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Wyniki wyszukiwania dla: CASP, COVID, EMA, MODEL ACCURACY, PROTEIN STRUCTURE PREDICTION, SARS-COV-2
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Azomacrocyclic derivatives of imidazole: synthesis, structure, and metal ion complexation properties
PublikacjaNew azocrown ethers comprising imidazoles in the macrocycle have been synthesized. Imidazole, 2-methyl-, 4-methyl-, and 4-phenylimidazole were incorporated to form macrocyclic units by coupling with the appropriate bis-diazonium salts. The syntheseswere performed under high dilution conditions. The X-ray structure of a water adduct of the 21-membered crown ether derivative of 4-methylimidazole 8 has been solved. Metal...
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Software modules and application layer's security structure of RSMAD
PublikacjaThe paper discusses the software modules of Radio System for Monitoring and Acquisition of Data from Traffic Enforcement Cameras (in short RSMAD). The structure of the application layer of the system has also been analysed in details, including: purpose, structure and principles of operation of software modules constituting this system. In addition, the paper presents and discusses the structure of security of application layer...
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Failure mode prediction for composite structural insulated panels with MgO board facings
PublikacjaSandwich panels are readily used in civil engineering due to their high strength to weight ratio and the ease and speed of assembly. The idea of a sandwich section is to combine thin and durable facings with a light-weight core and the choice of materials used allows obtaining the desired behaviour. Panels in consideration consist of MgO (magnesium oxide) board facings and expanded polystyrene core and are characterized by immunity...
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An upper bound on the 2-outer-independent domination number of a tree
PublikacjaA 2-outer-independent dominating set of a graph G is a set D of vertices of G such that every vertex of V(G)D has a at least two neighbors in D, and the set V(G)D is independent. The 2-outer-independent domination number of a graph G, denoted by gamma_2^{oi}(G), is the minimum cardinality of a 2-outer-independent dominating set of G. We prove that for every nontrivial tree T of order n with l leaves we have gamma_2^{oi}(T) <= (n+l)/2,...
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Crystal structure and physical properties of AePd1-xP1+x (Ae = Ca, Sr)
PublikacjaWe report the discovery of two new compounds AePd1-xP1+x (Ae = Ca, Sr) crystallized in different hexagonal structures. Single crystals of AePd1-xP1+x (Ae = Ca, Sr) are obtained using the Bi-flux method. Crystallographic analysis by both powder and single crystal X-ray diffraction shows that CaPd1-xP1+x crystallizes in a non-centrosymmetric hexagonal structure with the space group P-6m2 (No.187) and lattice parameters a = b = 4.0391(9)...
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Inhibition Ability of Natural Compounds on Receptor-Binding Domain of SARS-CoV2: An In Silico Approach
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Why is the cubic structure preferred in newly formed ice?
PublikacjaMolecular dynamics was employed to explain the preference for the cubic structure in newly formed crystals of ice. The results showed that in supercooled liquid water the molecules connected by hydrogen bonds are more likely to adopt relative orientations similar to the ones characteristic for cubic ice. The observed preference for certain relative orientations of molecules in the hydrogen-bonded pairs results in the higher probability...
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Integration of a Multilevel Transport System Model into Sustainable Urban Mobility Planning
PublikacjaWhen planning their transport policy, cities usually focus on developing sustainable transport systems and reducing the negative consequences of transport. One way to deliver transport policies is to use the Sustainable Urban Mobility Plan (SUMP), a strategic document designed to meet the demand for mobility whilst ensuring adequate quality of life for the residents. The process of Sustainable Urban Mobility Planning (SUMP process)...
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(S)-N-Nitrosoazetidine-2-carboxylic acid.
PublikacjaAnaliza rentgenograficzna monokryształów kwasu (S)-N-nitozoazetydyno-2-karboksylowego wykazała, że reszta N-nitrozoaminowa przyjmuje konfigurację E. Azetydynowy atom azotu jest nieznacznie piramidalny. Cząsteczki w sieci krystalicznej oddziałują ze sobą poprzez wiązania wodorowe pomiędzy atomem tlenu grupy nitrozowej i atomem wodoru grupy karboksylowej, tworząc polimeryczny łańcuch.
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Regulation of the First Committed Step in Lipopolysaccharide Biosynthesis Catalyzed by LpxC Requires the Essential Protein LapC (YejM) and HslVU Protease
PublikacjaWe previously showed that lipopolysaccharide (LPS) assembly requires the essential LapB protein to regulate FtsH-mediated proteolysis of LpxC protein that catalyzes the first committed step in the LPS synthesis. To further understand the essential function of LapB and its role in LpxC turnover, multicopy suppressors of ΔlapB revealed that overproduction of HslV protease subunit prevents its lethality by proteolytic degradation...
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An automated learning model for twitter sentiment analysis using Ranger AdaBelief optimizer based Bidirectional Long Short Term Memory
PublikacjaSentiment analysis is an automated approach which is utilized in process of analysing textual data to describe public opinion. The sentiment analysis has major role in creating impact in the day-to-day life of individuals. However, a precise interpretation of text still relies as a major concern in classifying sentiment. So, this research introduced Bidirectional Long Short Term Memory with Ranger AdaBelief Optimizer (Bi-LSTM RAO)...
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The validation process of truss model with joint eccentricities
PublikacjaNowadays, due to the technological reasons in modern lightweight steel trusses, fabricated from cold-formed sections, positive eccentricities appear in the truss nodes, to induce additional forces truss chords. In order to account for the real load-carrying capacity of truss node area the steel structure research was conducted in scale 1:1. As a result of experimental research, the forms of deformation and strains of the walls...
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Influence of dopants on structure of polycrystalline bismuth niobate
PublikacjaBismuth niobate (BiNbO4) has attracted attention as a low-fired ceramics with promising microwave application potential. BiNbO4 ceramics was fabricated by mixed oxide method and sintered at temperature T<1000˚C. As the sintering aids a small amount of CuO oxide was used. The crystalline structure of the ceramic samples was examined by X-ray diffraction method at room temperature. The Rietveld refinement method was used for analysis...
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Novel 2-(2-arylmethylthio-4-chloro-5-methylbenzenesulfonyl)-1-(1,3,5-triazin-2-ylamino)guanidine derivatives: Inhibition of human carbonic anhydrase cytosolic isozymes I and II and the transmembrane tumor-associated isozymes IX and XII, anticancer activity, and molecular modeling studies
PublikacjaA series of novel 2-(2-arylmethylthio-4-chloro-5-methylbenzenesulfonyl)-1-(6-substituted-4-chloro-1,3,5-triazin-2-ylamino)guanidine derivatives 9–20 have been synthesized by substitution of chlorine atom at the 1,3,5-triazine ring in compounds 5–8 with 3- or 4-aminobenzenesulfonamide and 4-(aminomethyl)benzenesulfonamide hydrochloride. All the synthesized compounds were evaluated for their inhibitory activity toward hCA I, II,...
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Impedance Spectra of RC Model as a Result of Testing Pulse Excitation Measurement Method Dataset
PublikacjaThe dataset titled Impedance spectra of RC model as a result of testing pulse excitation measurement method contains the impedance spectrum of an exemplary test RC model obtained using pulse excitation. The dataset allows presentation of the accuracy of the impedance spectroscopy measuring instrument, which uses the pulse excitation method to shorten the time of the whole spectrum acquisition.
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X-Ray Structure Analysis Online
Czasopisma -
1-(2-Pyridylazo)-2-naphthol as Possible Analytical Reagent
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Photogrammetric and total station's measurement of compressed column's model
PublikacjaModelling studies continue to play an important role. One of such study is stress determination in the reinforcement bars of reinforced columns and determine column's axis deformation. The article presents measurements results of control points located on the model of reinforced concrete column. The column was compressed in few series till it's destruction. In this studies, photogrammetric method and total station measurements...
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Control of nonlinear and linearized model of self-balancing electric motorcycle
PublikacjaSelf-Balancing Electric Motorcycle (SBEM) is a dynamic and nonlinear electro-mechanical system. In this paper, the process of mathematical modelling and line-arization of SBEM is presented. The model of the control system in Matlab envi-ronment is implemented. The control system using the PID controller is designed. The operation of particular structures of the PID controller on the simulation model is compared. Due to simulation...
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Cytokine TGFβ Gene Polymorphism in Asthma: TGF-Related SNP Analysis Enhances the Prediction of Disease Diagnosis (A Case-Control Study With Multivariable Data-Mining Model Development)
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Analysis of Reconstituted Tripartite Complex Supports Avidity-based Recruitment of Hsp70 by Substrate Bound J-domain Protein
PublikacjaHsp70 are ubiquitous, versatile molecular chaperones that cyclically interact with substrate protein(s). The initial step requires synergistic interaction of a substrate and a J-domain protein (JDP) cochaperone, via its J-domain, with Hsp70 to stimulate hydrolysis of its bound ATP. This hydrolysis drives conformational changes in Hsp70 that stabilize substrate binding. However, because of the transient nature of substrate and JDP...
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Comparison of properties of the new electro-mechanical model and circumferential model of the inductive-dynamic drive
PublikacjaThe article presents a new electromechanical model of inductive-dynamic drive. The model is implemented in two environments: Maxwell for analyzing electrodynamic phenomena including moving of the disc and Ansys which allows for stress analysis on the basis of the volume forces imported from Maxwell. Additionally, a model validation by comparing with the existing circumferential model was carried out.
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Continuation classes for a non-linear Leslie population model with 2 varying parameters
Dane BadawczeThis dataset contains selected results of rigorous numerical computations conducted in the framework of the research described in the paper "A database schema for the analysis of global dynamics of multiparameter systems" by Z. Arai, W. Kalies, H. Kokubu, K. Mischaikow, H. Oka, P. Pilarczyk, published in SIAM Journal on Applied Dynamical Systems (SIADS),...
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Multi-Fidelity Local Surrogate Model for Computationally Efficient Microwave Component Design Optimization
PublikacjaIn order to minimize the number of evaluations of high-fidelity (“fine”) model in the optimization process, to increase the optimization speed, and to improve optimal solution accuracy, a robust and computational-efficient multi-fidelity local surrogate-model optimization method is proposed. Based on the principle of response surface approximation, the proposed method exploits the multi-fidelity coarse models and polynomial interpolation...
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Synthesis, physicochemical and theoretical studies on new rhodium and ruthenium dimers. Relationship between structure and cytotoxic activity
PublikacjaTwo dimeric compounds of the general formulae (Et3NH)2[Rh2(μ2-L)4Cl2] (1) (where L = thiophene-2-carboxylate) and [((η6-p-cymene)Ru)2(μ-Cl)3]PF6 (2) have been synthesized using a new method. The unique anionic complex 1 (space group P bca) has octahedral coordination in which the equatorial positions are occupied by the oxygen atoms of four thiophene-2-carboxylates in a paddle wheel fashion. In complex 2 (space group ), each Ru(II)...
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A structure and simulation-driven design of compact CPW-fed UWB antenna
PublikacjaIn this letter, a structure of a miniaturized ultra-wideband CPW-fed antenna and its design proce-dure are presented. The antenna is a modified version of the design previously proposed in the literature, with additional degrees of freedom introduced in order to improve the structure flexibility. The small size is achieved by executing a rigorous optimization procedure that consists of two stages: (i) smart random search carried...
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Dehydration converts DsbG crystal diffraction from low to high resolution
PublikacjaDiffraction quality crystals are essential for crystallographic studies of protein structure, and the production of poorly diffracting crystals is often regarded as a dead end in the process. Here we show a dramatic improvement of poorly diffracting DsbG crystals allowing high-resolution diffraction data measurement. Before dehydration, the crystals are fragile and the diffraction pattern is streaky, extending to 10 Å resolution....
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Role of miR-15b/16–2 cluster network in endometrial cancer: An in silico pathway and prognostic analysis
PublikacjaEndometrial cancer (EC) is the second most common cancer in women. A large number of human cancers exhibit dysregulation of microRNA expression including EC. MiR-15b/16–2 is one of the best-known miRNA clusters that is expressed in many types of cancer tissues. Herein, we analyzed the expression of individual miR-15b/16–2 cluster members, its paralogues, and their target network analysis, as well as their prognostic significance...
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Novel 5-Substituted 2-(Aylmethylthio)-4-chloro-N-(5-aryl-1,2,4-triazin-3-yl)benzenesulfonamides: Synthesis, Molecular Structure, Anticancer Activity, Apoptosis-Inducing Activity and Metabolic Stability
PublikacjaA series of novel 5-substituted 2-(arylmethylthio)-4-chloro-N-(5-aryl-1,2,4-triazin-3-yl) benzenesulfonamide derivatives 27–60 have been synthesized by the reaction of aminoguanidines with an appropriate phenylglyoxal hydrate in glacial acetic acid. A majority of the compounds showed cytotoxic activity toward the human cancer cell lines HCT-116, HeLa and MCF-7, with IC50 values below 100 M. It was found that for the analogues 36–38...
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HYBRID REDUCED MODEL OF ROTOR
PublikacjaIn the paper, the authors describe the method of model reduction of a rotor system. The proposed approach enables to obtain a low order model including e.g. nonproportional damping or the gyroscopic effect. This method is illustrated using the example of a rotor system. First, a model of the system was built without gyroscopic and damping effects by using the rigid finite element method. Next, this model was reduced. Finally, two...
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Effect of chemical structure on complexation efficiency of aromatic drugs with cyclodextrins: The example of dibenzazepine derivatives
PublikacjaIt is widely believed that the hydrophobic effect governs the binding of guest molecules to cyclodextrins (CDs). However, it is also known that high hydrophobicity of guest molecules does not always translate to the formation of stable inclusion complexes with CDs. Indeed, a plethora of other factors can play a role in the efficiency of guest–CD interactions, rendering structure-based prediction of the complexation efficiency with...
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A material model of asphalt mixtures based on Monte Carlo simulations
PublikacjaThe paper aims to numerically reflect mineral-asphalt mixture structure by a standard FEM software. Laboratory test results are presented due to bending tests of circular notched elements. The result scatter is relatively high. An attempt was made to form a random aggregate distribution in order to obtain various results corresponding to laboratory tests. The material structure calibration, its homogenization and finite element...
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An Algorithm for Listing All Minimal 2-Dominating Sets of a Tree
PublikacjaWe provide an algorithm for listing all minimal 2-dominating sets of a tree of order n in time O(1.3248n) . This implies that every tree has at most 1.3248 n minimal 2-dominating sets. We also show that this bound is tigh.
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The Undisrupted Growth of the Airbnb Phenomenon between 2014–2020. The Touristification of European Cities before the COVID-19 Outbreak
PublikacjaAs a result of the Airbnb eruption, not only has the character of the short-term rental market been completely transformed, but the decades long growth in tourism has also been further accelerated. Therefore, due to the new demands of the tourism economy, the major shift in the usage of historic city centers occurred–the process of ‘touristification’, that results in the emergence of its new, unsustainable form. Despite the significance...
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Reply to “Comment on ‘Crystal Structure Prediction by Global Optimization as a Tool for Evaluating Potentials: Role of the Dipole Moment Correction Term in Successful Predictions'” by B. P. van Eijck and J. Kroon
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CONTROL OF THE WAVES IN A TOWING TANK WITH THE USE OF A BLACK-BOX MODEL
PublikacjaThe paper describes an adaptive control system of the waves, implemented in the Ship Design and Research Centre, CTO S.A. The purpose of generating the waves in the towing tank is the modelling of the environmental conditions during hydrodynamic model tests. The tests are performed on scale models of towed or free running ships, anchored structures like oil rigs or bottommounted structures, e.g. wind turbines. In the towing tank...
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IMPACT OF THE FINANCING STRUCTURE ON EFFICIENCY OF HEALTHCARE SYSTEMS IN THE FORMER EASTERN BLOC COUNTRIES
PublikacjaOut-of-pocket expenditures are a significant barrier in accessing health services. This paper aims to analyse the structure of financing system in the context of the performance indicators of healthcare systems. The study was conducted for the 28 countries of the former Eastern bloc in the years 2000 and 2013, based on data from the World Health Organization. In the DEA-CCR input-oriented model, inputs are the percentage share...
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Graphs with equal domination and 2-distance domination numbers
PublikacjaW publikacji scharakteryzowane są wszystkie te drzewa i grafy jednocykliczne, w których liczba dominowania oraz liczba 2-dominowania na odległość są sobie równe.
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Edge coloring of graphs of signed class 1 and 2
PublikacjaRecently, Behr (2020) introduced a notion of the chromatic index of signed graphs and proved that for every signed graph (G, σ) it holds that ∆(G) ≤ χ′(G,σ) ≤ ∆(G) + 1, where ∆(G) is the maximum degree of G and χ′ denotes its chromatic index. In general, the chromatic index of (G, σ) depends on both the underlying graph G and the signature σ. In the paper we study graphs G for which χ′(G, σ) does not depend on σ. To this aim we...
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Assessing the Risk in Urban Public Transport for Epidemiologic Factors
PublikacjaPandemics have presented new challenges for public transport organisers and operators. New diseases (e.g., influenza H1N1, severe acute respiratory syndrome—SARS, as well as, more recently, SARS-CoV-2) increase the need for new protection measures to prevent epidemic outbreaks in public transport infrastructure. The authors’ goal is to present a set of actions in the area of public transport that are adjusted to different levels...
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Explicit solvent repulsive scaling replica exchange molecular dynamics ( RS‐REMD ) in molecular modeling of protein‐glycosaminoglycan complexes
PublikacjaGlycosaminoglcyans (GAGs), linear anionic periodic polysaccharides, are crucial for many biologically relevant functions in the extracellular matrix. By interacting with proteins GAGs mediate processes such as cancer development, cell proliferation and the onset of neurodegenerative diseases. Despite this eminent importance of GAGs, they still represent a limited focus for the computational community in comparison to other classes...
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A simplified behavioral MOSFET model based on parameters extraction for circuit simulations.
PublikacjaThe paper presents results on behavior modeling of general purpose Metal-Oxide Semiconductor Field-Effect Transistor (MOSFET) for simulation of power electronics systems requiring accuracy both in steady-state and in switching conditions. Methods of parameters extraction including nonlinearity of parasitic capacitances and steady-state characteristics are based on manufacturer data sheet and externally measurable characteristics....
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Statistical Method for Analysis of Interactions Between Chosen Protein and Chondroitin Sulfate in an Aqueous Environment
PublikacjaWe present the statistical method to study the interaction between a chosen protein and another molecule (e.g., both being components of lubricin found in synovial fluid) in a water environment. The research is performed on the example of univariate time series of chosen features of the dynamics of mucin, which interact with chondroitin sulfate (4 and 6) in four different saline solutions. Our statistical approach is based on recurrence...
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Influence of nonlinearities on the efficiency and accuracy of FEM calculations on the example of a steel build-up thin-walled column
PublikacjaDue to the increase of computing capabilities of standard processing units, it is possible to perform complex analyses, considering a number of nonlinearities, such as geometric, material and boundary (contact) even on personal computers. In the paper, the authors have analysed the efficiency and accuracy of standard PC’s FEM calculations performed in Abaqus CAE 2017 software on the example of a critical load assessment of a thin-walled...
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The structure of demand and its economic consequences for urban transport
PublikacjaThe structure of demand for urban transport services, determined by the share of passengers entitled to free and reduced fares, is an important factor influencing its economic condition. The aim of this article is to present the results of research into the structure of demand for urban transport as well as its economic consequences. The article begins by considering the nature of the determinants and consequences of the public...
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COVID-19 in Pediatric Intensive Care Units in Poland, PAPITCO-19 Study (Polish Analysis of PICU Trends during COVID-19)
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Spatial differentiation of road safety in Europe based on NUTS-2 regions
PublikacjaRoad safety varies significantly across the regions in Europe. To understand the factors behind this differentiation and the effects they have, data covering 263 NUTS-2 (Nomenclature of Territorial Units for Statistics) regions across Europe (European Union and Norway) have been analysed. The assessment was made using Geographically Weighted Regression (GWR). As a dependent variable the Road Fatality Rate (RFR – number of fatalities...
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Nonlinear Model of Synchronous Generator for Autonomous Electrical Power Systems Analysis
PublikacjaThis paper presents the nonlinear lookup table model for synchronous generator (SG) analysis. The saturation effects of the SG magnetic circuit have been considered. The saturated characteristic of the SG magnetic circuit are based on the open circuit saturation curve for magnetizing inductances. The model has been implemented into the Synopsys/Saber software using the MAST modelling language. To implement the no-load voltage characteristic...
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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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Impact of Spatial Noise Correlation on Bearing Accuracy in DIFAR Systems
PublikacjaDIFAR type underwater passive systems are one of the more commonly used tools for detecting submarines. At the design stage, which usually uses computer simulations, it is necessary to generate acoustic noise of the sea. It has been shown that correlating noise significantly reduces these errors compared to the assumption that noise is uncorrelated. In addition, bearing errors have been shown to be the same in systems with a commonly...