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Wyniki wyszukiwania dla: LOCALIZED WANNIER FUNCTIONS
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Exploring the cocrystallization potential of urea and benzamide
PublikacjaThe cocrystallization landscape of benzamide and urea interacting with aliphatic and aromatic carboxylic acids was studied both experimentally and theoretically. Ten new cocrystals of benzamide were synthesized using an oriented samples approach via a fast dropped evaporation technique. Information about types of known bi-component cocrystals augmented with knowledge of simple binary eutectic mixtures was used for the analysis...
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Conserved motifs of MutL proteins
PublikacjatThe MutL protein is best known for its function in DNA mismatch repair (MMR). However, there isevidence to suggest that MutL is not only the linker connecting the functions of MutS and MutH in MMR,but that it also participates in other repair systems, such as Very Short Patch (VSP), Base Excision (BER)and Nucleotide Excision Repair (NER). This study set out to identify the most highly conserved aminoacid sequence motifs in MutL...
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Odtwarzanie przebiegu trasy kolejowej o złożonym ukształtowaniu geometrycznym
PublikacjaKształt eksploatowanych torów kolejowych jest w niektórych sytuacjach bardzo złożony, a jednocześnie − jak wykazały przeprowadzone ciągłe pomiary satelitarne − niekiedy tak zdeformowany, że określenie kierunków głównych okazuje się niemożliwe.W pracy przedstawiono program komputerowy do odtwarzania przebiegu trasy kolejowej w takich właśnie przypadkach. Przygotowano zestaw funkcji realizujących połączenia prostych i łuków kołowych...
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Związki biologicznie aktywne w żywności i napojach
PublikacjaJuż od dłuższego czasu daje się zauważyć wzrost zainteresownia związkami biologicznie aktywnymi w żywności (szczególnie pochodzenia roślinnego) oraz napojach i sokach. W wielu ośrodkach naukowych trwają badania ukierunkowane na określenie aktywności przeciwutleniającej badanych próbek oraz oznaczenie zawartości polifenoli i innych związków o właściwościach przeciwutleniających (m.in. witaminy C oraz tokoferoli). W pracy przedstawiono...
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Survey on fuzzy logic methods in control systems of electromechanical plants
PublikacjaРассмотрены алгоритмы управления электромеханическими системами с использованием теории нечеткой логики, приводятся основные положения их синтеза, рассматриваются методы анализа их устойчивости на основе нечетких функций Ляпунова. Эти алгоритмы чаще всего реализуются в виде различных регуляторов, применение которых целесообразно в системах, математическая модель которых не известна, не детерминирована или является строго нелинейной,...
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Call and Connections Times in ASON/GMPLS Architecture
PublikacjaIt is assumed that demands of information soci- ety could be satisfied by architecture ASON/GMPLS comprehended as Automatically Switched Optical Network (ASON) with Generalized Multi-Protocol Label Switching (GMPLS) protocols. Introduction this solution must be preceded by performance evaluation to guarantee society expectations. Call and connections times are in ASON/GMPLS architecture important for real-time applications. Practical...
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FDTD-Compatible Green's function based on scalar discrete Green's function and multidimensional Z-transform
PublikacjaIn this contribution, a new formulation of the discrete Green's function (DGF) is presented for the finitedifference time-domain (FDTD) grid. Recently, dyadic DGF has been derived from the impulse response of the discretized scalar wave equation (i.e., scalar DGF) with the use of the multidimensional Z-transform. Its software implementation is straightforward because only elementary functions are involved and a single function...
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The equations for interactions of polarization modes in optical fibres including the kerr effect
PublikacjaWe have derived coupled nonlinear Schro¨ dinger equations (CNLSE) for arbitrary polarized light propagation in a single-mode fibre employing electromagnetic field complete description. We used a basis of transverse eigenmodes with appropriate projecting; hence, the nonlinear constants depend on the waveguide geometry. Accounting for a weak nonlinearity, which is connected to the Kerr effect, we have given explicit expressions for...
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Factors Shaping the Working Environment, Living Conditions and Recreation on Board Ship
PublikacjaA seagoing ship is a working place, an accommodation space and a recreation area at the same time. Being exposed to harsh physical conditions, it must satisfy different requirements. The human organism and its qualities become a point of reference here; consequently, the functions and spatial arrangement and interiors of a ship must be subordinated to its needs. The organisation of the space in contemporary ships meant for human...
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Lower rim substituted p-tert-butylcalix[4]arene; Part 14. Synthesis, structures and binding studies of calix[4]arene thioamides
PublikacjaA number of p-tert-butylcalix[4]arene thioamides were synthesized and characterized by 1H-NMR and elemental analysis. Compounds 1-5 are O-substituted derivatives with -CH2-C(=S)-N-X groups, where NX = morpholidyl, NEt2, NHC2H4Ph, NHCH2Ph and NHEt,respectively. The X-ray structures of the ligands 1, 3, 5 and of the complex 3Pb(ClO4)2, (compound 6), are presented and their slightly distorted cone conformation is established. The...
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Closed-form expression for the magnetic shielding constant of the relativistic hydrogenlike atom in an arbitrary discrete energy eigenstate: Application of the Sturmian expansion of the generalized Dirac–Coulomb Green function
PublikacjaWe present analytical derivation of the closed-form expression for the dipole magnetic shielding constant of a Dirac one-electron atom being in an arbitrary discrete energy eigenstate. The external magnetic field, by which the atomic state is perturbed, is assumed to be weak, uniform, and time independent. With respect to the atomic nucleus we assume that it is pointlike, spinless, motionless, and of charge Ze. Calculations are...
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Resonance Frequency Calculation of a Multilayer and Multipatch Spherical Microstrip Structure Using a Hybrid Technique
PublikacjaThis communication offers a rigorous analysis of the resonance frequency problem of a spherical microstrip structure mounted on a multilayer, dielectric-coated metallic sphere, with an electrically small radius. The structure consists of single or multiple metallic patches with arbitrary shapes. A full-wave analysis is employed with the use of proposed hybrid approach, combining the finite-difference technique with a spectral domain...
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On power stream in motor or drive system
PublikacjaIn a motor or in a drive system the quantity of power increases in the direction opposite to the direction of power flow. Energy losses and energy efficiency of a motor or a drive system must be presented as functions of physical quantities independent of losses. Such quantities are speed and load. But the picture of power stream in a motor or in a drive system is presented in the literature in the form of traditional Sankey...
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Structure of the interlayer between Au thin film and Si-substrate: Molecular Dynamics simulations
PublikacjaInteraction between 2, 3, 5 and 7 atomic layers of gold and a (111) silicon surface was investigated with the molecular dynamics simulation method. The simulation of the diffusion interaction between gold and silicon in the temperature range 425-925 K has been carried out. The peculiarities of the concentration changes of the interacting components and the atomic density at the boundary...
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On description of periodic magnetosonic perturbations in a quasi-isentropic plasma with mechanical and thermal losses and electrical resistivity
PublikacjaMagnetosonic periodic perturbations in a uniform and infinite plasma model are considered. Damping due to compressional viscosity, electrical resistivity, and thermal conduction are taken into account, as well as some heating–cooling function, which may destroy the isentropicity of wave perturbations. The wave vector forms arbitrary angle h with the equilibrium straight magnetic field, and all perturbations are functions...
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Integrated functional safety and cyber security analysis
PublikacjaThe chapter is devoted some important issues of the functional safety analysis, in particular the safety integrity level (SIL) verification of safety functions to be implemented within the distributed control and protection systems with regard to security aspects. A method based on quantitative and qualitative information is proposed for the SIL (IEC 61508, 61511) verification with regard of the evaluation assurance levels (EAL)...
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Sinusoidal Alternating-Current Voltammetry and Metrological Properties of a Flat Voltammetric Electrode in the Time Domain
PublikacjaIn this paper there were analyzed metrological properties of a flat electrode used to mark ions with the method of sinusoidal alternating-current voltammetry in the situation where on its surface an electrochemical reversible reaction of oxidizing / reduction takes place. The result of the analysis conducted is that such a voltammetric electrode functions like a converter type I. Metrological properties of such an electrode in...
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Karhunen-Loeve-based approach to tracking of rapidly fading wireless communication channels
PublikacjaWhen parameters of wireless communication channels vary at a fast rate, simple estimation algorithms, such as weighted least squares (WLS) or least mean squares (LMS) algorithms, cannot estimate them with the accuracy needed to secure the reliable operation of the underlying communication systems. In cases like this, the local basis function (LBF) estimation technique can be used instead, significantly increasing the achievable...
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Key logistics processes in project management based on organisation of an international training session-case study
PublikacjaImprovement of processes, including the logistics processes forms one of the essential aspects of modern business entities functioning. Search for the solutions allowing for quicker and less costly method of realisation of particular activities in highly significant, especially in the conditions of a dynamically changing environment in which the organisations have to function. It is a natural field occuring principally both in...
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Two‐functional μBIST for Testing and Self‐Diagnosis of Analog Circuits in Electronic Embedded Systems
PublikacjaThe paper concerns the testing of analog circuits and blocks in mixed‐signal Electronic Embedded Systems (EESs), using the Built‐in Self‐Test (BIST) technique. An integrated, two‐functional, embedded microtester (μBIST) based on reuse of signal blocks already present in an EES, such as microprocessors, memories, ADCs, DACs, is presented. The novelty of the μBIST solution is its extended functionality. It can perform 2 testing functions:...
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Modelling an accelerometer for robot position estimation
PublikacjaThe article describes a new model of a MEMS accelerometer for usage in inertial measurement units (IMU). Such units allow to measure orientation and location of the sensor/system and therefore can be applied for systems positioning. The main purpose of the paper is to model pertinent accelerometer functions substantial in determination of the location of the sensor by means of double integration of acceleration. The model takes...
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Fast EM-driven size reduction of antenna structures by means of adjoint sensitivities and trust regions
PublikacjaIn this letter, a simple yet robust and computationally efficient optimization technique for explicit size reduction of antenna structures is presented. Our approach directly handles the antenna size as the main design objective, while ensuring satisfactory electrical performance by means of suitably defined penalty functions. For the sake of accuracy, the antenna structure is evaluated using high-fidelity EM simulation. In order...
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Multilevel model order reduction with generalized compression of boundaries for 3-d FEM electromagnetic analysis
PublikacjaThis paper presents a multilevel Model Order Reduction technique for a 3-D electromagnetic Finite Element Method analysis. The reduction process is carried out in a hierarchical way and involves several steps which are repeated at each level. This approach brings about versatility and allows one to efficiently analyze complex electromagnetic structures. In the proposed multilevel reduction the entire computational domain is covered...
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Source-related Wavefields in Fluids and Dielectrics: A new way of Thinking about Medium Dynamics
PublikacjaAcoustic and electromagnetic wave phenomena may seem to have a proper formal representation in field theory dating from the 19th century, founded on the mathematics of complex functions. This paper shows, however, that when replacing the classical spectrum-domain approach related to the assumption of harmonic timeform of signals, with a time-domain approach imposingnorestrictionastotheclassoftimeevolutionofsourceandfieldsignals,...
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Derivation of Executable Test Models From Embedded System Models using Model Driven Architecture Artefacts - Automotive Domain
PublikacjaThe approach towards system engineering compliant to Model-Driven Architecture (MDA) implies an increased need for research on the automation of the model-based test generation. This applies especially to embedded real-time system development where safety critical requirements must be met by a system. The following paper presents a methodology to derive basic Simulink test models from Simulink system models so as to execute them...
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Diamond Structures for Tuning of the Finesse Coefficient of Photonic Devices
PublikacjaFinesse coefficient is one of the most important parameters describing the properties of a resonant cavity. In this research, a mathematical investigation of the application of diamond structures in a fiber-optic Fabry–Perot measurement head to assess their impact on the finesse coefficient is proposed. We present modeled transmission functions of cavities utilizing a nitrogen-doped diamond, a boron-doped diamond, nanocrystalline...
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Self-adwokatura jako forma wolontariatu osób z niepełnosprawnością
PublikacjaSelf-advocacy is both a competence necessary for independent adult life and a form of activity of people with disability in terms of exercising their rights to self-determine. It is also a form of social inclusion and participation, often having a character of volunteer engagement of people with disability in work for their minority group. Although the access of people with disability to the sphere of supporting other people...
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Studies of Nonlinear Sound Dynamics in Fluids Based on the Caloric Equation of State
PublikacjaThe sound speed and parameters of nonlinearity B/A, C/A in a fluid are expressed in terms of coefficients in the Taylor series expansion of an excess internal energy, in powers of excess pressure and density. That allows to conclude about features of the sound propagation in fluids, the internal energy of which is known as a function of pressure and density. The sound speed and parameters of nonlinearity in the mixture consisting...
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Markov Model of Disease Development and Recovery
PublikacjaMarkov models are commonly used to simulate diseases and allow modeling of multiple health states and outcomes. Starting with the well known Le Bras multistate model (cascading failure model) with time-independent transitions we will see how simple Markov mortality models may be pressed into the service of survival and event history analysis. We will focus on more complex models which will be able to take into account remission,...
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Analysis of the objects images on the sea using Dempster-Shafer Theory
PublikacjaThe paper presents the concept of using aerial and satellite imagery or images coming from the marine radar to identify and track vessels at sea. The acquired data were subjected to a highly advanced image analysis. The development of remote sensing techniques allows to gain a huge amount of data. These data are useful information source however usually we have to use different data mining methods to gain interested information....
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On the interspike-intervals of periodically-driven integrate-and-fire models
PublikacjaWe analyze properties of the firing map, which iterations give information about consecutive spikes, for periodically driven linear integrate-and-fire models. By considering locally integrable (thus in general not continuous) input functions, we generalize some results of other authors. In particular, we prove theorems concerning continuous dependence of the firing map on the input in suitable function spaces. Using mathematical...
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Molecular docking studies towards development of novel Gly-Phe analogs for potential inhibition of Cathepsin C (dipeptidyl peptidase I).
PublikacjaCathepsin C is a cysteine protease required for activation of various pro-inflammatory serine proteases and, essentially, is of interest as a therapeutic target. Cathepsin C coordinate system was employed as a model to study the interaction of some already available inhibitors of Cathepsin C. Compounds containing Gly-Phe fragment with functional groups at its ends were designed by knowledge based approach. Using AutoDock and...
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Chemometrics approaches to green analytical chemistry procedure development
PublikacjaChemometric tools are widely used in analytical chemistry for the reduction of data dimensionality, grouping of variables and processing of analytical signals. They have also the potential to be applied in analytical procedure development with the aim of minimizing the procedure’s environmental impact. The design of experiment gives the possibility to obtain much better information on the system response than in case of “changing...
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INTEGRATED FUNCTIONAL SAFETY AND CYBERSECURITY ANALYSIS METHOD FOR SMART MANUFACTURING SYSTEMS
PublikacjaThis article addresses integrated functional safety and cybersecurity analysis with regard to: the generic functional safety standard IEC 61508 and the cyber security standard IEC 62443 concerning an industrial automation and control system (IACS). The objective is to mitigate the vulnerability of information technology (IT) and operational technology (OT) systems, and reduce relevant risks taking into account a set of fundamental...
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Fuzzy Multi-Regional Fractional PID controller for Pressurized Water nuclear Reactor
PublikacjaThe paper presents the methodology for the synthesis of a Fuzzy Multi-Regional Fractional Order PID controller (FMR-FOPID) used to control the average thermal power of a PWR nuclear reactor in the load following mode. The controller utilizes a set of FOPID controllers and the fuzzy logic Takagi-Sugeno reasoning system. The proposed methodology is based on two optimization parts. The first part is devoted to finding the optimal...
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Multiresolution analysis and adaptive estimation on a sphere using stereographic wavelets
PublikacjaWe construct an adaptive estimator of a density function on d dimensional unit sphere Sd (d ≥ 2), using a new type of spherical frames. The frames, or as we call them, stereografic wavelets are obtained by transforming a wavelet system, namely Daubechies, using some stereographic operators. We prove that our estimator achieves an optimal rate of convergence on some Besov type class of functions by adapting to unknown smoothness....
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Georg Simmel’s The Philosophy of Money and the Modernization Paradigm
PublikacjaThis article examines Georg Simmel’s contribution to the understanding of how money functions in modern society, mainly scrutinizing his most important work on that topic, The Philosophy of Money, in the context of modernization theories. Modernization theories, as developed (most notably) by Marx, Weber, Durkheim, and Elias, attempted to explain the transition from feudalism and a closed agrarian economy to capitalism and industrial...
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Fading Analysis in Off-Body Channels in a Straight Metallic Corridor in a Passenger Ferry Environment
PublikacjaThis paper presents a fading analysis for Body Area Networks off-body communications at 2.45 GHz in a passenger ferry environment. The results are based on measurements performed for dynamic scenarios in a straight metallic corridor. Two components, extracted from instantaneous system loss values, have been analysed: small- and large-scales fading, separately for each scenario. Well-known probability distribution functions have...
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Effect of heat treatment on the diffusion intermixing and structure of the Cu thin film on Si (111) substrate: a molecular dynamics simulation study
PublikacjaThis work is devoted to the study of the diffusion process at the interface between copper films with a thickness of 2, 3, 4, 7 and 10 atomic monolayers and silicon substrate by molecular dynamics simulation method. For this purpose, the variation of the concentration of copper and silicon along the perpendicular direction to the interface was investigated. An analysis of the density profile along this direction made it possible...
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Modified dynamic time warping method applied to handwritten signature authenticity verification
PublikacjaA signature verification system based on static features and time-domain functions of signals obtained using a tablet has been presented in the paper. The signature verification method, based mainly on dynamic time warping coupled with some signature image features, has been described. The FRR measures reflecting the method’s efficiency have been evaluated for verification attempts performed directly after obtaining model signatures...
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Ultrawideband transmission in physical channels: a broadband interference view
PublikacjaThe superposition of multipath components (MPC) of an emitted wave, formed by reflections from limiting surfaces and obstacles in the propagation area, strongly affects communication signals. In the case of modern wideband systems, the effect should be seen as a broadband counterpart of classical interference which is the cause of fading in narrowband systems. This paper shows that in wideband communications, the time- and frequency-domain...
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Optimization of Hydrogen - Evolving Photochemical Molecular Devices
PublikacjaA molecular photocatalyst consisting of a RuII photocenter, a tetrapyridophenazine bridging ligand, and a PtX2 (X=Cl or I) moiety as the catalytic center functions as a stable system for light-driven hydrogen production. The catalytic activity of this photochemical molecular device (PMD) is significantly enhanced by exchanging the terminal chlorides at the Pt center for iodide ligands. Ultrafast transient absorption spectroscopy...
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Optimally regularized local basis function approach to identification of time-varying systems
PublikacjaAccurate identification of stochastic systems with fast-varying parameters is a challenging task which cannot be accomplished using model-free estimation methods, such as weighted least squares, which assume only that system coefficients can be regarded as locally constant. The current state of the art solutions are based on the assumption that system parameters can be locally approximated by a linear combination of appropriately...
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Structure and evolution of the 4-helix bundle domain of Zuotin, a J-domain protein co-chaperone of Hsp70
PublikacjaThe J-domain protein Zuotin is a multi-domain eukaryotic Hsp70 co-chaperone. Though it is primarily ribosome-associated, positioned at the exit of the 60S subunit tunnel where it promotes folding of nascent polypeptide chains, Zuotin also has off-ribosome functions. Domains of Zuotin needed for 60S association and interaction with Hsp70 are conserved in eukaryotes. However, whether the 4-helix bundle (4HB) domain is conserved remains...
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In situ spectroelectrochemical and theoretical study on the oxidation of a 4H-imidazole-ruthenium dye adsorbed on nanocrystalline TiO2thin film electrodes
PublikacjaTerpyridine 4H-imidazole-ruthenium(ii) complexes are considered promising candidates for use as sensitizers in dye sensitized solar cells (DSSCs) by displaying broad absorption in the visible range, where the dominant absorption features are due to metal-to-ligand charge transfer (MLCT) transitions. The ruthenium(iii) intermediates resulting from photoinduced MLCT transitions are essential intermediates in the photoredox-cycle...
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Quenching effects in organic electroluminescence
PublikacjaWe examine various electronic processes that underlie the quenching of the emission from highly efficient phosphorescent and electrophosphorescent organic solid-state molecular systems. As an example, we study the luminescent efficiencies from the phosphorescent iridium (III) complex, fac tris (2-phenylpyridine) iridium [(Ir (ppy)3] doped into a diamine derivative doped polycarbonate hole-transporting matrix and in the form...
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Reduced-cost constrained miniaturization of wideband antennas using improved trust-region gradient search with repair step
PublikacjaIn the letter, an improved algorithm for electromagnetic (EM)-driven size reduction of wideband antennas is proposed. Our methodology utilizes variable-fidelity EM simulation models, auxiliary polynomial regression surrogates, as well as multi-point response correction. The constraint handling is implicit, using penalty functions. The core optimization algorithm is a trust-region gradient search with a repair step added in order...
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HYDROGEN PRODUCTION PERFORMANCE IN THERMOCATALYTIC REACTOR BASED ON THE INTERMETALLIC PHASE OF NI3AL
PublikacjaThe main aim of the following paper is mathematical modelling for momentum, heat and mass transfer, which is accompanied by chemical surface reactions of the flow of the mixture helium and methanol. The thermocatalytic devices used for decomposition of hydrocarbons incorporate vertical microchannels coupling at the ends and heated to 500 oC at the walls. The results of the experiment were compared with CFD calculations to calibrate...
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Identification and non-integer order modelling of synchronous machines operating as generator
PublikacjaThis paper presents an original mathematical model of a synchronous generator using derivatives of fractional order. In contrast to classical models composed of a large number of R-L ladders, it comprises half-order impedances, which enable the accurate description of the electromagnetic induction phenomena in a wide frequency range, while minimizing the order and number of model parameters. The proposed model takes into account...
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MutL protein as a constituent of vsp, ner and mmr repair systems
PublikacjaMutS and MutL proteins are renowned mostly for their functions in well-characterized, post-DNA replication mis- match repair system (MMR). However, there is growing evidence that MMR system is not the only field of action for these pro- teins. Moreover, the participation in MMR does not even have to be their primary function. There are some reports indicat- ing involvement of MutL in BER, NER and VSP (very short patch repair)....