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Wyniki wyszukiwania dla: biomolecular interactions
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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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Hybrid design approach in education using a progressive rule-based digital design development. Sopot College experiences.
PublikacjaBudynek sam w sobie może być uznany za hybrydę inżynierii i Beaux-Arts. Obecnie istnieje wiele narzędzi, które mogą pomóc architektom w opracowaniu i optymalizowu ich innowacyjnych koncepcje. Artykuł opisuje projekt hybrydowego podejścia opartego na połączeniu tradycyjnej architekturze i Komputerowego projektowania na podstawie programu studiów w Sopocie College, Wydział Architektury. Artykuł bada dziedzinie współpracy i interakcji...
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Improving web user experience with caching user interface
PublikacjaIn human-computer interaction, response time is assumed generally not to exceed significantly 1-2 seconds. While the natural competition in the Internet public Web serving ensures adhering widely to such limits, some Web environments are less competitive and offer much worse user experience in terms of response time. This paper describes a solution to significantly improve user experience in terms of response time with only modification...
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ANALYSIS OF THE PUNCHING FAILURE MECHANISM IN WORKING PLATFORMS
PublikacjaPaper presents an analysis of the shear failure mechanism which occurs from the punching of a working platform layer in relation to its thickness, grain size arrangement and mechanical properties, taking into consideration the interaction with soft subgrade. The study is based on the observations of performance of natural scale structures (Streefkerk) and the results of model investigations numerically represented with the use...
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Retrieval with Semantic Sieve
PublikacjaThe article presents an algorithm we called Semantic Sieve applied for refining search results in text documents repository. The algorithm calculates socalled conceptual directions that enables interaction with the user and allows to narrow the set of results to the most relevant ones. We present the system where the algorithm has been implemented. The system also offers in the presentation layer clustering of the results into...
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Using Physiological Signals for Emotion Recognition
PublikacjaRecognizing user’s emotions is the promising area of research in a field of human-computer interaction. It is possible to recognize emotions using facial expression, audio signals, body poses, gestures etc. but physiological signals are very useful in this field because they are spontaneous and not controllable. In this paper a problem of using physiological signals for emotion recognition is presented. The kinds of physiological...
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Face detection algorithms evaluation for the bank client verification
PublikacjaResults of investigation of face detection algorithms in the video sequences are presented in the paper. The recordings were made with a miniature industrial USB camera in real conditions met in three bank operating rooms. The aim of the experiments was to check the practical usability of the face detection method in the biometric bank client verification system. The main assumption was to provide as much as possible user interaction...
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Software for calculation of noise maps implemented on the supercomputer
PublikacjaThis paper presents investigation results relevant to the implementation of the algorithms for the calculation of noise maps. The aim of the implementation of the algorithms on the computer cluster is explained. Selected implementation details of the software called the noise propagation model are described. The interaction of the software with the data acquisition system is presented. Noise maps obtained by exploitation of the...
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Multiple jets impingement – numerical analysis by the ζ-f and hybrid VLES turbulence models
PublikacjaPresented paper summarizes the Authors findings referring to the numerical analyses of the jet impinging phenomena in the case of complex jets configurations in various applications e.g. in the heat exchangers. Multiple jets interference resulting in the cross-flow and the surface curvature are the factors which impose the need of advanced turbulence models utilization. The outcome of the research based on the ζ-f turbulence model...
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Modal analysis of a fish-belly flap type of steel water gate
PublikacjaABSTRACT: The results of a modal analysis of the fish-belly flap type of steel water gate are presented in the paper. The analysis was conducted for a detailed numerical model of the structure using four-node quadrilateral shell elements. The study was focused on the examination of the influence of positioning of the flap gate and hydrostatic pressure of water on the eigenvalues and eigenmodes of the structure. The results of the study...
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Influence of sensor design and optical properties of tissue on the photoplethysmographic signal
PublikacjaPhotopletysmography and an associated technique called pulse oximetry are still explored due to the expectations that they give a lot of information about the state of the patient and, also, due to the fact that they are non invasive. Knowledge about the impact of various parameters on the measured signal leads to a faster and a more reliable way of analyzing measurement results and finding the dependencies between the involved...
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Compressible gas density measurement by means of Fourier analysis of interferograms
PublikacjaThis paper describes a method for nonintrusive compressible gas density measurement by means of automated analysis of interferograms using FFT (Fast Fourier Transform), and its implementation using DFT (Discrete Fourier Transform), that does make this measurement technique a fairly valuable and accessible experimental method. The presented approach makes it possible to use the finite fringe setting of the interferometer, thus reducing...
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Credit default swaps and banks
PublikacjaThis chapter aims to explore the evolving role of credit default swaps (CDS) in managing and transferring default risk from the perspective of banks from a holistic perspective. This chapter examines credit default swaps (CDSs) as derivative financial instruments that transfer credit risk on debt securities. While CDSs offer benefits such as risk management and risk trading, they also introduce potential systemic risks, as evidenced...
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Kagome Lattice Promotes Chiral Spin Fluctuations
PublikacjaDynamical spin fluctuations in magnets can be endowed with a slight bent toward left- or right-handed chirality by Dzyaloshinskii-Moriya interactions. However, little is known about the crucial role of lattice geometry on these chiral spin fluctuations and on fluctuation-related transport anomalies driven by the quantum-mechanical (Berry) phase of conduction electrons. Via thermoelectric Nernst effect and electric Hall effect experiments,...
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Efficient three-dimensional fluorescence measurements for characterization of binding properties in some plants
PublikacjaThe main aim of this research was to characterize some plants and to determine their similarities and differences, using spectroscopic methods. The interactions of soluble polyphenols of different plants with human serum albumin (HSA) were investigated by 3D-fluorescence. The obtained fluorescence results allow to classify the investigated plants according to their binding properties. The HSA-binding capacities of these plants...
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Ion recognition properties of new pyridine-2,6-dicarboxamide bearing propeller-like pendant residues: multi-spectroscopic approach
PublikacjaThe synthesis and ion binding properties of new amide derived from propeller-like tris(2-pyridyl)amine and 2,6-pyridinedicarboxylic acid chloride were described. Amide binds divalent metal cations: copper(II), nickel(II), zinc(II), and lead(II) in acetonitrile. In acetonitrile:water mixture (9:1 v/v) amide interacts only with copper(II) and nickel(II) cations forming complexes of 1:1 stoichiometry. It was found that the introduction...
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New potent STS inhibitors based on fluorinated 4-(1-phenyl-1H-[1,2,3]triazol-4-yl)-phenyl sulfamates
PublikacjaA series of fluorinated analogs based on the frameworks of 4-(1- phenyl-1H-[1,2,3]triazol-4-yl)-phenyl sulfamates have been synthesized as steroid sulfatase (STS) inhibitors. The design of chemical structures of new potential STS inhibitors was supported by molecular docking techniques to identify potential interactions between inhibitors and amino acid residues located in the STS active site. The STS inhibitory potency was evaluated...
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Laser Welding of UNS S33207 Hyper-Duplex Stainless Steel to 6061 Aluminum Alloy Using High Entropy Alloy as a Filler Material
PublikacjaThe high entropy alloy (HEA) filler used during the fabrication method determines the reliability of HEAs for steel-aluminum dissimilar alloy configuration. HEAs have a direct impact on the formation of intermetallic compounds (IMC) formed by the interaction of iron (Fe) and aluminum (Al), and influence the size of the joint’s interaction zone. A novel welding process for Fe-Al alloy joints was developed to prevent the development...
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Cu( II ) ions removal from wastewater using starch nanoparticles ( SNPs ): An Eco‐sustainable approach
PublikacjaThe complex structured starch particles were reduced to the nanoscale size range through hydrolysis utilizing low concentration acid assisted with ultrasound irradiation. The synthesized starch nanoparticles (SNPs) were characterized by TEM, FTIR, and XRD techniques. The synthesized SNPs possessed surface activated entities, as many cationic functional groups were confirmed through the FTIR spectrum. Also, these SNPs were effectively...
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Surface diffusion and cluster formation of gold on the silicon (111)
PublikacjaPurpose: Investigation of the gold atoms behaviour on the surface of silicon by molecular dynamics simulation method. The studies were performed for the case of one, two and four atoms, as well as incomplete and complete filling of gold atoms on the silicon surface. Design/methodology/approach: Investigations were performed by the method of molecular dynamics simulation using the Large-scale Atomic/Molecular Massively Parallel...
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Tacit knowledge acquisition & sharing, and its influence on innovations: A Polish/US cross-country study
PublikacjaThis study measures the relationship between tacit knowledge sharing and innovation in the Polish (n=350) and US (n=379) IT industries. Conceptually, the study identifies the potential sources of tacit knowledge development by individuals. That is, the study examines how “learning by doing” and “learning by interaction” lead to a willingness to share knowledge and, as a consequence, to support process and product/service innovation....
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Synthesis, structure, DNA binding and anticancer activity of mixed ligand ruthenium(II) complex
PublikacjaIn order to obtain a potential chemotherapeutic which is not affected on the normal BALB/3T3 cell line, a new arene ruthenium(II) complex {[RuCl(L1)(η6-p-cymene)]PF6}2 · H2O has been synthesized by a direct reaction of precursor, [{(η6-p-cymene)Ru(μ-Cl)}2Cl2], with N,N-chelating ligand (L1 - 2,2′-bis(4,5-dimethylimidazole). The compound has been fully characterized by elemental analysis, X-ray diffraction, IR, UV–Vis and 1H, 13C...
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Analiza czynników wpływających na prędkość pojazdów transportu zbiorowego na przykładzie Gdańska
PublikacjaW referacie przedstawiono istotę problemu szacowania prędkości pojazdów transportu zbiorowego w szczególności w zakresie modelowania ruchu. Przedstawiono i omówiono wyniki przeprowadzonych w maju ubiegłego roku pomiarów czasu przejazdu pojazdów transportu zbiorowego na obszarze Gdańska w ramach budowy systemu sterowania ruchem TRISTAR. Otrzymane wyniki zestawiono w celu zaprezentowania statystyki oraz zidentyfikowania czynników...
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Numerical estimation of the pile toe and shaft unit resistances during the installation process in sands
PublikacjaNumerical simulations of a pile jacking were carried out. A Coupled Eulerian–Lagrangian (CEL) formulation was used to treat with large deformation problems. An Abaqus, a commercial Finite Element Method software suit, was used as a computing environment. The Mohr–Coulomb constitutive model was applied and the Coulomb model of friction was used to describe pile-soil interaction. Calculations were made for three different pile diameters....
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Dynamics of quantum entanglement
PublikacjaA model of discrete dynamics of entanglement of a bipartite quantum state is considered. It involves a global unitary dynamics of the system and periodic actions of local bistochastic or decaying channel. For initially pure states the decay of entanglement is accompanied by an increase of von Neumann entropy of the system. We observe and discuss revivals of entanglement due to unitary interaction of subsystems. For some mixed states...
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EXPERIMENTAL AND NUMERICAL STUDY ON COLLISIONS BETWEEN STEEL STRUCTURES UNDER EARTHQUAKE EXCITATION
PublikacjaIn the time of high urbanization, the need to build closely-spaced structures forces the designers to take into account earthquake-induced collisions between adjacent buildings and their effects on the response of structures. Past and recent investigations confirmed that interactions between adjacent buildings during earthquakes may cause serious damages to the structural elements and may even lead to total collapse of the structure....
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Application of spectroscopy to the measurement of blood parameters
PublikacjaSpectroscopy is the study of formation and interpretation of the spectra arising from the interactions of all types of radiation on matter, understood as a collection of atoms and molecules. This is a very important department of optics which gives us many opportunities to measure various parameters such as material blood parameters. Among the diseases that are associated significantly with changes in rheological properties of...
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Nonlinear fuzzy control of the dissolved oxygen in activated sludge processes
PublikacjaWastewater treatment plant is generally a complex, multivariable, time varying and nonlinear large scale industrial system. Moreover, interactions between the components are very strong. The dissolved oxygen tracking problem is one of the most complex and fundamental issues of biological processes. Air for the aerated tanks is supplied by aeration system (blowers, pipes, diffusers). It is a complex dynamic system. The new control...
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The hydration of the protein stabilizing agents: trimethylamine-N-oxide, glycine and its N-methylderivatives - the volumetric and compressibility studies
PublikacjaThe densities at T = (288.15, 293.15, 298.15, 303.15, and 308.15) K and sound velocities at T = 298.15 K have been measured for aqueous solutions of trimethylamine-N-oxide, glycine, N-methylglycine (sarcosine), N,N-dimethylglycine, N,N,N-trimethylglycine (betaine). From these data the apparent molar volumes, VΦ, the apparent molar isentropic compressions, KS,Φ, and the solvation numbers of solutes have been determined. The concentration...
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Chapter 2: Modelling and analysis of rotor with magnetic bearing system
PublikacjaThe paper is concerned with rotor magnetic bearing system modelling. Such system is a relatively complex electromechanical system and can be considered as typical mechatronic one. The port-based modelling of physical systems has been used to obtain discrete-continuous model of considered system. Proposed approach enables to obtain reduced low-order lumped parameter representation of the system including gyroscopic interactions....
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Amyloid fibril formation in the presence of water structure-affecting solutes
PublikacjaThe impact of the differently hydrated non-electrolytes (protein structure destabilizers) on the fibrillation of hen egg white lysozyme (HEWL) was investigated. Two isomeric urea derivatives i.e. butylurea (BU) and N,N,N′,N′-tetramethylurea (TMU) were chosen as a tested compounds. The obtained results show that butylurea exerts greater impact on HEWL and its fibrillation than tetramethylurea. Both substances decrease the time of...
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Haemocompatibility of Modified Nanodiamonds
PublikacjaThis study reports the interactions of modified nanodiamond particles in vitro with human blood. Modifications performed on the nanodiamond particles include oxygenation with a chemical method and hydrogenation upon chemical vapor deposition (CVD) plasma treatment. Such nanodiamonds were later incubated in whole human blood for different time intervals, ranging from 5 min to 5 h. The morphology of red blood cells was assessed along...
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Dynamic Analysis of the Turnout Diverging Track for HSR with Variable Curvature Sections
PublikacjaThe paper presents an analytical method of identifying the curvature of the turnout diverging track consisting of sections of varying curvature. Both linear and nonlinear (polynomial) curvatures of the turnout diverging track are identified and evaluated in the paper. The presented method is a universal one, it enables to assume curvature values at the beginning and end point of the geometrical layout of the turnout. The results...
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Measuring the density of DNA films using ultraviolet-visible interferometry
PublikacjaIn order to determine a proper value for the density of dry DNA films we have used a method based upon the measurement of interference effects in transmission spectra of thin DNA layers. Our results show that the methodology is effective and the density of DNA in this state, 1.407 g/cm3, is much lower than the commonly used 1.7 g/cm3. Obtaining accurate values for the DNA film density will allow the optical constants for DNA to...
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Playing the Sprint Retrospective: A Replication Study
PublikacjaThe Sprint Retrospective is a vehicle for continuous process improvement. Even though it is a well established agile practice, running effective retrospective meetings is challenging. There have been a lot of identified problems that commonly occur during these meetings. To address them, Przybyłek & Kotecka [20] successfully revitalized retrospective meetings by adopting collaborative games, which represent a powerful tool in improving...
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Rotation Triggers Nucleotide-Independent Conformational Transition of the Empty β Subunit of F1-ATPase
PublikacjaF1-ATPase (F1) is the catalytic portion of ATP synthase, a rotary motor protein that couples proton gradients to ATP synthesis. Driven by a proton flux, the F1 asymmetric γ subunit undergoes a stepwise rotation inside the α3β3 headpiece and causes the β subunits’ binding sites to cycle between states of different affinity for nucleotides. These concerted transitions drive the synthesis of ATP from ADP and phosphate. Here, we study...
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Influence of separation gap on the structural response of colliding structures under earthquake excitation
PublikacjaThe high level of urbanization in the XXIst century forces the designers to design closely-separated structures and to take into account many factors influencing their response during seismic excitation, which are the most unpredictable loads which can affect civil engineering structures. Interactions between insufficiently adjacent buildings, known as the earthquake-induced structural pounding, may cause serious damage to the structures,...
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Pregnane X receptor dependent up-regulation of CYP2C9 and CYP3A4 in tumor cells by antitumor acridine agents, C-1748 and C-1305, selectively diminished under hypoxia
PublikacjaInduction of proteins involved in drug metabolism and in drug delivery has a significant impact on drug-drug interactions and on the final therapeutic effects. Two antitumor acridine derivatives selected for present studies, C-1748 (9-(2’-hydroxyethylamino)-4-methyl-1-nitroacridine) and C-1305 (5-dimethylaminopropylamino-8-hydroxy-triazoloacridinone), expressed high and low susceptibility to metabolic transformations with liver...
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Inwestycja w wino – ocena sommelierów, rocznik i liczba punktów dystrybucji a wycena
PublikacjaW opracowaniu wyznaczono za pomocą współczynników korelacji liniowej Pearsona siłę i kierunek oddziaływania pomiędzy: ceną wina a rocznikiem, ceną wina a oceną sommelierów oraz ceną wina a liczbą punktów dystrybucji. Analizie poddano 8 szczepów winnych z rejonu Bordeaux. Najsilniejszy związek odnotowano pomiędzy ceną wina a rocznikiem trunku. W artykule obliczono także wybrane statystyki opisowe dla ceny wina, oceny przyznawanej...
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Modelowanie dynamiki odbieraka prądu pojazdu kolejowego do celów diagnostycznych
PublikacjaNiewłaściwa współpraca odbieraka prądu i sieci trakcyjnej, w trudnych warunkach lokalnych, może prowadzić do uszkodzenia sieci trakcyjnej i pantografu. W ramach rozwoju metod monitoringu i diagnostyki dla tych podsystemów, tworzone są nowe i dokładniejsze narzędzia symulacyjne, których zakres obejmuje modelowanie zarówno napowietrznej sieci trakcyjnej i pantografu, a także ich dynamicznego oddziaływania. Głównym celem jest dokładniejsza...
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Synthetic, Structural, and Spectroscopic Characterization of a Novel Family of High-Spin Iron(II) [(β-Diketiminate)(phosphanylphosphido)] Complexes
PublikacjaThis work describes a series of iron(II) phosphanylphosphido complexes. These compounds were obtained by reacting lithiated diphosphanes R2PP(SiMe3)Li (R = t-Bu, i-Pr) with an iron(II) β-diketiminate complex, [LFe(μ2-Cl)2Li(DME)2] (1), where DME = 1,2-dimethoxyethane and L = Dippnacnac (β-diketiminate). While the reaction of 1 with t-Bu2PP(SiMe3)Li yields [LFe(η1-Me3SiPPt- Bu2)] (2), that of 1 with equimolar amounts of i-Pr2PP(SiMe3)Li,...
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Low-energy positron scattering from gas-phase uracil
PublikacjaQuantum scattering calculations are presented for the interaction of low energy positrons with the uracil molecule, an important component of biological systems. The rotational elastic and inelastic cross sections and vibrational inelastic cross sections are reported and compared with existing experiments, indicating a general trend of the cross sections different from the experimental findings and in line with what should be expected...
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Methods of Tire Rolling Resistance Measurements
PublikacjaTire rolling resistance is one of the factors related to tire/road interaction that has important influence on road vehicles performance. Raising fuel price and increased concern related to the environmental changes result in growing interest in reduction of tire rolling resistance that influences fuel consumption, especially in free-flowing highway traffic with moderate speeds. There are several methods of tire rolling resistance measurements....
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HCI and the economics of user experience
PublikacjaRodział przezentuje możliwości rozwinięcia zakresu tradycyjnych badań HCI (Human-Computer Interaction) o zagadnienia ekonomiczne, związane z jakością usług on-line, postrzeganą przez użytkownika/klienta. Praca zawiera modele jakości usług on-line oparte na elementach marketingu relacji i na wykorzystaniu ekonomicznych determinant zachowań konsumenckich w usługach on-line. Rozdział prezentuje modele projektowania i rozwoju przykładowych...
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Evaluation of Face Detection Algorithms for the Bank Client Identity Verification
PublikacjaResults of investigation of face detection algorithms efficiency in the banking client visual verification system are presented. The video recordings were made in real conditions met in three bank operating outlets employing a miniature industrial USB camera. The aim of the experiments was to check the practical usability of the face detection method in the biometric bank client verification system. The main assumption was to provide...
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Antioxidant properties of ferrous flavanol mixtures
PublikacjaInteraction of metal, especially iron ions with flavanols is considered as an important feature of these compounds and is believed to contribute to their both antioxidant and prooxidant properties. The aim of this study was to examine how Fe2+ binding to form a 4:1 (flavanol:Fe2+) mixtures affects the antioxidant properties of flavanols. ABTS∗ scavenging, protection against fluorescence bleaching induced by AAPH and hypochlorite,...
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Open-Phase Fault Detection Method for Sensorless Five-Phase Induction Motor Drives with an Inverter Output Filter
PublikacjaThe paper presents the sensorless five-phase induction motor drive implementation with an inverter output filter with third harmonic injection. For the sensorless operation, the required observers are presented for the first and third harmonics with consideration of the inverter output filter. Moreover, the interaction of the observers and the control system is capable to handle a deactivation of one or two phases, which improves...
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Buckling analysis of a non-concentric double-walled carbon nanotube
PublikacjaOn the basis of a theoretical study, this research incorporates an eccentricity into a system of compressed double-walled carbon nanotubes (DWCNTs). In order to formulate the stability equations, a kinematic displacement with reference to the classical beam hypothesis is utilized. Furthermore, the influence of nanoscale size is taken into account with regard to the nonlocal approach of strain gradient and the van der Waals interaction...
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Potential changes in an electric field and electrolytic corrosion.
PublikacjaSources have been described of corrosively hazardous electric fields and methods of determination of the corrosion hazard to metal structures caused by electrolytic corrosion. Results of potential and impedance investigations in the field of stray currents flowing out of a tram traction and in the presence of a defined electric field of low frequency have been presented. Uncertainties have been indicated relating to the generally...
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Apparent Molar Volumes and Expansivities of Ionic Liquids Based on N-Alkyl-N-methylmorpholinium Cations in Acetonitrile
PublikacjaDensities of some acetonitrile solutions of ionic liquids based on N-alkyl-N-methyl-morpholinium cations, N-ethyl-N-methylmorpholinium bis(trifluoromethanesulfonyl)imide, N-butyl-N-methylmorpholinium bis(trifluoromethanesulfonyl)imide, N-methyl-N-octylmorpholinium bis(trifluoromethanesulfonyl)imide and N-decyl-N-methylmorpholinium bis(trifluoromethanesulfonyl)imide were measured at T = (298.15− 318.15) K and at atmospheric pressure....