Filtry
wszystkich: 5425
wybranych: 4750
-
Katalog
- Publikacje 4750 wyników po odfiltrowaniu
- Czasopisma 258 wyników po odfiltrowaniu
- Konferencje 33 wyników po odfiltrowaniu
- Osoby 72 wyników po odfiltrowaniu
- Projekty 7 wyników po odfiltrowaniu
- Kursy Online 42 wyników po odfiltrowaniu
- Wydarzenia 2 wyników po odfiltrowaniu
- Dane Badawcze 261 wyników po odfiltrowaniu
Filtry wybranego katalogu
wyświetlamy 1000 najlepszych wyników Pomoc
Wyniki wyszukiwania dla: molecular dynamic simulation
-
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....
-
Numerical analysis by FEM and analytical study of the dynamic thermal behavior of hollow bricks with different cavity concentration
PublikacjaThis paper presents the investigation results on the influence of the cavity concentration in hollow bricks on static and dynamic thermal parameters: a time lag, a decrement factor, an equivalent thermal diffusivity (ETD) and an equivalent thermal conductivity (ETC). The dynamic thermal behavior of hollow bricks is studied with an optimized cavity shape to reduce the intensity of radiation and convective heat exchange. The thermal...
-
Numerical analysis by FEM and analytical study of the dynamic thermal behavior of hollow bricks with different cavity concentration
PublikacjaThis paper presents the investigation results on the influence of the cavity concentration in hollow bricks on static and dynamic thermal parameters: a time lag, a decrement factor, an equivalent thermal diffusivity (ETD) and an equivalent thermal conductivity (ETC). The dynamic thermal behavior of hollow bricks is studied with an optimized cavity shape to reduce the intensity of radiation and convective heat exchange. The thermal...
-
Effective Formula for Impact Damping Ratio for Simulation of Earthquake-induced Structural Pounding
PublikacjaStructural pounding during earthquakes may cause substantial damage to colliding structures. The phenomenon is numerically studied using different models of collisions. The aim of the present paper is to propose an effective formula for the impact damping ratio, as a parameter of the impact force model used to study different problems of structural pounding under seismic excitations. Its accuracy has been verified by four various...
-
Collagen type II–hyaluronan interactions – the effect of proline hydroxylation: a molecular dynamics study
PublikacjaHyaluronan–collagen composites have been employed in numerous biomedical applications. Understanding the interactions between hyaluronan and collagen is particularly important in the context of joint cartilage function and the treatment of joint diseases. Many factors affect the affinity of collagen for hyaluronan. One of the important factors is the ratio of 3- or 4-hydroxy proline to proline residues. This article presents...
-
Simulation-Driven Antenna Modeling by Means of Response Features and Confined Domains of Reduced Dimensionality
PublikacjaIn recent years, the employment of full-wave electromagnetic (EM) simulation tools has become imperative in the antenna design mainly for reliability reasons. While the CPU cost of a single simulation is rarely an issue, the computational overhead associated with EM-driven tasks that require massive EM analyses may become a serious bottleneck. A widely used approach to lessen this cost is the employment of surrogate models, especially...
-
Simulation Model for Application of the SDN Concept in IMS/NGN Network Transport Stratum
PublikacjaThe paper presents a simulation model allowing examination of cooperation between two currently used telecommunication networks concepts: IP Multimedia Subsystem/Next Generation Network (IMS/NGN) and Software-Defined Networking (SDN). Application of the SDN architecture elements in IMS/NGN networks will enable unified control and management of transport resources for various transport technologies and equipment manufacturers. However,...
-
Dynamic Execution of Engineering Processes in Cyber-Physical Systems of Systems Toolchains
PublikacjaEngineering tools support the process of creating, operating, maintaining, and evolving systems throughout their lifecycle. Toolchains are sequences of tools that build on each others' output during this procedure. The complete chain of tools itself may not even be recognized by the humans who utilize them, people may just recognize the right tool being used at the right place in time. Modern engineering processes, however, do...
-
Effect of Nanohydroxyapatite on Silk Fibroin–Chitosan Interactions—Molecular Dynamics Study
PublikacjaFibroin–chitosan composites, especially those containing nanohydroxyapatite, show potential for bone tissue regeneration. The physicochemical properties of these biocomposites depend on the compatibility between their components. In this study, the intermolecular interactions of fibroin and chitosan were analyzed using a molecular dynamics approach. Two types of systems were investigated: one containing acetic acid and the other...
-
Simulation research on the tool cycle in automated manufacturing system at selected tool duplication levels
PublikacjaThe paper presents results of the research concerning impact of applied tool exchange rule on the efficiency of an automated manufacturing system. The research consider the tool duplication levels that constrain realisation of a manufacturing process. Presented study was based on the real industrial system data. The operating of the investigated system of manufacture, including tools necessary for its realisation, was modelled...
-
Energetic model of hydraulic system of refuse collection vehicle based on simulation and experimental data
PublikacjaThis paper presents an energetic model of hydraulic system of a refuse collection vehicle. First, benefits resulting from implementation of an energetic model in the industry and operation of a Refuse Collection Vehicle are briefly explained. Then, components of the energy consumption in hydraulic circuits of compactor and lifting device are described and combined into a comprehensive model that can be evaluated using basic measurement...
-
Development and application of asphalt binder relaxation test in different dynamic shear rheometers
PublikacjaIn this study, a novel relaxation test is proposed to evaluate asphalt binder low temperature properties using a Dynamic Shear Rheometer (DSR) with parallel plates of 4 mm in diameter. Three rheometers from three different manufacturers are used to analyze seven asphalt binders. Different material parameters are derived which are useful to evaluate and discriminate different asphalt binders. Test results of all three instruments...
-
Modelling and Simulation of a New Variable Stiffness Holder for Milling of Flexible Details
PublikacjaModern industry expectations in terms of milling operations often demand the milling of the flexible details by using slender ball-end tools. This is a difficult task because of possible vibration occurrence. Due to existence of certain conditions (small depths of cutting, regeneration phenomena), cutting process may become unstable and self-excited chatter vibration may appear. Frequency of the chatter vibration is close to dominant...
-
Low-energy electron scattering from molecular hydrogen: Excitation of the X1Σg+ to b3Σu+ transition
PublikacjaWe present time-of-flight differential cross-section measurements and convergent close-coupling calculations of differential cross sections for the electron-impact excitation of the X 1 g + → b 3 u + transition in molecular hydrogen. A part of this work was recently published [M. Zawadzki et al., Phys. Rev. A 97, 050702(R) (2018)]. In this work, agreement between theory and experiment is excellent overall, and marks a transition...
-
Hopping or Tunneling? Tailoring the Electron Transport Mechanisms through Hydrogen Bonding Geometry in the Boron-Doped Diamond Molecular Junctions
PublikacjaMechanisms of charge transport in molecular junctions involving hydrogen bonds are complex and remain mostly unclear. This study is focused on the elucidation of the electron transfer in a molecular device consisting of two boron-doped diamond interfaces bound with an aromatic linker and a hydrogen bonding surrogating molecule. The projected local density of states (PLODS) analysis coupled with transmission spectra and current−voltage...
-
Ship weather routing optimization with dynamic constraints based on reliable synchronous roll prediction
PublikacjaShip routing process taking into account weather conditions is a constrained multi-objective optimization problem and it should consider various optimization criteria and constraints. Formulation of a stability-related, dynamic route optimization constraint is presented in this paper. One of the key objectives of a cross ocean sailing is finding a compromise between ship safety and economics of operation. This compromise should...
-
Fast surrogate-assisted simulation-driven design of compact microwave hybrid couplers
PublikacjaThis work presents a robust methodology for expedited simulation-driven design optimization of compact microwave hybrid couplers. The technique relies on problem decomposition, and a bot-tom–up design strategy, starting from the level of basic building blocks of the coupler, and finishing with a tuning procedure that exploits a fast surrogate model of the entire structure. The latter is constructed by cascading local response surface...
-
Synthesis, Molecular Structure, Anticancer Activity, and QSAR Study of N-(aryl/heteroaryl)-4-(1H-pyrrol-1-yl)Benzenesulfonamide Derivatives
PublikacjaA series of N-(aryl/heteroaryl)-4-(1H-pyrrol-1-yl)benzenesulfonamides were synthesized from 4-amino-N-(aryl/heteroaryl)benzenesulfonamides and 2,5-dimethoxytetrahydrofuran. All the synthesized compounds were evaluated for their anticancer activity on HeLa, HCT-116, and MCF-7 human tumor cell lines. Compound 28, bearing 8-quinolinyl moiety, exhibited the most potent anticancer activity against the HCT-116, MCF-7, and HeLa cell lines,...
-
Molecular structure and electrochemical properties of alkyldithiocarbamates.
PublikacjaZastosowano klasyczne metody elektroanalityczne do badania właściwości redoks ditiokarbaminianów litu w środowisku dimetylosulfotlenku. Użyto elektrody z platyny i węgla szklistego. Badane związki zsyntezowano z N,N'-dimetyloetylenodiaminy, do której podstawiono jedną lub dwie grupy ditiokarbonylowe na drodze reakcji z CS2 w środowisku alkalicznym. Stwierdzono, że elektrochemiczne utlenianie ditiokarbaminianów przebiega z udziałem...
-
Fifth Workshop on Atomic and Molecular Physics
Publikacja -
Molecular modelling of a psychrophilic β-galactosidase
PublikacjaAntarktyczny szczep, gram-ujemnych bakterii, wyizolowanych z przewodu pokarmowego kryla z gatunku Thyssanoessa macrura, sklasyfikowany na podstawie analizy sekwencji nukleotydowej geny 16S rDNA jako Pseudoalteromonas sp. 22b jest producentem wewnątrzkomórkowej zimnolubnej beta-galaktozydazy. Ponieważ enzym ten wykazuje wysoką aktywność katalityczną w zakresie temperatur od 0 do 30 stC, stanowi on atrakcyjny biokatalizator, użyteczny...
-
Molecular Origin of Anticooperativity in Hydrophobic Association
Publikacja -
Molecular Dynamics Studies on Amyloidogenic Proteins
Publikacja -
Molecular Dynamics Studies on Amyloidogenic Proteins
Publikacja -
Molecular Analysis of Retrogradation of Corn Starches
Publikacja -
An ancestral molecular response to nanomaterial particulates
Publikacja -
Molecular Modeling of Meta II Rhodopsin
Publikacja -
Probing Radiation Damage at the Molecular Level
Publikacja -
Generating molecular entities as structured data
Publikacja -
The molecular entities in linked data dataset
Publikacja -
Cellular and molecular basis of thyroid autoimmunity
Publikacja -
ELECTRON ATTACHMENT TO HETEROGENEOUS MOLECULAR CLUSTERS
PublikacjaHeterogeneous clusters are unique model species enabling studies of bulk and surface processes by vacuum restricted methods. This is of particular importance for the reactions of low-energy electrons which have extremely short penetration depth in bulk environments. This contribution overviews our recent experiments with low-energy electrons and clusters prepared by different techniques. First, the deposition of molecules on argon...
-
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...
-
Fuzzy rule-based dynamic gesture recognition employing camera & multimedia projector
PublikacjaIn the paper the system based on camera and multimedia projector enabling a user to control computer applications by dynamic hand gestures is presented. The main objective is to present the gesture recognition methodology which bases on representing hand movement trajectory by motion vectors analyzed using fuzzy rule-based inference. The approach was engineered in the system developed with J2SE and C++ / OpenCV technology. OpenCV...
-
Dynamic fracture of brittle shells in a space-time adaptive isogeometric phase field framework
PublikacjaPhase field models for fracture prediction gained popularity as the formulation does not require the specification of ad-hoc criteria and no discontinuities are inserted in the body. This work focuses on dynamic crack evolution of brittle shell structures considering large deformations. The energy contributions from in-plane and out-of-plane deformations are separately split into tensile and compressive components and the resulting...
-
Endothelial dysfunction due to eNOS uncoupling: molecular mechanisms as potential therapeutic targets
PublikacjaNitric oxide (NO) is one of the most important molecules released by endothelial cells, and its antiatherogenic properties support cardiovascular homeostasis. Diminished NO bioavailability is a common hallmark of endothelial dysfunction underlying the patho‑ genesis of the cardiovascular disease. Vascular NO is synthesized by endothelial nitric oxide synthase (eNOS) from the substrate L‑arginine (L‑Arg), with tetrahydrobiopterin...
-
Molecular dynamics study of the influence of calcium ions on the conformation of gelsolin S2 domain
Publikacja -
Molecular mechanism(s) of regulation(s) of c-MET/HGF signaling in head and neck cancer
Publikacja -
Molecular identification and genotyping of Staphylococci: genus, species, strains, colnes, lineages, and interspecies exchanges
PublikacjaStaphylococci are increasingly recognized as etiological agents of many opportunistic human and animal infections, emphasizing the need for a rapid and accurate identification, even to a genotypical level of these bacteria. In the recent years, there has been a significant progress in typing and phylogenetic study of Staphylococcus species. Here, we describe molecular methods used in taxonomy as well as staphylococci characterization....
-
THE IDENTIFICATION OF TOXIC COMPOUND EMISSION SENSITIVITY AS A DIAGNOSTIC PARAMETER DURING DYNAMIC PROCESSES OF THE MARINE ENGINE
PublikacjaChanging some parameters of the engine structure alters the emission of harmful components in the exhaust gas. This applies in particular to the damage of charge exchange system as well as fuel system and engine supercharger. These changes are much greater during the dynamic states and their accompanying transitional processes. The different sensitivity of diagnostic parameters to the same force, coming from the engine structure,...
-
Simulation-driven size-reduction-oriented design of multi-band antennas by means of response features
PublikacjaThis study addresses the problem of explicit size reduction of multi-band antennas by means of simulation-driven optimisation. The principal difficulty of electromagnetic (EM)-based miniaturisation of multi-band antennas is that several resonances have to be controlled independently (both in terms of their frequency allocation and depth) while attempting to reduce physical dimensions of the structure at hand. The design method...
-
Dynamic analysis of a satellite with feexible link
PublikacjaW artykule przedstawiono model przestrzenny satelity złożonego z dowolnej liczby podatnych ramion. Układ taki jest przykładem otwartego łańcucha kinematycznego o strukturze drzewa. Do dyskretyzacji członków podatnych zastosowano modyfikację metody sztywnych elementów skończonych. Równania ruchu wyprowadzono z równań Lagrange'a II rodzaju, stosując do opisu ruchu ciał współrzędne złączowe oraz przekształcenia jednorodne. W symulacjach...
-
Fractional Order Models of Dynamic Systems
Publikacja -
Monitoring of metal structures with the dynamic methods
Publikacja -
Detection methods of dynamic spammer's behavior
PublikacjaPoczta elektroniczna ze względu na swoją naturę jest bardzo podatna na zjawisko spamu. Oddzielanie spamu od dobrych wiadomości jest zadaniem żmudnym i pracochłonnym. Dlatego jest rzeczą istotną opracowanie skutecznej metody walki ze spamem uwzględniającej nie tylko aktualne metody działania spamerów, ale również wzięcie pod uwagę dynamicznych aspektów zmieniających się stale ich zachowań.Artykuł opisuje metodę klasyfikacji wiadomości...
-
Dynamic Analysis of Enterprise Business Scenarios
PublikacjaW artykule przedstawiono system wspomagający projektowanie i poprawęscenariuszy procesów biznesowych. Scenariusze są wykonywane oraz monitorowane w środowisku SOA. Zaproponowany system oferuje dynamiczne gromadzenie i ocenianie metryk scenariuszy. Na podstawie wyników analizy wydajność, jakość oraz użyteczność scenariuszy są ulepszane. Dzięki elastycznemu API, system obsługuje dowolną rozszerzalną technologię wykonania scenariuszy...
-
SIMPLIFIED DYNAMIC MODEL OF ROTATING BEAM
PublikacjaIn the paper a hybrid model of rotating beam is presented. It was obtained by using two methods: modal decomposition and spatial discretization. Reduced modal model was built for the system without the load related to inertia forces that occur during beam rotation. This inertia load was next modeled by using the method of simply spatial discretization and combined with reduced modal model. This approach allows to obtain accurate...
-
Dynamic analysis of temporary steel grandstand equipped with different types of bracing system
PublikacjaIn the paper, behaviour of a temporary steel grandstand equipped with two different types of bracing system has been analysed through the numerical study. A typical solution concerning application of a diagonal tubular members has been compared with elements proposed by authors and called polymer dampers. A polymer element consists of two L-shape steel members bonded with polymer mass. The aim of the paper is to verify the effectiveness...
-
Dynamic modeling of non-cylindrical curved viscoelastic single-walled carbon nanotubes based on the second gradient theory
PublikacjaThis paper is devoted to the theoretical study of the dynamic response of non-cylindrical curved viscoelastic single-walled carbon nanotubes (SWCNTs). The curved nanotubes are largely used in many engineering applications, but it is challenging in understanding mechanically the dynamic response of these curved SWCNTs when considering the influences of the material viscosity. The viscoelastic damping effect on the dynamic response...
-
Active dynamic thermography method for TRAM flap blood perfusion mapping in breast reconstruction
PublikacjaThis paper presents the new method of the transverse rectus abdominis musculocutaneous flap blood perfusion mapping based on the active dynamic thermography. The method is aimed at aiding a surgeon during breast reconstruction procedure. A pair of dTnorm and t90_10 parameters were used as parametric image descriptors of the flap blood perfusion. The method was tested on 38 patients that were subjected to breast reconstruction procedure....