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Search results for: STRUKTURY WIROWE
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Fluorescent Tricyclic Analogues of Acyclovir and Ganciclovir. A Structure−Antiviral Activity Study
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Azomacrocyclic derivatives of imidazole: synthesis, structure, and metal ion complexation properties
PublicationNew 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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Structure – chiroptical properties relationship of cisoid enones with an α-methylenecyclopentanone unit
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Analysis of molecular structure of starch citrate obtained by a well-stablished method
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The role of intermolecular interactions in stabilizing the structure of the nematic twist-bend phase
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Analysis of the amount of retained austenite in the structure of steel rolls for sheet rolling
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Influence of TiO2 structure on its photocatalytic activity towards acetaldehyde decomposition
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Effects of Coulomb interaction on the electronic structure and lattice dynamics of the Mott insulatorFe2SiO4spinel
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Poly(vinyl alcohol)/GO-MMT nanocomposites: Preparation, structure and properties
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Enhancement of the structure stability of MOF‐5 confined to multiwalled carbon nanotubes
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Structure and elastic properties of Mg(OH)2from density functional theory
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Elastic wave propagation in frame structure in the context of structural health monitoring
PublicationPraca dotyczy propagacji fal sprężystych r konstrukcji ramowej w ośrodku typu belka Timoszenki. Do obliczeń numerycznych wykorzystano wielowęzłowe spektralne elementy skończone klasy C0. Omówiono algorytm całkowania po czasie i sformułowano wnioski dotyczące liczby węzłów na długość fali.
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Simulation of damage process of containership's side structure due to collision with a rock
PublicationW artykule przedstawiono wyniki uproszczonego modelowania numerycznego procesu kolizji burty kontenerowca ze skałą. Analiza wyników modelowania pozwala wyciągnąć wnioski o charakterze zjawiska jak również określić obszar i głębokość uszkodzenia wywołanego przez penetrującą skałę w celu doboru wymiarów geometrii i wypełniacza dla drugiej bariery ochronnej.
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Processing data on sea bottom structure obtained by means of the parametric sounding
PublicationThe aim of the paper is to analyze data obtain during sounding of the Gdansk Bay by means of the parametric sonar. The accuracy of the sea bottom structure investigation needs the correct configuration of research equipment and the proper calibration of peripheral devices (GPS, heading sensor, motion sensor MRU-Z and navigation units) which provide necessary data to bathymetrical measurement system enabling its work with whole...
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Electronic structure of PrBa2Cu3O7 after high-pressure compressionfrom first principles
PublicationW pracy zbadano wpływ ściskania wysokociśnieniowego (P=9GPa) na elektronową strukturę pasmową, rozkład ładunku i momenty magnetyczne w pełni utlenionego stechiometrycznego układu PrBa2Cu3O7. Zaobserwowano następujące zmiany wywołane ściskaniem: (1) zmniejszoną gęstość stanów (DOS) na poziomie Fermiego Ef, (2) zwiększona różnicę pomiędzy wartościami DOS dla stanów "spin-up" i "spin-down" w najbliższym otoczeniu Ef, (3) zmniejszone...
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Preparation and structure of nanocrystalline sol-gel derived lithium titanate powder
Publicationw pracy szczegółowo opisano nowatorską metodę wytwarzania nanokrystalicznych proszków tytanianu litu. przedstawiono wyniki badań wykonanych próbek.
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Structure and Molecular Dynamics in Renewable Polyamides from Dideoxy-Diamino Isohexide
PublicationThe chemical structure, the conformation, andthe flexibility of the polymer chain fragments present in thepolyamides synthesized from 2,5-diamino-2,5-dideoxy-1,4;3,6-dianhydrosorbitol, 1,4-diaminobutane, and either sebacic orbrassylic acid have been studied by liquid-state 2D NMRspectroscopy viz. correlation spectra (COSY) and heteronuclearmultiple-bond correlation spectra (gHMBC), by 13Ccross-polarization/magic-angle spinning...
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Structure and wettability of heterogeneous monomolecular films of phospholipids with cholesterol or lauryl gallate
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Hybrid carbon-TiO2 spheres: Investigation of structure, morphology and spectroscopic studies
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Minimal parameter implicit solvent model for ab initioelectronic-structure calculations
PublicationAbstract - We present an implicit solvent model for ab initio electronic-structure calculations which is fully self-consistent and is based on direct solution of the nonhomogeneous Poisson equation. The solute cavity is naturally defined in terms of an isosurface of the electronic density according to the formula of Fattebert and Gygi (J. Comput. Chem., 23 (2002) 662). While this model depends on only two parameters, we demonstrate...
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Structure of sol-gel derived Nb2O5 films for active coating devices
PublicationW artykule przedstawiono wyniki badań struktury cienkich warstw nb2o5 otrzymywanych metodą zol-żel. wytworzone warstwy charakteryzowano pod kątem zastosowania jako materiałów na aktywne pokrycia fotoniczne.
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Hydrazinolysis Products of Selected Sugar Lactones—Crystal Structure and Microbiological Activity
PublicationCommercially available lactones, as well as those synthesized by us, turned out to be good substrates for the synthesis of sugar hydrazides. The exception was L-ascorbic acid, whose hydrazinolysis led to the formation of a hydrazinium salt, not the hydrazide as expected. The structure of all compounds was confirmed by NMR and X-ray analyses. The lower durability of hydrazinium L-ascorbate was additionally confirmed by thermogravimetric...
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Magnetic properties of α-KCoPO4 compound with a chiral polar crystal structure
PublicationWe have obtained polycrystalline samples of a metastable α variant of KCoPO4 by low temperature (350–400 °C) solid state metathesis reaction of potassium oxalate and ammonium cobalt orthophosphate. The material crystallizes in a polar chiral structure (sg. P63, no. 173). Measurements of magnetic properties reveal antiferromagnetic interactions and no ordering observed down to T = 1.9 K, well below the Weiss temperature |Θcw| =...
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Comprehensive Investigation of Stoichiometry–Structure–Performance Relationships in Flexible Polyurethane Foams
PublicationPolyurethane (PU) foams are versatile materials with a broad application range. Their performance is driven by the stoichiometry of polymerization reaction, which has been investigated in several works. However, the analysis was often limited only to selected properties and compared samples differing in apparent density, significantly influencing their performance. In the bigger picture, there is still a lack of comprehensive studies...
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Single and Series of Multi-valued Decision Diagrams in Representation of Structure Function
PublicationStructure function, which defines dependency of performance of the system on performance of its components, is a key part of system description in reliability analysis. In this paper, we compare two approaches for representation of the structure function. The first one is based on use of a single Multi-valued Decision Diagram (MDD) and the second on use of a series of MDDs. The obtained results indicate that the series of MDDs...
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Phosphinoborenium cations stabilized by N-heterocyclic carbenes: synthesis, structure, and reactivity
PublicationPhosphinoborenium cations stabilized by N-heterocyclic carbenes (NHCs) were synthesized via the reaction of bromo(phosphino)boranes with NHCs. Their structures were investigated by heteronuclear magnetic resonance spectroscopy, X-ray diffraction, and density functional theory calculations. They possess a planar trigonal boron center directly bonded with the pyramidal phosphanyl group (PR2) and can be treated as cationic phosphinoboranes....
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Impact of AlphaFold on structure prediction of protein complexes: The CASP15‐CAPRI experiment
PublicationWe present the results for CAPRI Round 54, the 5th joint CASP-CAPRI protein assembly prediction challenge. The Round offered 37 targets, including 14 homodimers, 3 homo-trimers, 13 heterodimers including 3 antibody–antigen complexes, and 7 large assemblies. On average 70 CASP and CAPRI predictor groups, including more than 20 automatics servers, submitted models for each target. A total of 21 941 models submitted by these groups...
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Eco-Friendly Ether and Ester-Urethane Prepolymer: Structure, Processing and Properties
PublicationThis study concerns bio-based urethane prepolymers. The relationship between the chemical structure and the thermal and processing parameters of bio-based isocyanate-terminated ether and ester-urethane prepolymers was investigated. Bio-based prepolymers were obtained with the use of bio-monomers such as bio-based diisocyanate, bio-based polyether polyol or polyester polyols. In addition to their composition, the bio-based prepolymers...
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Crystal Structure of N-(2-Benzoyl-4,5-dimethoxyphenethyl)-2-phenylacetamide
PublicationThe crystal structure of N-(2-benzoyl-4,5-dimethoxyphenethyl)-2-phenylacetamide indicates that the compound crystallizes in the monoclinic C2/c space group with eight molecules in the unit cell. The heteroatoms from the amide group form a chain of intermolecular N-H ··· O hydrogen bonds propagating along the b axis. The carbonyl group from the benzoyl substituent participates in short contacts with two H-atoms from the ethyl or...
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Road Safety Observatories within the Structure of Integrated Transport Safety Systems
PublicationAccurate knowledge about the causes, circumstances and place of transport accidents is the prerequisite to take the correct action to improve transport safety. Developing appropriate organizational structures, forms and methods of management and implementation of safety measures in the sectoral approach condition the success. Therefore the Safety Information System is one of the integral areas of the Integrated Transport Safety...
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Structure elucidation of carbamoylo-β-lactam diastereoisomers by ROESY and NOESY experiments
PublicationRecently we have focused in the problem of preparation of carbamoylo-β-lactams as a result of oxidative cyclization of malonyl enamides. In our experiments we obtain mixture of two main β-lactam products: as a result of subsequent elimination and a second as a product of substitution. All of the produced β-lactams have trans configuration what was confirmed by 1H coupling constants. However id should be stressed that in the case...
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Influence of electric power generator structure on frequency control - mathematical modeliling
PublicationPodstawowym celem pakietu ''3x20'' Unii Europejskiej jest zmniejszenie o 20% emisji dwutlenku węgla. Z tego powodu oczekuje się w Polsce rozwoju energetyki wiatrowej, podobnie jak energetyki jądrowej, a także mini elektrociepłowni. Elektrownie wiatrowe i jądrowe wnoszą specyficzne problemy w regulacji automatycznej częstotliwości systemu elektroenergetycznego. farmy wiatrowe wymagają pod tym względem wspomagania przez elektrownie...
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Processing data on sea bottom structure obtained by means of the parametric sounding
PublicationThe aim of the paper is to analyze data obtained during sounding the Gdansk Bay sea bed by means of the parametric echo-sounder. The accuracy of the sea bottom structure investigation needs correct configuration of research equipment and proper calibration of peripheral devices (GPS, heading sensor, MRU-Z motion sensor and navigation instruments which provide necessary data to bathymetrical measurement system, enabling its work...
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Fully Isohexide-Based Polyesters: Synthesis, Characterization, and Structure-Properties Relations
PublicationHere we present a novel series of biobasedpolyesters solely based on renewable isohexide building blocks,synthesized via melt polymerization. The recently developedisoidide dicarboxylic acid (IIDCA) was polymerized with rigidrenewable diols such as isosorbide (IS), isomannide (IM),isoidide (II), and the novel 2,5-methylene-extended isoididedimethanol (IIDML). Both IIDCA and IIDML weredeveloped to increase the reactivity of the...
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The impact of road network structure and mobility on the national traffic fatality rate
PublicationW pracy określono wpływ wybranych miar struktury sieci drogowej i mobilności mieszkańców na wskaźnik śmiertelności w wypadkach drogowych na bazie dostępnych danych z wielu krajów świata. Opracowano wieloczynnikowe modele nieliniowe pozwalające na określenie wpływu wielu istotnych czynników: ekonomicznych, systemowych, motoryzacyjnych i infrastrukturalnych na bezpieczeństwo ruchu drogowego mierzonego wskaźnikiem śmiertelności RFR.
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Roof over PGE Arena in Gdansk. Review of structure and monitoring system
PublicationThis paper presents general structural assumptions of the steel construction designed for a newfootball stadium to be built for UEFA Championship 2012 in the city of Gdańsk. The superstructureis founded directly on the modified abutment. The facade and the roof are collected from 82 steelgirders made of tube profiles. The girders are braced by circular beams and X tension rods. All thiscreates a quasi - dome covered by polycarbonate...
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On the Structure and Volumetric Properties of Solvated Lanthanoid(III) Ions in Amide Solutions
PublicationThe coordination chemistry and the volumetric properties of three representative lanthanoid(III) ions lanthanum-(III), gadolinium(III), and lutetium(III) have been studied in three amide solvents with gradually increasing spatial demand upon coordination: N,N-dimethylformamide (dmf)
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Probabilistic Analysis of Structure Models using Target Random Sampling (TRS)
PublicationThe work presents testing methods of sensitivity and reliability of mechanical or structural systems. All computations concerned the case of Zigler column, a simple model of a compressed column involving two random variables only. A conclusion was drawn that the standard Monte Carlo method, its reduction variants and the response surface method allow to assess the sensitivity of structural response to the variation of random structural...
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Strength analysis of a large-size supporting structure for an offshore wind turbine
PublicationThe offshore wind power industry is the branch of electric energy production from renewable sources which is most intensively developed in EU countries. At present, there is a tendency to install larger-power wind turbines at larger distances from the seashore, on relatively deep waters. Consequently, technological solutions for new supporting structures intended for deeper water regions are undergoing rapid development now. Various...
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Novel structure and design of enhanced-bandwidth hybrid quadrature patch coupler
PublicationA novel structure and design optimization procedure of an enhanced-bandwidth hybrid quadrature patch coupler is proposed. Improved performance of the circuit has been obtained by parameterizing the coupler sections using splines, which introduces additional degrees of freedom. Due to computational complexity of the parameter adjustment problem, a sequential design procedure is applied. In each iteration, a selected number of spline...
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Antimony substituted lanthanum orthoniobate proton conductor – structure and electronic properties.
PublicationX‐ray and neutron diffraction have been utilized to analyze the crystalline and electronic structure of lanthanum orthoniobate substituted by antimony. Using X‐ray absorption spectroscopy and photoelectron spectroscopy, changes in the electronic structure of the material upon substitution have been analyzed. The structural transition temperature between fergusonite and scheelite phases for 30 mol% antimony substitution was found...
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Quality of Service in ASON/GMPLS Network with Hierarchical Control Plane Structure
PublicationThe paper presents the problem of quality of service for hierarchical control plane structure of Automatically Switched Optical Network (ASON) utilizing Generalized Multi-Protocol Label Switching (GMPLS). The approach is implemented to control the multidomain network with required quality of service, in a use case of incomplete domain network information. The authors examine different factors, including resource reservation algorithms...
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Numerical analysis of mechanical properties of an infill structure used in 3D printings
PublicationThe paper presents results of a numerical analysis focused on an identification of mechanical properties of an element created by using Fused Deposition Modelling additive manufacturing technique (FDM). There is presented a description of technology of the 3D printing, numerical model created by using the finite element method (FEM), as well as some problems referred to estimation of the mechanical properties of the printout. The...
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Synthesis and structure of Bi 5 FeTi 3 O 15 ceramics
PublicationAim of the present research was to fabricate and study crystal structure and phase composition of Bi5FeTi3O15 (BTFO) ceramics exhibiting Aurivillius - type structure. By means of simultaneous thermal analysis and X-ray diffraction analysis the process of synthesis of BTFO ceramics has been studied. Mixed oxide method followed by pressureless sintering was used for ceramics preparation. Three endothermic thermal effects have been...
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Photogrammetry image-based approach for imperfect structure modelling and FE analysis
PublicationThis study aims to model and analyse imperfect tructures using real measurements, employing photogrammetry technique commonly used in the geodesy. The study highlights the capability of the photogrammetry in aiding the structural analysis of imperfect engineering objects. Firstly, the photogrammetry measurements of a stiffened plate are carried out using a specially designed for the purpose experimental stand. Then, the plate surface...
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A Molecular dynamics study of the influence of chemical reduction on the structure of amorphous germania
PublicationPraca poświęcona jest badaniom struktury blisko- i średniozasięgowej redukowanego amorficznego tlenku germanu o składzie 1Ge 1GeO2 za pomocą symulacji dynamiczno-molekularnych. Symulacje MD realizowano w zespole mikrokanonicznym (NVE), z wykorzystaniem dwuciałowego potencjału oddziaływania miedzyatomowego Borna-Mayera-Hugginsa. Wyraźnie widoczna tendencja do aglomeracji neutralnych atomów Ge została porównana z tendencją do aglomeracji...
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Blok wytwórczy w hierarchicznej strukturze sterowania U i Q.
PublicationIstotną rolę w procesie regulacji napięć w systemie elektroenergetycznym pełni generator synchroniczny. W referacie przedstawiono wymagania dla układów regulacji generatorów synchronicznych jako elementów hierarchicznej struktury sterowania U i Q.
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The structure of Pb-PbO-SiO2 glass via molecular dynamics simulation
PublicationPraca poświęcona jest badaniom struktury blisko i średniozasięgowej częściowo zredukowanego szkła ołowiowo-krzemianowego o stechiometrii 1Pb1PbO1SiO2 uzyskanego na drodze symulacji dynamiczno-molekularnych. Otrzymane rezultaty porównamy z danymi otrzymanymi dla szkła niemodyfikowanego (2PbO1SiO2) i całkowicie zredukowanego (2Pb1SiO2).
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The structure of porous and spontaneously densified amorphous PbSiO3: a Molecular Dynamics study.
PublicationW pracy zaproponowano nową metodę numerycznego otrzymywania strukturporowatych metodą dynamiki molekularnej. Metoda polega na rozpoczęciu symulacji z ładunkami ekranowanymi i stopniowym zwiększaniu ich do pełnych ładunków jonowych. Metodę zastosowano do układu PbSiO3.
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Research on deformations of laser-welded joint of a steel sandwich structure model.
PublicationPrzedstawiono problemy związane z zachowaniem złącza laserowego pod obciążeniem zginającym. Pokazano wyniki badań laboratoryjnych dla określenia mechanizmu pracy złącza i przedyskutowano uzyskane rezultaty.