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Search results for: CHAOTIC DYNAMICS
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Mechanism of recognition of parallel G-quadruplexes by DEAH/RHAU helicase DHX36 explored by molecular dynamics simulations
PublicationBecause 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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Trust Dynamics Analysis of CTR Scheme Subversion under Virtual Anonymity and Trust-Unaware Partner Selection
PublicationWe 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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Conformation analysis and semiclassical dynamics study of charge exchange process induced by collision of C2+ ions with tetrahydrofuran
PublicationWe 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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Depression and neuroticism in patients with chronic hepatitis C: Correlation with peripheral blood mononuclear cells activation
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High-frequency changes in single-trial visual evoked potentials for unattended stimuli in chronic schizophrenia
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Negative Correlation between Fasting Plasma Insulin and Ambulatory Blood Pressure in Patients on Chronic Hemodialysis
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Is there any association between HCV multiplication and iron induced liver injury in chronic hepatitis C?
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Host genetic background affects the course of infection and treatment response in patients with chronic hepatitis B
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Effects of chronic neuroleptic treatment on dopamine release: Insights from studies using 3-methoxytyramine
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Awareness of patients suffering from selected chronic diseases of the importance of physical activity in treating their disorders
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Chronic Exposure to Fluoride Affects GSH Level and NOX4 Expression in Rat Model of This Element of Neurotoxicity
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Nasal endoscopy: an adjunct to patient selection for preoperative low-dose CT examination in chronic rhinosinusitis
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Carotid Artery Stenting and Blood–Brain Barrier Permeability in Subjects with Chronic Carotid Artery Stenosis
PublicationFailure of the blood-brain barrier (BBB) is a critical event in the development and progression of diseases such as acute ischemic stroke, chronic ischemia or small vessels disease that affect the central nervous system. It is not known whether BBB breakdown in subjects with chronic carotid artery stenosis can be restrained with postoperative recovery of cerebral perfusion. The aim of the study was to assess the short-term effect...
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Optical activity of benzophenone and thiobenzophenone generated by spontaneous crystallization and inclusion complexation with cholic acid.
PublicationOtrzymano związki inkluzyjne benzofenonu i jego tioanalogu z kwasem cholowym. W zależności od stosowanej metody syntezy kompleksów inkluzyjnych benzofenonu powstawały one w dwóch różnych postaciach polimorficznych. Jedna z nich wykazuje istnienie cząsteczek gościa w czterech konformacjach, przy czym dominuje konformer o helikalności M. Struktura krystalograficzna kompleksu tiobenzofenonu z kwasem cholowym ujawniła obecność tylko...
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LF NMR spectroscopy analysis of water dynamics and texture of Gluten-Free bread with cricket powder during storage
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Investigating the Ischaemic Phase of Skin NADH Fluorescence Dynamics in Recently Diagnosed Primary Hypertension: A Time Series Analysis
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Application of Multiplexed Replica Exchange Molecular Dynamics to the UNRES Force Field: Tests with α and α+β Proteins
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Self-assembly and interactions of short antimicrobial cationic lipopeptides with membrane lipids: ITC, FTIR and molecular dynamics studies
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Expansion and population dynamics of a non-native invasive species: the 40-year history of American mink colonisation of Poland
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A systematic approach to understand hydrogeochemical dynamics in large river systems: Development and application to the River Ganges (Ganga) in India
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Dynamics of cutting power during sawing with circular saw blades as an effect of wood properties changes in the cross section
PublicationIn the paper the effect of the method calculation upon the cutting power is presented. In computations were used models in which fracture toughness was incorporated. The comparison concerned models as follows: FM-CM – classic model in which the sum of all uncut chip thicknesses of the simultaneously teeth engaged represented the mean uncut chip thickness, FM-FDM – full dynamical model in which besides variable uncut chip thickness...
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Diagnostics of UV Nanosecond Laser Generated Plasma Plume Dynamics in Ambient Air Using Time-Resolved Imaging
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Long range molecular dynamics study of regulation of eukaryotic glucosamine-6-phosphate synthase activity by UDP-GlcNAc
PublicationGlucosamine-6-phosphate (GlcN-6-P) synthase catalyses the first and practically irreversible step in hexosamine metabolism. The final product of this pathway, uridine 5' diphospho N-acetyl-D-glucosamine (UDPGlcNAc), is an essential substrate for assembly of bacterialand fungal cell walls. Moreover, the enzyme is involved in phenomenon of hexosamine induced insulin resistance in type II diabetes, which makes it a potential target...
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On the Possibility of the Amphotericin B-Sterol Complex Formation in Cholesterol- and Ergosterol-Containing Lipid Bilayers: A Molecular Dynamics Study
PublicationAmphotericin B (AmB) is a well-known membrane-active antibiotic that has been used to treat systemicfungal infections for more than 45 years. Therapeutic application of AmB is based on the fact that it is moreactive against ergosterol-containing membranes of fungal cells than against mammalian membranes withcholesterol. In this paper, we examine the hypothesis according to which the selectivity of the AmB's membraneaction originates...
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MM/PBSA analysis of molecular dynamics simulations of bovine beta-lactoglobulin: free energy gradients in conformational transitions?
PublicationPraca dotyczy pH zależnych zmian konformacyjnych EF pętli beta-laktoglobuliny. Zmiany te są śledzone za pomocą metod obliczeniowych chemii (dynamika molekularna oraz metody MM/PBSA).
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Independent dynamics of low, intermediate, and high frequency spectral intracranial EEG activities during human memory formation
PublicationA wide spectrum of brain rhythms are engaged throughout the human cortex in cognitive functions. How the rhythms of various frequency ranges are coordinated across the space of the human cortex and time of memory processing is inconclusive. They can either be coordinated together across the frequency spectrum at the same cortical site and time or induced independently in particular bands. We used a large dataset of human intracranial...
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Effect of the Catalytic Center on the Electron Transfer Dynamics in Hydrogen-Evolving Ruthenium-Based Photocatalysts Investigated by Theoretical Calculations
PublicationThe light-induced relaxation pathways in the molecular photocatalyst [(tbbpy)2Ru(tpphz)PtCl2]2+ are investigated with time-dependent density functional theory calculations together with the Marcus theory of electron transfer (ET). The calculations show that metal (Ru) to ligand (tpphz) charge transfer (MLCT) triplet states are populated following an excitation in the longer wavelength range of the absorption spectrum, but that an...
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Dipole-driven dynamics for near-threshold electron/positron interactions with pyrimidinic DNA bases: a path to compound formations
PublicationCalculations are reported for electron and positron scattering from isolated cytosine and thymine, where the two pyrimidinic single-ring DNA bases, in the gas-phase at energies near the elastic threshold, they reveal the special features of the dipole-driven scattering states. All molecules examined exhibit, in fact, supercritical (>1.67 D) permanent dipoles which can therefore also support, below threshold, excited bound compound...
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Performance of extended Lagrangian schemes for molecular dynamics simulations with classical polarizable force fields and density functional theory
PublicationIterative energy minimization with the aim of achieving self-consistency is a common feature of Born-Oppenheimer molecular dynamics (BOMD) and classical molecular dynamics with polarizable force fields. In the former, the electronic degrees of freedom are optimized, while the latter often involves an iterative determination of induced point dipoles. The computational effort of the self-consistency procedure can be reduced by re-using...
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High frequency dynamics of an isotropic Timoshenko periodic beam by the use of the Time-domain Spectral Finite Element Method
PublicationIn this work results of numerical simulations and experimental measurements related to the high frequency dynamics of an aluminium Timoshenko periodic beam are presented. It was assumed by the authors that the source of beam structural periodicity comes from periodical alterations to its geometry due to the presence of appropriately arranged drill-holes. As a consequence of these alterations dynamic characteristics of the beam...
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Comparative molecular dynamics study of dimeric and monomeric forms of HIV-1 protease in ligand bound and unbound state
PublicationHuman immunodeficiency virus type 1 protease (HIV-1 PR) is a viral-encoded enzyme that forms a homodimer. HIV-1 PR is essential for replication and assembly of the virus and inactivation of HIV-1 PR enzyme causes production of immature, noninfectious viral particles and thus HIV-1 PR is an attractive target in anti-AIDS drug design. In our current work, we performed molecular dynamics (MD) calculations (500 ns) for two different...
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Fatigue resistance investigation of the mb46 plain bearings under conditions of dynamic loadings
PublicationOdporność materiału łożyskowego MB46 na pęknięcia zmęczeniowe badano na stanowisku SMOK, w którym generowane jest zmienne jednokierunkowe obciążenie badanego łożyska. Materiał łożyskowy MB46 składa sie z warstwy brązu CuPb22Sn 3 spiekanego na taśmie stalowej, stanowiącej podłoże. Na warstwę brązu nałożona jest galwanicznie cienka warstwa stopu SnCu6 stanowiąca powłokę. Każde z badanych łożysk poddawane było 20-godzinnemu testowi...
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Time Domain Modeling of Propeller Forces due to Ventilation in Static and Dynamic Conditions
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Image Quality Assessment Tool for Conventional and Dynamic Magnetic Resonance Imaging Acquisitions
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Web-based GIS technologies dedicated for presenting semi-dynamic geospatial data
PublicationSieciowe technologie prezentacji danych przestrzennych przeżywają aktualnie rozkwit spowodowany między innymi spadającymi cenami sprzętu komputerowego. Wynikający z tego wzrost wydajności domowych i biurowych stacji roboczych pozwala na praktyczne zastosowanie czasochłonnych algorytmów wizualizacji i przetwarzania skomplikowanych danych rastrowych i wektorowych. Niniejszy artykuł omawia wybrane technologie sieciowej prezentacji...
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Modified nanodiamond particle size studies by means of dynamic light scattering technique
PublicationThe Methods Utilizing the Phenomena of Light Scattering to Measure Particle Size distribution in different solvent, such as deionise water and alcohol and also to study the various structural formation when nanodiamond solution is placed on silicon surface. The purpose of this research project is divided into two parts to configure the measurement units for examining modified nanodiamond particles, examination...
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Modified nanodiamond particle size studies by means of dynamic light scattering technique
PublicationThe Methods Utilizing the Phenomena of Light Scattering to Measure Particle Size distribution in different solvent, such as deionise water and alcohol and also to study the various structural formation when nanodiamond solution is placed on silicon surface. The purpose of this research project is divided into two parts to configure the measurement units for examining modified nanodiamond particles, examination...
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Static and dynamic superheated water extraction of essential oil components fromThymus vulgarisL.
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The method of improving the dynamic range of jitter analyzers in optical-fiber transmission systems
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Early stage of critical clusters growth in phenomenological and Molecular Dynamic simulation models
PublicationW artykule opisano wzrost klastrów krytycznych w ramach klasycznego podejścia fenomenologicznego oraz dynamiczno-molekularnego (MD). Została wyprowadzona nowa formuła opisujaca liczbę klastrów krytycznych. Sformułowano równania opisujace wczesne etapy wzrostu kropli o rozmiarach krytycznych. Opisano wyniki symulacji dynamiczno-molekularnych powstawania klastrów w jednorodnej parze przesyconej oraz podano czasowe zmiany rozkładu...
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Analysis od dynamic loads on lightweight footbridge caused by lorry passing underneath
PublicationW artykule przedstawiono analizę drgań lekkiej kładki dla pieszych wywołanych przejazdem ciężarówki z dużą prędkością pod spodem konstrukcji.
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Quantitative active dynamic thermal ir-imaging and thermal tomography in medical diagnostics
PublicationPraca dotyczy nowych technik obrazowania w diagnostyce medycznej, wykorzystując przetwarzanie obrazów termicznych rejestrowanych w podczerwieni. Opisano właściwości termiczne tkanek biologicznych, omówiono medele termiczne i zdefiniowano zastępcze parametry syntetyczne, metody pomiarów i stosowane urządzenia. Omówiono procedury akwizycji danych i ich przetwarzania. Wprowadzono pojęcie tomografii termicznej. Opisano przeprowadzone...
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Precision surface characterization for finish cylindrical milling with dynamic tool displacements model
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Improved estimation of dynamic modulus for hot mix asphalt using deep learning
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Dynamic Analysis of an Enhanced Multi-Frequency Inertial Exciter for Industrial Vibrating Machines
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From the Dynamic Lattice Liquid Algorithm to the Dedicated Parallel Computer – mDLL Machine
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Quantitative Active Dynamic Thermal IR-Imaging and Thermal Tomography in Medical Diagnostic
PublicationPrinciples of Active dynamic thermal (ADT) IR-imaging and Thermal Tomography are described in details. Basic medical applications of this new modality are also discussed.
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Investigation of buckling resistance of columns using non-linear static and dynamic analysis
PublicationThe aim of this paper is to investigate the stability process in an axially compressed column using a static and dynamic finite element analysis by taking both the geometric and material non-linearity into account. The perfect column and column with geometric imperfections were analysed. The linear buckling analyses were used to obtain the lowest buckling load and shapes of buckled forms that were taken into account as initial...
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Oil removal from polluted soil by washing with surfactants solutions in dynamic conditions
PublicationFor washing of the oil from polluted soil surfactants solutions were applied. In a research a nonionic synthetic surfactant - polyoxyethylene ether of synthetic fatty alcohol (Rokanol NL6), rhamnolipid biosurfactant JBR 425 (Jeneil Biosurfactant Co. LLC) and their mixtures were used. Results of oil removal from peat soil and sand with mixtures of surfactants solutions at concentration 0,5 g/dm...
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Experimental determination of dynamic properties of cylindrical steel tank model filled with liquid
PublicationIn technical branches, such as chemical or petroleum industries, cylindrical steel tanks are essential structures used for storage of liquid products. Any failure might have disastrous consequences, therefore their safety and reliability is essential. The aim of the present paper is to show the results of the experimental study which has been conducted on a scaled model of a real tank used in Poland. The investigation was carried...