Tetrahydroxy Cyclic Urea-Potent Inhibitor for HIV-1 Protease Wild Type and Mutant Type—A Computational Design by S. Sree Kanth, M. Vijjulatha

“…The designed molecules were compared with the known cyclic urea molecules by performing docking studies on six of wild type protein and three mutant protein varieties and calculating their ADME properties. A series of novel molecules were designed by substituting hydrogen at the P1/ P1′ positions with hydroxyl group increasing the bioavailability these had better ADME properties and binding affinity towards HIV-1 protease. …”
Get full text

Effect of Low-Stress Fatigue on the Off-Crack-Plane Fracture Energy in Engineered Cementitious Composites by Longlong Liu, Shuling Gao, Jianda Xin, Dahai Huang

“…The composite fracture energy and fiber-bridging fracture energy were calculated by the J integral. It is observed that the number of cracks increased with the increment of stress levels, and most of the cracks were formed during the earlier stage of the dynamic test. …”
Get full text

Analog Hawking radiation from a spin-sonic horizon in a two-component Bose–Einstein condensate by Berti, Anna, Fernandes, Lennart, Butera, Salvatore,  Recati, Alessio, Wouters, Michiel, Carusotto, Iacopo

“…In particular, we go beyond the relativistic regimes previously addressed in the literature, and identify various observables that show a signature of the Hawking process, as well as additional features associated with the massive nature of the modes, such as undulations. Semi-analytical calculations of the scattering properties of the horizon and of two-point correlation functions of the emitted radiation in an ideal stationary setup are supported by time-dependent numerical simulations based on Gross–Pitaevskii and Bogoliubov theory.…”
Get full text

Modelling and Simulation on Penetration into Stone Concrete by He Huang, Duo Zhang, Lirong Cheng

“…At last, a method for fast calculation of penetration into stone concrete is introduced.…”
Get full text

Dynamics of water pollution concentration with uniform and exponential increment of pollutants by Jeevan Kafle, Ranjan Kumar Chaudhary, Bekha Ratna Dangol

“…The relative errors calculated for uniform and exponential increment of pollutants at the source are compared while studying the dynamics of the concentration. …”
Get full text

Computational modeling of anodic current distribution and anode shape change in aluminium reduction cells by Xu Y., Li J., Zhang H., Lai Y.

“…In this paper, a two-dimension model based on Laplace equation and Tafel equation was built up to calculate the secondary current distribution, and the shift of anode shape with time was simulated with arbitrary Lagrangian-Eulerian method. …”
Get full text

MORBIDITY AND MORTALITY FROM MALIGNANT NEOPLASMS ASSOCIATED WITH HUMAN PAPILLOMAVIRUS by O. P. Gretsova, A. A. Kostin, Yu. V. Samsonov, G. V. Petrova, M. Yu. Prostov, Yu. I. Prostov

“…The statistics used in the article is calculated according to the annual state reporting documentation of the statistical form of the Ministry of health No. 7 and No. 35, forms 5 and Rosstat data, the combined database of the state of the cancer register of the Russian Federation.…”
Get full text

Synthesis of an adaptive cylindrical gear with arched teeth with two contact zones spaced along the length of the tooth by V. N. Syzrantsev, A. I. Starikov

“…Solved and illustrated by examples of the problem of calculating the parameters of the process of shaping the surfaces of arched teeth, which ensure the passage of two active lines in the meshing of the teeth through the given centers of the contact patches and the law of change of the transfer function required for the implementation of the approximate nature of the meshing.…”
Get full text

Analysis of Rattleback Chaotic Oscillations by Michael Hanias, Stavros G. Stavrinides, Santo Banerjee

“…The emerging chaotic behaviour in all three cases has been studied and evaluated by the related time-series analysis and the calculation of the strange attractors’ invariant parameters.…”
Get full text

FATIGUE LIFE ANALYSIS OF WING WITH HIGH ASPECT RATIO BASED ON BIDIRECTIONAL FLUID-STRUCTURE COUPLING by LI Jin Yang, WANG JunLi, LEI Shuai, FENG YuRu, DU TianWei

“…Based on the Miner linear cumulative damage theory and the finite element analysis method, the fatigue life of the wing with high aspect ratio at different angles of attack was calculated.Firstly, based on the N-S equation, the displacement, stress and strain of the wing structure in cruise state are solved by using the bidirectional fluid-structure coupling method.Secondly, the fatigue life of the wing structure is analyzed, and the fatigue life of the wing structure at the weak position and different angles of attack is obtained.The results show that the fatigue weakness of the wing with high aspect ratio tends to occur at the leading edge and the wing root, and the life of the leading edge increases from the wing tip to the wing root along the wing span.The life of the wing is closely related to the change of Angle of attack and airfoil parameters, and there is generally a maximum life Angle of attack under a given flight condition.…”
Get full text

Study on Impeller Fracture Model Based on Vibration Characteristics and Fractal Theory by Xiaolong Zhang, Ruishan Yuan, Yonghui Xie

“…Then the von Mises stress under the centrifugal force is calculated, and the corresponding impeller failure process is simulated by “element life and death technology” in ANSYS. …”
Get full text

CMM-Based Volumetric Assessment Methodology for Polyethylene Tibial Knee Inserts in Total Knee Replacement by Wei Jiang, Cuicui Ji, Zhongmin Jin, Yuntian Dai

“…The volume and linear wear of the tibial inserts were calculated using the presented method based on the coordinates acquired by the CMM. …”
Get full text

Analytical Bending Solutions of Orthotropic Rectangular Thin Plates with Two Adjacent Edges Free and the Others Clamped or Simply Supported Using Finite Integral Transform Method by Qian Xu, Zhong Yang, Salamat Ullah, Zhang Jinghui, Yuanyuan Gao

“…Compared with the conventional methods, the employed method eliminates the need to preselect the deflection function, which makes it more reasonable and theoretical for calculating the mechanical responses of the plates. …”
Get full text

Dynamic Response of Crossanisotropic Layered Media with Imperfect Interface under Axisymmetric Loads by Zejun Han, Chengchao Guo, Linqing Yang, Jin Zhang, Kai Sun

“…The SEM was employed for the summation in the integral calculation to avoid the infinite integral in the integral transformation and greatly improve the efficiency of the solution to the dynamic response of the crossanisotropic layered half-space medium. …”
Get full text

Research on Adjoint Kernelled Quasidifferential by Si-Da Lin, Fu-Min Xiao, Zun-Quan Xia, Li-Ping Pang

“…Although the kernelled quasidifferential is known to have good algebraic properties and geometric structure, it is still not very convenient for calculating the kernelled quasidifferentials of −f and minfi∣i∈a finite index set I, where f and fi are kernelled quasidifferentiable functions. …”
Get full text

Comparison of Natural Radioactivity of Commonly Used Fertilizer Materials in Egypt and Japan by Nabil M. Hassan, Byung-Uck Chang, Shinji Tokonami

“…The radiological hazards of radium equivalent activity (Raeq), external (Hex) and internal (Hin) indexes, alpha and gamma indexes, and annual effective dose, due to the presence of these radionuclides, were calculated and compared with each other.…”
Get full text

Construction of Nonsinusoidal Oscillation Waveform Function and Technological Parameters for Continuous Casting Mold by Chao Zhou, Xingzhong Zhang, Fang Wang, Subo Ren

“…By analyzing the parameters of oscillation technology, the calculation method of each oscillation technological parameter for seven section functions was presented and the multitechnological parameter curves were given. …”
Get full text

On the Validity of the Dynamical Mean-Field Approximation for Studying the Two-Dimensional Hubbard Model on a Square Lattice by A. N. Ribeiro, C. A. Macedo

“…In this situation, we calculate the specific heat and find that when the filling decreases, that is, antiferromagnetic correlations become less important, the agreement between DMFA and QMC results increases. …”
Get full text

Rapid Focused Spot Scanning Imaging Using Multimode Fiber with a Convolutional Neural Network-Based Phase Modulation by Rongjing Tong, Anni Xu, Hua Shen

“…This approach efficiently focuses light fields by training neural networks to approximate the transmission matrix of the optical system, eliminating the need for iterative calculations. Experimental results indicate that this method can generate focused spots within 200 ms, representing a significant improvement over traditional methods. …”
Get full text

Community Structure of Terrestrial Invertebrates Inhabiting a Tidal Marsh Islet in the Mediterranean Sea (Gulf of Gabes, Tunisia) by I. Colombini, L. Chelazzi, M. Fallaci

“…Diversity indices were calculated for coleopterans and isopods alone. The structure of the arthropod community varied a great deal from one season to the other and differences were found when seaward areas were compared with landward ones. …”
Get full text