Filtry
wszystkich: 176
wybranych: 169
Wyniki wyszukiwania dla: RIGID AND SEMI-RIGID CONNECTION
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Molecular basis and potential activity of HIV-1 reverse transcriptase toward trimethylamine-based compounds
PublikacjaReverse transcriptase (RT) inhibitors are currently used to treat human immunodeficiency virus (HIV)-1 infections. In this work, novel triethylamine derivatives were designed and studied by rigid and flexible docking and molecular dynamics (MD) approaches. An apo form of HIV-1 RT was also studied by MD simulation to analyze comparative response of protein in ligand-bound and ligand-unbound forms. Among newly designed HIV-1 RT inhibitors,...
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Is mesh fixation necessary in laparoendoscopic techniques for M3 inguinal defects? An experimental study.
Publikacjarepairs, in case of large direct hernias (M3) mesh fixation is recommended to reduce recurrence risk. Despite lack of highquality evidence, the recommendation was upgraded to strong by expert panel. The authors conducted a research experiment to verify the hypothesis that it is possible to preserve the mesh in the operating field in large direct hernias (M3) without the need to use fixing materials. Method The authors conducted...
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Investigation method of large-volume tire with mobile test rig
PublikacjaThe goal of this research is to develop the tire test method and mobile tire test rig. The test rig enables measurement of tire properties as stiffness and viscous damping in vertical direction, and tire–ground characteristics on the asphalt rigid surface. The tire-ground characteristics are measured by force and a torque measurement hub. The design, calibration and the algorithm for calculating the forces in the wheel center are...
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Comparative 3D DEM simulations of sand–structure interfaces with similarly shaped clumps versus spheres with contact moments.
PublikacjaThree-dimensional simulations of a monotonic quasi-static interface behaviour between initially dense cohesionless sand and a rigid wall of different roughness during tests in a parallelly guided direct shear test under constant normal stress are presented. Numerical modelling was carried out by the discrete element method (DEM) using clumps in the form of convex non-symmetric irregularly shaped grains. The clumps had an aspect...
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Structural and dynamic properties of water within the solvation layer around various conformations of the glycine-based polypeptide
PublikacjaSeveral conformations of the solvated glycine-based polypeptides were investigated using molecular dynamics simulations. Some properties of water in the neighbouring space around these molecules were investigated. It was found, that water forms a well-defined layer - the first solvation shell - around the peptide molecule, and thickness of this layer is independent of the peptide structure, and it equals to approximately 0.28 nm....
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Degradation of a nano-cutting tool: an MD simulation
PublikacjaW pracy przedstawiono wyniki symulacji wielokrotnego oddziaływania realistycznie ukształtowanego ostrza tnącego z modelowym, nieskończenie twardym ziarnem, przy zastosowaniu metody dynamiki molekularnej. Ostrze składało się z kilkuset tysięcy atomów metalu fcc, traktowanego za pomocą potencjału Suttona-Chena, przesuwane było ze stałą prędkością 20 m/s. Obserwowane deformacje plastyczne pojawiające się na skutek kontaktu ostrza...
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Application of the finite element methods in long-term simulation of the multi-physics systems with large transient response differences
PublikacjaApplication of the Finite Element Method (FEM) and the Multibody Dynamics Method allows analyzing of complex physical systems. Complexity of the system could be related both to the geometry and the physical description of phenomenon. The metod is the excellent tool for analyzing statics or dynamics of the mechanical systems, and permits tracking of Multi Body System (MBS) transient response for the long-term simulations and application...
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Molecular Design Using Selected Concentration Effects in Optically Activated Fluorescent Matrices
PublikacjaMolecular physics plays a pivotal role in various fields, including medicine, pharmaceuticals, and broader industrial applications. This study aims to enhance the methods for producing specific optically active materials with distinct spectroscopic properties at the molecular level, which are crucial for these sectors, while prioritizing human safety in both production and application. Forensic science, a significant socio-economic...
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Application of foam made of post-consumer pet materials for the construction of footbridges
PublikacjaThe article presents the possibility of application in civil engineering of highly ecological PET foam, manufactured from 100% recycled plastic packaging. It may find uses in construction of numerous engineering structures, such as pedestrian and cycle footbridges. Properly processed waste from post-consumer PET packaging may constitute a quality structural core for use in multilayered composite materials, commonly referred to...
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Structural and Dynamic Properties of Water within the Solvation Layer around Various Conformations of the Glycine-based Polypeptide
PublikacjaSeveral conformations of the solvated glycine-based polypeptides were investigated using molecular dynamics simulations. Some properties of water in the neighboring space around these molecules were investigated. It was found that water forms a well-defined layer—the first solvation shell—around the peptide molecule, and thickness of this layer is independent of the peptide structure and is equal to approximately 0.28 nm. Within...
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Structural, thermal and physico-mechanical properties of polyurethane/brewers’ spent grain composite foams modified with ground tire rubber
PublikacjaIn this work, brewers’ spent grain (BSG) and ground tire rubber (GTR) waste fillers were applied as low-cost reinforcement phase in rigid polyurethane foam (PUR). PUR/BSG/GTR composites were prepared by a single step method, using polyglycerol as partial substitute of commercially available petrochemical polyols. Foaming parameters, chemical structure, dynamic mechanical properties, thermal stability, physico-mechanical properties...
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Forced vibrations in a dynamic system that is damped by a mechanism that trans-pass through its singular position
PublikacjaIn the paper, vibrations of a hybrid multibody-continuous system are investigated. For all the mechanical devices, effective damping methods are crucial in the design process. To obtain it, installation of viscous dampers or elasto-viscous elements is dominant. In the paper, an alternative method is investigated. It is based on modal disparity. To describe the method briefly, when structural damping is present in continuous systems,...
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Nonconventional 1,8-Diazafluoren-9-One Aggregates for Green Light Enhancement in Hybrid Biocompatible Media
PublikacjaOrganic aggregates currently play a prominent role, mainly for their unique optoelectronic properties in the aggregated state. Such properties can be related to the aggregates’ structure and the molecular packing mode. In the literature, we have well-established models of H and J aggregates defined based on the molecular exciton model. However, unconventional aggregates, the most unrecognized forms, have been generating interest...
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Contr-rotating eccentric-mass rotors used as exciters of sinusoidal forces applied to elastically supported bodies
PublikacjaThe work focuses on aspects of multibody dynamics. Investigated object is a mass driven by rotations of an inertial shaker. Resulting vibrational set consists of two counter-rotating identically-unbalanced rotors. Since the mass centres of the rotors do not coincide with the axes of their rotations, significant centrifugal forces arise during rotations. As both rotors are identically unbalanced, the inter-axial force components...
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White light thermoplasmonic activated gold nanorod arrays enable the photo-thermal disinfection of medical tools from bacterial contamination
PublikacjaThe outspread of bacterial pathogens causing severe infections and spreading rapidly, especially among hospitalized patients, is worrying and represents a global public health issue. Current disinfection techniques are becoming insufficient to counteract the spread of these pathogens because they carry multiple antibiotic-resistance genes. For this reason, a constant need exists for new technological solutions that rely on physical...
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Numerical and Clinical Analysis of an Eyeball Injuries under Direc Impact
PublikacjaObjectives: The objective of this study was to develop a numerical model of the eyeball and orbit to simulate a blunt injury to the eyeball leading to its rupture, as well as to conduct a comparative analysis of the results obtained using the finite element method against the clinical material concerning patients who had suffered an eyeball rupture due to a blunt force trauma. Material and Methods: Using available sclera biometric and...
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Simulation of the response of base-isolated buildings under earthquake excitations considering soil flexibility
PublikacjaThe accurate analysis of the seismic response of isolated structures requires the incorporation of the flexibility of supporting soil. However, it is often customary to idealize the soil as rigid during the analysis of such structures. In the present paper, seismic response time history analyses of base-isolated buildings modelled as single degree-of-freedom (SDOF) and multi degree-of-freedom (MDOF) systems with linear and nonlinear...
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Coarse-grained simulation - an efficient approach for studying motions of large proteins
PublikacjaOne of the most important challenges in performing Molecular Dynamics (MD) simulations of large protein complexes is to accommodate the model accuracy and the simulation timescale. Hitherto, for the most relevant dynamics of protein aggregates in an explicit aqueous environment, the timescale reachable for the all-atoms simulations is of hundreds of nanoseconds. This range is four to six orders of magnitude smaller than processes...
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Quantum-classical calculations of the nanomechanical properties of metals
PublikacjaTradycyjnie symulacje komputerowe układów w skali atomowej prowadzone są przy użyciu klasycznej metody dynamiki molekularnej (MD) bądź kwantowych metod ab initio. Główną wadą ujęcia klasycznego jest jego empiryczna natura, a co za tym idzie - niewielka przenośność, jego prostota natomiast pozwala na przeprowadzanie symulacji układów zawierających miliony atomów. W wyniku zastosowania metod kwantowych otrzymuje się bardziej wiarygodne...