Finite Element Simulation Analysis of a Novel 3D-FRSPA for Crawling Locomotion

A novel three-dimensional-fiber reinforced soft pneumatic actuator(3D-FRSPA)inspired by crab claw and human hand structure that can bend and deform independently in each segment is proposed.It has an omni-directional bending configuration,and the fibers twined symmetrically on both sides to improve the bending performance of FRSPA.In this paper,the static and kinematic analysis of 3D-FRSPA are carried out in detail.The effects of fiber,pneumatic chamber and segment length,and circular air chamber radius of 3D-FRSPA on the mechanical performance of the actuator are discussed,respectively.The soft mobile robot composed of 3D-FRSPA has the ability to crawl.Finally,the crawling processes of the soft mobile robot on different road conditions are studied,respectively,and the motion mechanism of the mobile actuator is shown.The numerical results show that the soft mobile robots have a good comprehensive performance,which verifies the correctness of the proposedmodel.This work shows that the proposed structures have great potential in complex road conditions,unknown space detection and other operations.

Discrete Element with Flexible Connector for Dynamic Analysis of 3-D Beam Structures

Combined multi-body dynamics with structural dynamics, a new discrete element with flexible connector, which is applicable for 3-D beam structures, is developed in this paper. Both the generalized elastic coefficient matrix of the flexible connector and the mass matrix of discrete element may be off-diagonal in a general case. The zero-length rigid element is introduced to simulate the node at which multiple elements are jointed together. It may also be effective when the axes of adjacent elements are not in the same line. The examples for eigenvalue calculation show that the model is successful. It can be extended to the geometric nonlinear response analysis.

Crystal Structure and Judd–Ofelt Analysis of Er^(3+) Doped LuAl_3(BO_3)_4 Crystal

Single crystal Er：LuAl3 （BO3） （Er：LuAB） is successfully grown using the top-seeded solution growth method wlth a K2Mo3O10 flux. The cell parameters of the grown crystal are estimated by an x-ray single crystal diffactometor and x-ray powder diffraction analysis. The result indicates that it still belongs to the space group R32. The obtained unit-cell parameters are a = 9.2793（19） a, c = 7.210（3） a, V = 537.65（27） a3, and Z = 3. The absorption spectrum is measured at room temperature. The spectroscopy properties axe investigated based on the Judd Ofelt （J-O） theory, and the effective J-O parameters were calculated to be Ω2 = 8.33 ×10^- 20, Ω4 = 3.83 ×10^-20, and Ω6 = 3.55 × 10^- 20. The emission spectra of Er：LuAB crystal at room temperature are also studied and the 4I11/2 →4I13/2 fluorescence around 3170nm is observed. The emission cross section calculated by the F-L formula is 8.6 × 10^-20 cm2. These results suggest that the Er：LuAB crystal may be a promising -3 μm laser material.

One Novel 2D Co(Ⅱ) Polymer with 1,2,3-Triazole Derivative: Crystal Structure, Fluorescence and Hirshfeld Surface Analysis

One new polymer [Co（L）（H2O）2]n（1） was synthesized by 4-（ethoxycarbonyl）-5-methyl-1H-1,2,3-triazole-1-carboxylic acid（Emtc） under the in situ solvent thermal reaction（H2L = 1-（carboxymethyl）-5-methyl-1H-1,2,3-triazole-4-carboxylic acid）. The title complex performs a wave-like 2D framework and the ligand H2L demonstrates the coordination mode as μ4-η-2：η-1η-1：η-1. The crystal structure has been established by single-crystal X-ray diffraction, and characterized by FT-IR. Fluorescent property was investigated in this work. Hirshfeld surface analysis has also been carried out on 1, and obvious main intermolecular interactions are observed.

Structure Sorting of Multiple Macromolecular States in Heterogeneous Cryo-EM Samples by 3D Multivariate Statistical Analysis

Heterogeneity of biological samples is usually considered a major obstacle for three-dimensional (3D) structure determination of macromolecular complexes. Heterogeneity may occur at the level of composition or conformational variability of complexes and affects most 3D structure determination methods that rely on signal averaging. Here, an approach is described that allows sorting structural states based on a 3D statistical approach, the 3D sampling and classification (3D-SC) of 3D structures derived from single particles imaged by cryo electron microscopy (cryo-EM). The method is based on jackknifing & bootstrapping of 3D sub-ensembles and 3D multivariate statistical analysis followed by 3D classification. The robustness of the statistical sorting procedure is corroborated using model data from an RNA polymerase structure and experimental data from a ribosome complex. It allows resolving multiple states within heterogeneous complexes that thus become amendable for a structural analysis despite of their highly flexible nature. The method has important implications for high-resolution structural studies and allows describing structure ensembles to provide insights into the dynamics of multi-component macromolecular assemblies.

A novel box-counting method for quantitative fractal analysis of threedimensional pore characteristics in sandstone

Fractal theory offers a powerful tool for the precise description and quantification of the complex pore structures in reservoir rocks,crucial for understanding the storage and migration characteristics of media within these rocks.Faced with the challenge of calculating the three-dimensional fractal dimensions of rock porosity,this study proposes an innovative computational process that directly calculates the three-dimensional fractal dimensions from a geometric perspective.By employing a composite denoising approach that integrates Fourier transform(FT)and wavelet transform(WT),coupled with multimodal pore extraction techniques such as threshold segmentation,top-hat transformation,and membrane enhancement,we successfully crafted accurate digital rock models.The improved box-counting method was then applied to analyze the voxel data of these digital rocks,accurately calculating the fractal dimensions of the rock pore distribution.Further numerical simulations of permeability experiments were conducted to explore the physical correlations between the rock pore fractal dimensions,porosity,and absolute permeability.The results reveal that rocks with higher fractal dimensions exhibit more complex pore connectivity pathways and a wider,more uneven pore distribution,suggesting that the ideal rock samples should possess lower fractal dimensions and higher effective porosity rates to achieve optimal fluid transmission properties.The methodology and conclusions of this study provide new tools and insights for the quantitative analysis of complex pores in rocks and contribute to the exploration of the fractal transport properties of media within rocks.

Synthesis and Structural Analysis of LDH-SO4-CO3 Whisker

High-quality LDH-SO4-CO3 whiskers were synthesized via liquid precipitation method using MgSO4·7 H2 O and Al2(SO4)3·18 H2O as precursors and Na2CO3-NaHCO3 buffer solution as precipitant. The influence of buffer solution concentration on the characteristics of the samples was investigated. The asgrown whiskers were characterized by X-ray diffraction, transmission electron microscopy, and BrunauerEmmett-Teller N2 specific surface area measurements. The results show that the buffer solution concentration has significant impact on whiskers with intercalated structure. The LDH-SO4-CO3 whiskers with well-defined geometry, distinct intercalated structure, decent quality, and excellent dispersing capability can be obtained under the following conditions: buffer solution volume ratio of 45%, reaction temperature of 83°C, and reaction time of 182 h. The obtained whiskers are well-crystallized and exhibit homogeneous morphology consisting of fiber bars.

Separate Analysis of Remote Sensing Information of Structures of Different Geological Periods and Quantitative Study of Corresponding Tectonic Stress Fields

The structural feature shown on a remote sensing image is a synthetic result ofcombination of the deformations produced during the entire geological history of an area.Therefore, the respective tectonic stress field of each of the different stages in the complexdeformation of an area can be reconstructed in three steps: (1) geological structures formed atdifferent times are distinguished in remote sensing image interpretation; (2) structuraldeformation fields at different stages are determined by analyzing relationships betweenmicrostructures (joints and fractures) and the related structures (folds and faults); and (3)tectonic stress fields at different stages are respectively recovered through a study of the featuresof structural deformation fields in different periods. Circular structures and related circlular and radial joints are correlated in space to con-cealed structural rises. The authors propose a new method for establishing a natural model ofthe concealed structural rises and calculating the tectonic stress field by using quantitative dataof the remote sensing information of circular structures and related linear structures.

In-situ structural evolution analysis of Zr-doped Na_(3)V_(2)(PO_(4))_(2)F_(3) coated by N-doped carbon layer as high-performance cathode for sodium-ion batteries

With great superiorities in energy density,rate capability and structural stability,Na_(3)V_(2)(PO_(4))_(2) F_(3)(NVPF)has attracted much attentions as cathode of sodium ion battery(SIB),but it also faces challenges on its poor intrinsic electronic conductivity and the controversial de/sodiation mechanism.Herein,a series of Zr-doped NVPF coated by N-doped carbon layer(~5 nm in thickness,homogenously)materials are fabricated by a sol-gel method,and the optimized heteroatom-doping amounts of Zr and N doping improve intrinsic properties on enlarging lattice distance and enhancing electronic conductivity,respectively.Specifically,among all samples of Na_(3) V_(2-x)Zr_(x)(PO_(4))_(2) F_(3)/NC(NVPF-Zr-x/NC,x=0,0.01,0.02,0.05,and 0.1),the optimized electrode of NVPF-Zr-0.02/NC delivers high reversible capacities(119.2 mAh g^(-1) at0.5 C),superior rate capability(98.1 mA h g^(-1) at 20 C)and excellent cycling performance.The structural evolution of NVPF-Zr-0.02/NC electrode,in-situ monitored by X-ray diffractometer,follows a step-wise Na-extraction/intercalation mechanism with reversible multi-phase changes,not just a solid-solutionreaction one.Full cells of NVPF-Zr-0.02/NC//hard carbon demonstrate high capacity(99.8 mA h g^(-1) at 0.5 C),high out-put voltage(3.5 V)and good cycling stability.This work is favorable to accelerate the development of high-performance cathode materials and explore possible redox reaction mechanisms of SIBs.

Synthesis,Crystal Structure and Conformational Analysis of (E)-5-Methoxy-2-((4-methoxyphenylimino)methyl)phenol

The title compound,（E）-5-methoxy-2-（（4-methoxyphenylimino）methyl）phenol（C15H15NO3）,crystallizes in monoclinic,space group P21/c with a=9.4361（6）,b=10.6212（5）,c=12.9338（9）,β=93.064（5）o,V=1294.41（14）3,Z=4,Dc=1.320 g/cm3,F（000）=544,Rint=0.116,T=296 K,μ=0.09 mm-1,the final R=0.051 and wR=0.148 for 1836 observed reflections with I2σ（I）.An extensive two-dimensional network of C–H…O hydrogen bonds and π-ring interactions are responsible for the crystal stabilization.Intermolecular hydrogen bonds and C–H…π interactions produce R22（14）,R44（30） and R44（31） rings.In addition to the molecular geometry from X-ray experiment,the molecular geometry of the title compound in the ground state has been calculated using the semi-empirical（AM1 and PM3） and density functional theory method（DFT）（B3LYP） with 6-31G（d） basis set.To determine the conformational flexibility,molecular energy profile of the title compound was obtained by semi-empirical（PM3 and AM1） and DFT/B3LYP calculations with respect to the selected degree of torsional freedom,which varied from –180° to ＋180° in a step of 10°.

Structure Analysis of Beta-alumina Synthesized by Solid State Reaction

The crystal structure of a solid electrolyte, beta-A12O3, was investigated by XRD analysis and demonstrated by Diamond software. Its chemical formula was verified by the Ag ion molten salt exchange method and X-ray fluorescence analysis （XRF）. The chemical formula of β- A12O3 is Na2O·8.52A12O3, and its crystal is of hexagonal, space group P63/mmc, with a = 5.5941 A and c = 22.5300 A. The chemical formula of β-Al20 is Na2O·6.03A12O3, and its crystal is of trigonal, space group R3m, with a = 5.6017 A and c = 33.6219 A. The maximum span in the sodion migration of β-phase （2.4283 A） is only about a third of that for the β-phase （6.9037 A）, so the β-phase has higher ionic conductivity than the r-phase.

Isolation and Identification of Staphylococcus chromogenes and 3 D Structural Analysis of the katA Gene

[Objective]Staphylococcus arthritis became an increasingly significant health problem in intensive chicken farming in China.[Method]In this study,a bacteria strain was isolated from the broiler chicken suffering from arthritis and named as the strain Gg1.[Result]It was then identified as Staphylococcus chromogenes by the biochemical tests and phylogenetic tree analysis based on 16S rDNA sequence.Furthermore,the catalase（katA）gene was amplified by PCR using the designed primers,and the expected fragment was 1 232 bp long encoding a protein of 410 amino acids that shares the conserved motifs including catalase,heme-binding ligand and active center motif.Six phosphorylation sites（Ser95,Thr96,Ser241,Ser242,Thr281,Ser338）,four conserved residues（Ser95,His216,Tyr281,Asp341）and two active sites（His56,Asn129）were demonstrated by multiple sequence alignment and homology comparisons.The homology modeling of 3D structure of katA protein was done by SWISSMODEL server based on the template retrieved from the catalase（PDB：2ISA_A）of Vibrio salmonicida.The katA protein represents a four-domain globular protein,the quality and reliability of the resulting protein structure was further verified by Ramachandran plot.[Conclusion]To our knowledge,this is the first report of S.chromogenes linked to arthritis in chicken and the bioinformatic characterization of its katA gene.

Analysis of Reliability for 3-State Device Network with Link-Capacities

This paper presents a concept of the 3-state device system with link-capacity, whichcan, besides its normal operative state, assume two different failure states: an open-mode and ashorted-mode failure state. The 3-state system reliability analysis often uses flow required andprobability of the device to compute the probability of the system with link-capacity. We use themethod of max-flow and min-cut theorem, give four theorems to reduce 3-state device network withlink-capacity reliability problems to 2-state problems. For practical, relevant network sizes (up to100 components), the algorithm is fast and efficient.

Synthesis, Crystal Structure, Fluorescent Property and DFT Calculations of a New Zn(Ⅱ) Complex Based on 3-(2-Pyridyl)-5-(4-pyridyl)-1H-1,2,4-triazole

A new coordination compound Zn（2,4＇-bpt）2（H2O）（1） based on the versatile ligand 2,4＇-Hbpt（2,4？-Hbpt = 3-（2-pyridyl）-5-（4-pyridyl）-1H-1,2,4-triazole） was prepared by hydrothermal reactions. The structure of complex 1 has been characterized by X-ray single-crystal diffraction, elemental analysis, X-ray powder diffraction, IR spectrum analysis and thermogravimetric analysis. Single-crystal X-ray diffraction analysis indicates that the complex belongs to monoclinic system, space group C2/c with a = 23.877（3）, b = 0.7483（9）, c = 1.2492（2） A, b = 92.681（2）°, V = 2230.6（4） A^3, Z = 4, Dc = 1.572 g/cm^3, m = 1.143 mm^-1, Mr = 527.85 and F（000） = 1080. The final R = 0.0581 and wR = 0.0898 with I 〉 2s（I）. 1 is a 0D motif which is connected by hydrogen bonds to form a corrugated 1D pattern. In addition, 1 shows strong photoluminescent emissions in the solid state at room temperature which can be used as potential optical materials. Theoretical calculations based on density functional theory（DFT） were employed in order to explicate the stability and chemical reactivity of 2,4＇-Hbpt with different conformations. The results indicated that conformation I is more stable and prior to coordination in the reactions.

A 3-Node Co-Rotational Triangular Finite Element for Non-Smooth,Folded and Multi-Shell Laminated Composite Structures

Based on the first-order shear deformation theory,a 3-node co-rotational triangular finite element formulation is developed for large deformation modeling of non-smooth,folded and multi-shell laminated composite structures.The two smaller components of the mid-surface normal vector of shell at a node are defined as nodal rotational variables in the co-rotational local coordinate system.In the global coordinate system,two smaller components of one vector,together with the smallest or second smallest component of another vector,of an orthogonal triad at a node on a non-smooth intersection of plates and/or shells are defined as rotational variables,whereas the two smaller components of the mid-surface normal vector at a node on the smooth part of the plate or shell(away from non-smooth intersections)are defined as rotational variables.All these vectorial rotational variables can be updated in an additive manner during an incremental solution procedure,and thus improve the computational efficiency in the nonlinear solution of these composite shell structures.Due to the commutativity of all nodal variables in calculating of the second derivatives of the local nodal variables with respect to global nodal variables,and the second derivatives of the strain energy functional with respect to local nodal variables,symmetric tangent stiffness matrices in local and global coordinate systems are obtained.To overcome shear locking,the assumed transverse shear strains obtained from the line-integration approach are employed.The reliability and computational accuracy of the present 3-node triangular shell finite element are verified through modeling two patch tests,several smooth and non-smooth laminated composite shells undergoing large displacements and large rotations.

3D Seismic Technology Applications to the Analysis of Sedimentary Basins

The recent advances of 3D seismic technique applied in geological study of sedimentary basin analysis were reviewed.The achievements in the study of the sedimentology,structural analysis, fluid-rock interaction and igneous geology were summarized.Because 3D seismic resolution and interpretation technology are enhanced surprisingly。

Crystal Structure, DFT and Electrochemical Property of a Novel C3-symmetrical 1,3,5-Tri（9-ethyl-6-nitrocarbazol-3-yl） Benzene

A novel C3-symmetrical molecule, 1,3,5-tri(9-ethyl-6-nitrocarbazol-3-yl) benzene(IV), was synthesized and characterized by 1 H NMR, 13 C NMR and UV-vis spectroscopy, elemental analyses and X-ray single crystal diffraction analysis. For this complex: C48 H36 N6 O6, Mr = 792.83, triclinic system, space group P1, a = 11.568(6), b = 13.158(7), c = 17.856(10) ?, α = 95.419(9), β = 107.345(8), γ = 114.682(8)o, V = 2281(2) ?3, Z = 2, Dc = 1.154 g/cm3, λ = 0.71073 ?, F(000) = 828, S = 1.083, R = 0.0836 and wR = 0.1926 for 3304 observed reflections with I > 2ζ(I). The compound possesses good thermal stability with the decomposition temperature(Td) of 265 ℃. The absorption and emission spectra show that the compound can emit blue light in CHCl3, and the quantum yield of compound IV in EtOH was 0.66. Furthermore, the electrochemical properties of compound IV were also studied by cyclic voltammetry(CV) method, and the results correspond to the data of theoretical calculation by the Gaussian 09 software.

Moderate Interpretation with Attribute Analysis and 3d Visualization for Deeper Prospects of Balkassar Field, Central Potwar, Upper Indus Basin, Pakistan

Balkassar is an old field with considerable remaining potential. The 2d, 3d seismic and earlier vintages show that Balkassar is composed of two folds that impart heart shaped geometry. It appears likely the early Eocene age Bhadrar formation may provide commercial production with lower water cuts from the eastern lobe (yet untapped) of the structure that may have at least 30 million barrels of unrecovered oil. Horizontal drilling may have promise as an optimum technique for recovery of oil from Paleogene reservoirs. Encouraging oil indications have also been recorded from the early Permian age tobra formation from Balkassar oxy-1 that was not tested by Oxy. Tobra sandstone reservoir can have a matrix porosity approaching 8%. When fractured recoveries from it can be relatively better than the Paleogene reservoirs. The 2D and 3D seismic acquisition has confirmed that the eastern lobe (yet untapped) of the Balkassar field is structurally higher and steeper than the Western lobe which has thus far produced over 30 million barrels. The Eastern lobe thus offers good potential for recovery of oil from the Bhadrar reservoir. The entire field is likely to have potential for recovery of oil from the early Eocene aged Tobra formation. 2-d and 3-D Seismic data interpretation, attribute analysis and visualization for deeper prospect carried in Balksasar field. Tobra and Khewra formation studied for deeper potential drilling. Time contour and depth contour map shows potential for deeper prospects. Also attribute analysis and 3d visualization show good results for deeper potential of Tobra and Khewar formations. Seismic amplitude, Reflection strength, Apparent polarity attribute are visualized and interpreted to find the potential for Tobra and Khewra formation. 3-D visualization also showed positive results for Tobra and Khewra formations.

具有蛋白酶及解旋酶活性的HCV-NS3重组蛋白的纯化及活性分析

为深入探讨HCV-NS3蛋白的酶动力学性质,制备了具有蛋白酶及解旋酶活性的HCVNS3重组蛋白。利用PCR扩增HCV非结构基因NS3,插入pPIC9,测序分析。携带NS3基因的重组质粒(pPIC9-NS3)转化毕氏酵母菌菌株GS115,甲醇诱导表达NS3蛋白。重组蛋白首先采用Hitrapchelating柱进行亲和分离,之后使用MonoSHR柱进一步纯化。对纯化后的NS3重组蛋白的酶活性进行分析,结果表明,获得的重组蛋白分别具有蛋白酶及解旋酶活性。本研究为深入探讨NS3编码酶的功能和开发抗病毒药物创造条件。

4-F-α-PVP类似物4-F-3-Methyl-α-PVP盐酸盐的结构解析与表征

目的研究在没有对照品的情况下鉴定检材中1-(4-氟苯基)-2-(N-吡咯烷基)-1-戊酮[1-(4-fluorophenyl)-2-(1-pyrrolidinyl)pentan-1-one,4-F-α-PVP]类似物1-(4-氟-3甲基苯基)-2-(N-吡咯烷基)-1-戊酮[1-(4-fluoro-3-methyl phenyl)-2-(1-pyrrolidinyl)pentan-1-one,4-F-3-Methyl-α-PVP]盐酸盐的方法。方法综合利用直接进样电子电离-质谱(electron ionization-mass spectrometry,EI-MS)、GCMS、电喷雾离子化-高分辨质谱(electrospray ionization-high resolution mass spectrometry,ESI-HRMS)、超高效液相色谱-高分辨串联质谱(ultra-high performance liquid chromatography-high resolution tandem mass spectrometry,UPLC-HRMS/MS)、核磁共振(nuclear magnetic resonance,NMR)、离子色谱和傅里叶变换红外光谱法(Fourier transform infrared spectroscopy,FTIR),实现对检材中未知化合物的结构解析与表征,并对该化合物在EI-MS和UPLC-HRMS/MS两种质谱分析方式下生成碎片离子的裂解机制进行推导。结果通过对检材中化合物的直接进样EI-MS、GC-MS、ESI-HRMS和UPLC-HRMS/MS分析,推断出未知化合物为4-F-α-PVP的结构类似物,可能苯环中多了1个甲基。根据核磁共振氢谱(1H-nuclear magnetic reso⁃nance,1 H-NMR)、核磁共振碳谱(13C-nuclear magnetic resonance,13C-NMR)等分析结果,进一步证明了甲基的位置在苯环的3-位。由于1H-NMR分析中实际氢的个数比4-F-3-Methyl-α-PVP中性分子多1个,推断该化合物以盐形式存在。离子色谱法分析结果表明该化合物含氯离子(含量11.14%~11.16%),结合FTIR对主要官能团信息的结构分析,最终确定该未知化合物为4-F-3-Methyl-α-PVP盐酸盐。结论建立了综合利用EI-MS、GC-MS、ESI-HRMS、UPLC-HRMS/MS、NMR、离子色谱和FTIR鉴定检材中4-F-3-Methyl-α-PVP盐酸盐的方法,将有助于法庭科学实验室在案件中鉴定该物质或其他具有类似结构的化合物。