroke.

Structured Illumination Chip Based on Integrated Optics

A compact structured illumination chip based on integrated optics is proposed and fabricated on a silicon-on- insulator platform. Based on the simulation of Caussian beam interference, we adopt a chirped diffraction grating to achieve a specific interference pattern. The experimental results match well with the simulations. The portability and flexibility of the structured illumination chip can be increased greatly through horizontal encapsulation. High levels of integration, compared with the conventional structured illumination approach, make this chip very compact, with a footprint of only around 1 mm2. The chip has no optical lenses and can be easily combined with a microfluidic system. These properties would make the chip very suitable for portable 3D scanner and compact super-resolution microscopy applications.

Polarization-Insensitive Magnetic Quadrupole-Shaped and Electric Quadrupole-Shaped Fano Resonances Based on a Plasmonic Composite Structure

A combined structure with the unit cell consisting of four sub-units with 90° rotation in turn is designed. Each of sub-units is composed of two gold rods in transverse arrangement and one gold rod in longitudinal arrangement. Simulating electromagnetic responses of the structure, we verify that the structure exhibits the double Fano resonances, which originate from the coupling between magnetic quadrupoles and electric dipoles and the coupling between electric quadrupoles and electric dipoles. Simulation results also demonstrate that the structure is polarization-insensitive and shows an analogue of electromagnetically induced transparency at the two Fano resonances. Such a plasmonic structure has potential applications in photoelectric elements.

PHYLETIC RELATIONSHIP OF PROTEIN STRUCTURES BASED ON SPATIAL PREFERENCE OF RESIDUES

A distance measure that infers to indicate the evolutionary relationship of protein structures has been developed based on spatial preference factors of residues. The spatial preference factor is a reflection of the environment of residues in tertiary structure. Compared with the phyletic relationships derived from sequence homologies and three-dimensional structures, we find that the two lines of evolution are similar in general. This approach is applied to a group of glins here.

Syntheses and Crystal Structures of Calix[4]arene Dithiocarbazate Schiff Bases

The regioselective syntheses of novel p-tert-butylcalix[4]arenes with functional aldehyde and dithiocarbazate Schiff base groups were carried out. p-tert-Butylcalix[4]arene was alkylated with o-, p-（ω-chloroalkoxy）- benzaldehydes in the system of K2CO3/KI/CH3CN to give calixarene 1,3-dialdehydes. Then the condensation reactions of active calixarene aldehydes with S-methyl and S-benzyldithiocarbazate, calixarene sulfur-containing Schiff bases were efficiently obtained in satisfied yields. The single crystal analysis of the four representative products shows that calixarene aldehydes and Schiff bases exist in cone conformation and there are interesting intermolecular hydrogen-bands and π...π interaction in the crystals.

High-Efficiency Green Phosphorescent Organic Light-Emitting Diode Based on Simplified Device Structures

A high-efficiency green phosphorescent organic light emitting diode with a simplified structure is achieved that is free of a hole transport layer. The design of this kind of device structure not only saves the consumption of organic materials but also greatly reduces the structural heterogeneities and effectively facilitates the charge injection into the emissive layer. The resulting green phosphorescent organic light-emitting diodes （PHOLEDs） exhibit higher electroluminescent efficiency. The maximum external quantum efficiency and current efficiency reach 23.7% and 88 cd/A, respectively. Moreover the device demonstrates satisfactory stability, keeping 23.7% and 88cd/A, 22% and 82cd/A, respectively, at a luminance of 100 and 1000cd/m2. The working mechanism for achieving high efficiency based on such a simple device structure is discussed correspondingly. The improved charge carrier injection and transport balance are proved to prominently contribute to achieve the high efficiency and great stability at high luminance in the green PHOLEDs.

Syntheses, Crystal Structures and Antibacterial Activities of Cobalt(Ⅱ) and Manganese(Ⅱ) Complexes with Schiff Base Ligand Derived from Tryptamine

Two new mononuclear complexes, namely [Co（L）2]（1） and [Mn（L）2]（2）（HL = N-（3-methylsalicylidene）tryptamine）, have been synthesized by the reactions of the ligand with cobalt acetate or manganese acetate in anhydrous ethanol. The crystal structures of the complexes were characterized by IR spectrum, elemental analysis, PXRD and single-crystal X-ray diffraction analysis. Complex 1 crystallizes in monoclinic, space group C2/c, with a = 23.146（2）, b = 9.4864（10）, c = 13.9261（15）A, β = 102.898（2）°, V = 2980.6（5） ？3, Z = 4, Dc = 1.367 g/cm3, F（000） = 1284 and μ = 0.616 mm^-1. Complex 2 crystallizes in monoclinic, space group P21/n, with a = 14.807（11）, b = 13.118（10）, c = 16.663（13） A, β = 111.237（14）°, V = 3017（4） A^3, Z = 4, Dc = 1.342 g/cm^3, F（000） = 1276 and μ = 0.477 mm-1. The units of complex 1 are linked by intermolecular N–H…π hydrogen bonds into infinite 1D chains, which are further extended into a 3D supramolecular structure by a series of π···π stacking interactions. The units of complex 2 are linked by intermolecular N–H…π hydrogen bonds and C–H…π hydrogen bonds into an infinite 3D supramolecular structure. Meanwhile, the antibacterial activities of the ligand and its complexes have been tested against four kinds of bacteria. The results show that the three compounds all have excellent antibacterial activities and that 1 and 2 possess stronger inhibiting effects against the bacteria than the Schiff base.

Memory Behaviors Based on ITO/Graphene Oxide/Al Structure

We investigate the memory properties of the ITO/graphene oxide/Al diodes. It is found that the devices show different memory behaviors with the diverse geometry and thickness of Al. When the thickness of the Al electrode is relatively thick, the device of the cross-point Al electrode shows a three-level memory effect, and the counterpart device of the cross-bar Al electrode exhibits a volatile static random access memory effect. When the thickness of the AI electrode is thinner, the above devices demonstrate a flash memory effect. The different memory behaviors of ITO/GO/AI diodes are ascribed to the mode and degree of reduction and oxidation of GO.

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.

Syntheses and Crystal Structures of Hg(Ⅱ)and Ag(Ⅰ)Complexes Containing 2-Acetylpyridine-paminobenzoylhydrazone Ligand

The two complexes [HgI_2L]（DMF）（1） and [AgL_2]（ClO_4）（CH_3CN）（2） were synthesized from the reaction of Schiff base ligand（2-acetylpyridine-p-aminobenzoylhydrazone）（L） with HgI_2 or AgClO_4 respectively. The compounds are characterized by ^1H NMR,FTIR and elemental analysis. The structures of the ligand and two complexes are measured via single-crystal X-ray diffraction. In these two complexes,the structures are both distorted triangular bipyramids with five-coordinated centers.

Crystal Structure of a Hexanuclear Silver（Ⅰ） Compound [Ag_6L^66]·4DMF and Luminescence Discussion of a Series of Silver（Ⅰ） Clusters

A new silver（Ⅰ） compound 6 （[Ag6L66]·4DMF） containing thiosemicarbazone with the group of 2-chloro-1-benzene was synthesized and structurally characterized by single-crystal X-ray diffraction, elemental analysis and fluorescence spectrum. The title compound 6 crystallizes in monoclinic, space group C2/c with a = 26.9236（18）, b = 15.2553（8）, c = 24.6237（13） , β = 103.0680（10）°, V = 9851.7（10）3, C58H66Ag6Cl6N20O3S6, Mr = 2143.59, Dc = 1.445 g/cm3, μ（MoKα） = 1.503 mm-1, F（000） = 4232, Z = 4, the final R = 0.0565 and wR = 0.1654 for 5831 observed reflections （Ⅰ 〉 2σ（Ⅰ））. Similar to the structure of the compounds we have reported, compound 6 also exhibits a hexanuclear silver（Ⅰ） cluster. In the cluster, the S atom of ligand L6 （L6 = 2-chloro-1-benzaldehyde thiosemicarbazone） served as a triply bridged chelator to connect the six silver atoms into a Ag6L66 cluster. The luminescence property of compound 6 was investigated at room temperature and compared with other similar compounds in order to find the factors influencing their luminescent property.

Structural-acoustic topology optimization analysis based on evolutionary structural optimization approach

The continuum structural-acoustic topology optimization with external loading is investigated herein. Finite element method （FEM） is used to obtain the structural frequency response and boundary element method （BEM） is adopted to perform exterior acoustic radiation analysis. The evolutionary structural optimization （ESO） is served as an optimization method in structural-acoustic radiation topology analysis. The acoustic radiation optimization of a plate under harmonic excitation is given for example. The numerical results show that using ESO solution to analyze structural-acoustic topology optimization is feasible and effective.

Synthesis and Crystal Structure of a Novel Bis(chlorido)-bridged One-dimensional Chain-like Copper(Ⅱ) Polymer

A copper（Ⅱ） complex [LCu2Cl4]n was synthesized by a new bis-Schiff base ligand containing quinoline unit, 1,4-bis[2-（4-fluorophenyl）iminomethyl-8-quinolinoxy]butane（L）. X-ray crystal structure shows that it is a binuclear complex, and the crystal belongs to the triclinic system, space group P1, with a = 9.387（2）, b = 9.968（2）, c = 10.291（2） ？, α = 87.532（3）, β = 63.762（2）, γ = 86.628（3）o, V = 862.1（3） ？^3, Z = 1, Dc = 1.640 Mg/m^3, F（000） = 428, R = 0.0416 and wR = 0.1141. Each Cu（Ⅱ） metal ion coordinates with a quinoline N atom, an imine N atom, an ether oxygen atom and three chlorides, forming a distorted six-coordinated octahedronal structure. Each copper（Ⅱ） complexation unit links with one of the adjacent ligand copper complexation units through the chlorido bridging groups, thus generating an infinite one-dimensional chain structure. Such 1D chains further construct a 2D network structure by π-π stacking interactions.

Synthesis, Structure and Comparison of Luminescent Property between Two Hexanuclear Silver(Ⅰ) Thiosemicarbazone Clusters

A new silver（Ⅰ） compound 4 containing thiosemicarbazone with group 2-quinoline was synthesized and structurally characterized by single-crystal X-ray diffraction, elemental analysis and fluorescence spectrum. Compound 4 crystallizes in triclinic, space group P1 with a = 12.2710（9）, b = 16.9281（13）, c = 17.2984（13）, α = 112.8500（10）, β = 103.4890（10）, γ = 102.6860（10）°, V = 3020.9（4） 3, C80H94Ag6N28O6S6, Mr = 2383.41, Dc = 1.310 g/cm3, μ（MoKα） = 1.108 mm-1, F（000） = 1196, Z = 1, the final R = 0.0567 and wR = 0.1368 for 5112 observed reflections （I 〉 2σ（I））. Similar to the structure of compound 2 we have reported, compound 4 also exhibits a hexanuclear silver（Ⅰ） cluster. In the cluster, the S atom of ligand L4 （L4 = 2-quinolinecarboxaldehyde thiosemicarbazone） serves as a triply bridged chelator to connect the six silver atoms into a Ag6L46 cluster. The luminescence property of 4 is investigated at room temperature and compared with that of 2.

Synthesis and Crystal Structure of 5-Nitro-4-salicylidene-amino-3-methyl-1,2,4-triazol-5-thione

The crystal structure of 5-nitro-4-salicylideneamino-3-methyl-1,2,4-triazole-5-thione ([C 10 H 9N 5O 3S]·HCON(CH 3) 2, M r=352.38)(CCDC No. 216094) was determined by the single crystal X-ray diffraction method. The crystal belongs to a triclinic system, the space group is P1 with unit cell constants a= 0.6113(2) nm, b=1.0836(4) nm, c=1.3132(5) nm, α=74.523(7)°, β=117.68(3)°, γ= 79.769(7)°, V=0.8245(5) nm 3, Z=2, D c=1.419 g/cm 3, μ=0.228 mm -1 , F(000)=368, R and wR are 0.0579 and 0.1040, respectively, beasd on 3348 unique reflections of which 1925 reflections were observed[I>2σ(I)]. The results indicate that the title compound can be assigned to the thione tautomeric form rather than the thiol tautomeric form. It contains a five membered triazole ring and a phenyl ring with a dihedral angle of 4.35°. The intermolecular hydrogen bond N3_H3…S1, O1_H1…O4 can be observed.

Identification of Novel CDK9 Inhibitors with Better Inhibitory Activity and Higher Selectivity for Cancer Treatment by an Effective Two-Stage Virtual Screening Strategy

The aberrant overexpression of cyclin-dependent kinase 9 (CDK9) in cancer cells results in the loss of proliferative control, making it an attractive therapeutic target for various cancers. However, the highly structural similarity between CDK9 and CDK2 makes the development of novel selective CDK9 inhibitors a challenging task and thus limits their clinical applications. Here, an effective two-stage virtual screening strategy was developed to identify novel CDK9 inhibitors with better inhibitory activity and higher selectivity. The first screening stage aims to select potential compounds with better inhibitory activity than Roniciclib, one of the most effective CDK9 inhibitors, through reliable structure-based pharmacophoric virtual screening and accurate molecular docking analyses. The second stage employs a very detailed visual inspection process, in which several structural criteria describing the major difference between the binding pockets of CDK9 and CDK2 are taken into consideration, to identify compounds with higher selectivity than CAN508, one of the CDK9 inhibitors with distinguished selectivity. Finally, three compounds (NCI207113 from NCI database and TCM0004 and TCM3282 from TCM database) with better inhibitory activity and higher selectivity were successfully identified as novel CDK9 inhibitors. These three compounds also display excellent binding stabilities, great pharmacokinetic properties and low toxicity in MD simulations and ADMET predictions. Besides, the results of binding free energy calculations suggest that enhancing van der Waals interaction and nonpolar solvation energy and/or reducing polar solvation energy can significantly improve the binding affinity of these CDK9 inhibitors. Their clinical potentials to serve as anticancer drug candidates can be further evaluated through a series of in vitro/in vivo bioassays in the future. To the best of our knowledge, this is the first attempt to identify novel CDK9 inhibitors with both better inhibitory activity and higher selectivity through an effective two-stage virtual screening strategy.

Synthesis,Crystal Structure and Biological Activity of(E)-3-Chloro-2-(2-(2-methylbenzylidene)-hydrazinyl)pyridine

The novel Schiff base（E）-3-chloro-2-（2-（2-methylbenzylidene）hydrazinyl）pyridine was synthesized and characterized by ^1H NMR, MS, elemental analysis and X-ray diffraction. The compound crystallizes in monoclinic space group Pbca with a = 14.6638（3）, b = 7.7522（2）, c = 20.3850（4） A, V = 2317.30（9） A^3, Z = 8, R = 0.063 and w R = 0.1922. The title compound exhibits good antifungal activity against Stemphylium lycopersici（Enjoji） Yamamoto and Fusarium oxysporum sp. cucumebrium.