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Wyniki wyszukiwania dla: DYNAMIKA KRAJOBRAZU
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Combining the MARTINI and Structure-Based Coarse-Grained Approaches for the Molecular Dynamics Studies of Conformational Transitions in Proteins
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Modelling of a medium-term dynamics in a shallow tidal sea, based on combined physical and neural network methods
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Impact of climate and humans on the range dynamics of the woolly mammoth (Mammuthus primigenius) in Europe during MIS 2
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Gluten-Free Bread with Cricket Powder—Mechanical Properties and Molecular Water Dynamics in Dough and Ready Product
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Effect of the Relative Position of the Face Milling Tool towards the Workpiece on Machined Surface Roughness and Milling Dynamics
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Regional effects of amphetamine, cocaine, nomifensine and GBR 12909 on the dynamics of dopamine release and metabolism in the rat brain
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Interfaces with Structure Dynamics of the Workhorses from Cells Revealed through Cross-Linking Mass Spectrometry (CLMS)
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Mechanism of recognition of parallel G-quadruplexes by DEAH/RHAU helicase DHX36 explored by molecular dynamics simulations
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Independent dynamics of slow, intermediate, and fast intracranial EEG spectral activities during human memory formation
PublikacjaA wide spectrum of brain rhythms are engaged throughout the human cortex in cognitive functions. How the rhythms of various low and high frequencies are spatiotemporally coordinated across the human brain during memory processing is inconclusive. They can either be coordinated together across a wide range of the frequency spectrum or induced in specific bands. We used a large dataset of human intracranial electroencephalography...
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Molecular dynamics simulations of the affinity of chitin and chitosan for collagen: the effect of pH and the presence of sodium and calcium cations
PublikacjaChitosan and chitin are promising biopolymers used in many areas including biomedical applications, such as tissue engineering and viscosupplementation. Chitosan shares similar properties with hyaluronan, a natural component of synovial fluid, making it a good candidate for joint disease treatment. The structural and energetic consequences of intermolecular interactions are crucial for understanding the biolubrication phenomenon...
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Optimization of hydrodynamic vortex separator for removal of sand particles from storm water by computational fluid dynamics
PublikacjaStorm water treatment has been gradually acknowledged for the removal of pollutants from urban areas using the hydro cyclone separation technique. The separation efficiency of the hydrodynamic vortex separator (HDVS) is a complex phenomenon. With the aim enhance the separation potency of HDVS for storm runoff to get rid of sand particles, the HDVS with different structural configurations was studied by computational fluid dynamics....
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Catalytic Mechanism of Non-Target DNA Cleavage in CRISPR-Cas9 Revealed by Ab Initio Molecular Dynamics
PublikacjaCRISPR-Cas9 is a cutting-edge genome editing technology, which uses the endonuclease Cas9 to introduce mutations at desired sites of the genome. This revolutionary tool is promising to treat a myriad of human genetic diseases. Nevertheless, the molecular basis of DNA cleavage, which is a fundamental step for genome editing, has not been established. Here, quantum–classical molecular dynamics (MD) and free energy methods are used...
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Conformational studies of [Nphe5]SFTI-1 by means of 2D NMR spectroscopy in conjunction with molecular dynamics calculations
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Scale-consistent approach to the derivation of coarse-grained force fields for simulating structure, dynamics, and thermodynamics of biopolymers
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Molecular dynamics study of a gelsolin-derived peptide binding to a lipid bilayer containing phosphatidylinositol 4,5-bisphosphate
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Independent dynamics of slow, intermediate, and fast intracranial EEG spectral activities during human memory formation
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Structure determination of UL49.5 transmembrane protein from bovine herpesvirus 1 by NMR spectroscopy and molecular dynamics
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Multiple β-sheet molecular dynamics of amyloid formation from two ABl-SH3 domain peptides
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Spin probe dynamics in relation to free volume in crystalline organics from ESR and PALS: N-tridecane
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Conformation analysis and semiclassical dynamics study of charge exchange process induced by collision of C2+ ions with tetrahydrofuran
PublikacjaWe present the results of recent investigations of charge transfer processes in the collisions of C²⁺ ions with heterocyclic molecules of tetrahydrofuran.
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Trust Dynamics Analysis of CTR Scheme Subversion under Virtual Anonymity and Trust-Unaware Partner Selection
PublikacjaWe propose a framework to study Markovian trust value dynamics in a centralized Computational Trust and Reputation (CTR) scheme under trust-unaware partner selection using a mean-value approximation. Analytically founded answers are sought to questions like: Can dishonest agents subvert the CTR scheme (i.e., acquire higher trust values than honest agents)? Is indirect reciprocity incentivized? Is there a qualitative impact of a...
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Dynamics of changes in the concentration levels of organic pollutants in the proglacial waters of the Scott River (Spitsbergen, SW Svalbard)
PublikacjaThe study area covered the NW part of the Wedel Jarlsberg Land. The present study concerns participation of organic pollutants inflow from glacier and seaside plane of Calypsostranda to proglacial waters of the Scott River due to occurrence of precipitation. Concentration ranges for phenols and formaldehyde in water samples are respectively:
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Low-energy positron scattering from gas-phase tetrahydrofuran: A quantum treatment of the dynamics and a comparison with experiments
PublikacjaIn this paper we report new quantum calculations of the dynamics for low-energy positrons interacting with gaseous molecules of tetrahydrofuran. The new quantum scattering cross sections are differential and integral cross sections at collision energies between 1.0 and 25.0 eV and include a careful treatment of the additional effects on the scattering process brought about by the permanent dipole moment of the target molecule....
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Low-energy positron scattering from gas-phase pyrimidine: A quantum treatment of the dynamics and a comparison with experiments
PublikacjaWe are reporting detailed quantum scattering calculations that describe the diffusion of a beam of low-energy positrons interacting with the pyrimidine target as a gas-phase partner. The calculations have employed an essentially ab initio model for the short-range correlation interaction and for the electrostatic interaction of an impinging positron and the electron+nuclear structure of the target molecule at its equilibrium geometry.
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Computational fluid dynamics simulation of heat transfer from densely packed gold nanoparticles to isotropic media
PublikacjaThis work aims to determine and compare heat generation and propagation of densely packed gold nanoparticles (Au NPs) induced by a resonant laser beam (532 nm) according to the Mie theory. The heat flux propagation is transferred into the materials, which here are: silica glass; soda-lime-silica glass; borosilicate glass; polymethyl methacrylate (PMMA); polycarbonate (PC); and polydimetylosiloxane (PDMS). This analysis aims to...
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Chip suction system in circular sawing machine: empirical research and computational fluid dynamics numerical simulations
PublikacjaThe experimental analysis of the wood chip removing system during its redesigning in the existing sliding table circular saw and computational fluid dynamic (CFD) numerical simulations of the air flow process is presented in the paper. The attention was focused on the extraction hood and the bottom shelter of the actual existing system. The main aim was to perform experimental research on the pressure distribution inside the...
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Simulation of the number of storm overflows considering changes in precipitation dynamics and the urbanisation of the catchment area: a probabilistic approach
PublikacjaThis paper presents a probabilistic methodology that allows the study of the interactions between changes in rainfall dynamics and impervious areas in urban catchment on a long- and short-term basis. The proposed probabilistic model predict future storm overflows while taking into account the dynamics of changes in impervious areas and rainfall. In this model, a logistic regression method was used to simulate overflow resulting...
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Mechanism of recognition of parallel G-quadruplexes by DEAH/RHAU helicase DHX36 explored by molecular dynamics simulations
PublikacjaBecause of high stability and slow unfolding rates of G-quadruplexes (G4), cells have evolved specialized helicases that disrupt these non-canonical DNA and RNA structures in an ATP-dependent manner. One example is DHX36, a DEAH-box helicase, which participates in gene expression and replication by recognizing and unwinding parallel G4s. Here, we studied the molecular basis for the high affinity and specificity of DHX36 for parallel-type...
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Ammonium sorption from aqueous solutions by the natural zeolite Transcarpathian clinoptilolite studied under dynamics conditons
PublikacjaPrzeprowadzone badania z wykorzystaniem wodnych roztworów modelowych amoniaku mogą stanowić podstawę do następujących wniosków:- maksymalna pojemność sorpcyjna klinoptylolitu w stosunku do jonów NH4+ w warunkach dynamicznych jest zdecydowanie wyższa niż w warunkach statycznych,- proces usuwania jonów amonowych podlega intensyfikacji w przypadku zastosowania frakcji zeolitu o mniejszej średnicy ziaren,- istotną rolę w procesie sorpcji...
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The dataset of coupling coefficients for rotating receiver of multicoil dynamic wireless power transfer system
Dane BadawczeThe provided dataset is part of the simulation results shown in related journal paper "Optimal Rotating Receiver Angles Estimation for Multicoil Dynamic Wireless Power Transfer".
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Dynamic impedance spectra of programmable dynamically changing RC model based on digital potentiometers
Dane BadawczeThe dataset presents non-stationary impedance spectra of the RC model presented in the figure below. This model contains two digital potentiometers controlled digitally by the microcontroller. This solution allows to programmably control the value of the model impedance. Thanks to this, the model can be used as a test engine for evaluation of the dynamic...
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Developmental Dynamics (Formerly :American Journal of Anatomy 0002-9106)
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Dynamic electrochemical impedance spectroscopy of the adsorption and relaxation of polyaniline chains during potentiodynamic redox transformations
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Dynamic electrochemical impedance spectroscopy measurements of passive layer cracking under static tensile stresses
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Grid-Forming Operation of Energy-Router Based on Model Predictive Control with Improved Dynamic Performance
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BatchI: Batch effect Identification in high-throughput screening data using a dynamic programming algorithm
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Nonlinear dynamic analysis of the pure “buckling” mechanism during blow-out trauma of the human orbit
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Intensification of bacterial cellulose production process with sequential electromagnetic field exposure aided by dynamic modelling
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Selected Aspects of Testing the Positioning Accuracy of GNSS Receivers Used in Sports and Recreation by Dynamic Measurements
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Dynamic Study of Dual High-Power Impulse Magnetron Sputtering Discharge by Optical Emission Imaging
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Set membership estimation of parameters and variables in dynamic networks by recursive algorithms with moving measurment window
PublikacjaW artykule rozważana jest łączna estymacja przedziałowa zmiennych i parametrów w złożonej sieci dynamicznej w oparciu niepewne modele parametryczne i ograniczoną liczbę pomiarów. Opracowany został rekursywny algorytm estymacji z przesuwnym oknem pomiarowym, odpowiedni dla monitorowania sieci on-line. Okno pomiarowe pozwala na stabilizowanie klasycznego algorytmu rekurencyjnego estymacji i znacznie poprawienie obcisłości estymat....
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Steady-state characteristics and dynamic response of the PEM fuel cell to unit step change of load
PublikacjaPodano opis układu zasilania opartego na dwóch ogniwach paliwowych typu PEM o łącznej mocy 2.4 kW. Zaprezentowano wybrane charakterystyki statyczne i dynamiczne układu.
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Dynamic electrochemical impedance spectroscopy of the adsorption and relaxation of polianiline chains during potentiodynamic redox transformations
PublikacjaZaprezentowano nowe podejście do analizy widm impedancyjnych uzyskanych dla warstwy przewodzącej polianiliny (PAni). Właściwości powyższej warstwy są często modelowane przy użyciu elementu stałofazowego (CPE), który w sposób dokładniejszy odzwierciedla wyniki eksperymentalne niż klasyczny element pojemnościowy (kondensator). W pracy zaproponowano nowy elektryczny obwód zastępczy oparty na modelu adsorpcyjnym Frumkin-Melik-Gaikazyan,...
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EVALUATION OF THE NO2CONCENTRATION PREDICTION POSSIBILITYBASED ON STATIC AND DYNAMIC RESPONSES OF TGS SENSORSAT CHANGING HUMIDITY LEVELS
PublikacjaThe commercially available metal-oxide TGS sensors are widely used in many applications due to thefact that they are inexpensive and considered to be reliable. However, they are partially selective and theirresponses are influenced by various factors,e.g. temperature or humidity level. Therefore, it is importanttodesign a proper analysis system of the sensor responses. In this paper, the results of examinations of eightcommercial...
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Nonlinear dynamic analysis of the pure “buckling” mechanism during blow-out trauma of the human orbit
PublikacjaConsidering the interplay between orbital bones and intraorbital soft tissues, commonly accepted patterns of the blow-out type of trauma within the human orbit require more thorough investigation to assess the minimal health-threatening impact value. Two different three-dimensional finite element method (FEM) models of the human orbital region were developed to simulate the pure “buckling” mechanism of orbital wall fracture in...
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Methodology of determination of geotechnical parameters for non-cohesive soils based on dynamic and static penetration tests
PublikacjaPrzedstawiono zakres, metodykę i wyniki sondowań dynamicznych i statycznych podłoży niespoistych dla dwóch dużych obiektów hydrotechnicznych: terminalu przeładunku zboża w Porcie Północnym w Gdańsku i planowanego kanału żeglugowego przez Mierzeję Wiślaną. Na podstawie obu rodzajów sondowań określono parametry geotechniczne badanych gruntów, przeanalizowano je i porównano ze sobą.
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Prediction of the structures of proteins with the UNRES force field, including dynamic formation and breaking of disulfide bonds
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Spectroscopic, molecular docking and molecular dynamic simulation studies on the complexes of β-lactoglobulin, safranal and oleuropein
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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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How proteins bind to DNA: target discrimination and dynamic sequence search by the telomeric protein TRF1
PublikacjaTarget search as performed by DNA-binding proteins is a complex process, in which multiple factors contribute to both thermodynamic discrimination of the target sequence from overwhelmingly abundant off-target sites and kinetic acceleration of dynamic sequence interrogation. TRF1, the protein that binds to telomeric tandem repeats, faces an intriguing variant of the search problem where target sites are clustered within short fragments...