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Search results for: STRUKTURY SUPRAMOLEKULARNE
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Cross-sectional imaging of materials structure using PS-OCT
PublicationOptical low-coherence tomography is a measurement technique for non-contact and non-destructive investigation of materials inner structure. Nowadays, this method is highly applied in medical treatment especially in dermatology and ophthalmology. During our research we have developed an optical low-coherence tomography system with polarization state analysis for structure examination of a broad range of technical materials. In this...
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Reconstruction of 3D structure of positive corona streamer by local methods
PublicationThe computer algorithms were used for reconstruction of streamer 3D structure. We propose the 3D tree structure model of corona discharge streamer composed with nodes and edges between chosen couples of nodes, which enables easy computation of some important parameters ofstreamers. The 3D model can be derived directly from two projection images by global methods like evolutionary searching or particle simulations. In this paper...
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Assessment of chemical‐crosslink‐assisted protein structure modeling in CASP13
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Quantitative structure-(chromatographic) retention relationship models for dissociating compounds
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Hydrothermal, microwave and mechanochemical modification of amorphous zirconium phosphate structure
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Modification of Tin Phosphate Nanoporous Structure under Hydrothermal Conditions
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Analysis of structure and properties of DVB–GMA based porous polymers
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Membrane structure and interactions of peptide hormones with model lipid bilayers
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Modelling and analysis of beam/bar structure by application of bond graphs
PublicationThe paper presents an uniform, port-based approach to modelling of beam/bar systems (trusses). Port-based model of such distributed parameter system has been defined by application of the bond graph methodology and the distributed transfer function method (DTFM). The proposed method of modelling enables to formulate input data for computer analysis by application of the DTFM. The constructed computational package enables the frequency...
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The electronic structure of p-xylylene and its reactivity with vinyl molecules
PublicationThe electronic states of p-xylylene molecule were described at the multi-configurational CASSCF/MRMP2 level of theory. The closed-shell singlet state representing the quinoidal p-xylylene molecule was pre-dicted to be the ground electronic state whereas the triplet (benzoidal) and the singlet open-shell states were found to be much higher in energy (by 159 and 423 kJ/mol, respectively, as found at the CASSCF(8,8)/6-31+G(d) level)....
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Formation of Porous Structure of the Metallic Materials Used on Bone Implants
PublicationResearch on improvement of structure and fabrication methods of the bone implants are carried out for many years. Research are aimed to shape the structures, that will have a Young's modulus value similar to the value of the human bones Young's modulus. Depending on theporosity, Young's moduli can even be tailored to match the modulus of bone closer than solid metals can, thus reducing the problems associated with stress shielding...
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Symmetrical and unsymmetrical azomethines with thiophene core: structure–properties investigations
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Polymerization and Structure of Opposing Polymer Brushes Studied by Computer Simulations
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Quality Structure of the Noctuidae Family in Selected Habitats of the Agricultural Landscape
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Tuning the sumanene receptor structure towards the development of potentiometric sensors
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Temperature-induced changes of HtrA2(Omi) protease activity and structure
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An Analysis of Elliptical-Rectangular Patch Structure on Multilayer Elliptic Cylinders
PublicationThe resonance frequency problem of an ellipticalrectangular patch mounted on multilayered dielectric coated elliptic conducting cylinder, is investigated in this paper. A fullwave analysis and a moment-method calculation are employed. The analysis is carried out considering the expansion of the field as a series of Mathieu functions. An additional theorem for Mathieu functions is utilized to investigate the non-confocal ellipse...
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Transition Metal Oxides influence on phosphate and borate glasses structure
PublicationBorate and phosphate glasses possess many potential luminescence and optical applications. With their low melting point, they are one of the most often studied amorphous materials. In recent years these glasses, doped with transition metal oxides (TMO), gained much attention due to their tunable structural and thermal properties. Review of systems containing TMOs was presented. Additionally synthesis of binary MnO-P2O5 and MnO-B2O3...
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Fentanyl Structure as a Scaffold for Opioid/Non-Opioid Multitarget Analgesics
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Human adenylate kinases – classification, structure, physiological and pathological importance
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Coupling coefficients for the space group of the hexagonal close-packed structure
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Magnetic structure and properties of theS=5∕2triangular antiferromagnetα−NaFeO2
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Energy Level Structure of Bi3+ in Zircon and Scheelite Polymorphs of YVO4
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Pasta Fortified with Potato Juice: Structure, Quality, and Consumer Acceptance
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Dendrimer Structure Diversity and Tailorability as a Way to Fight Infectious Diseases
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Finely comminuted frankfurters fortified with potato juice – Quality and structure
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Controlled Drug Release by the Pore Structure in Polydimethylsiloxane Transdermal Patches
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Research Progress and Knowledge Structure of Inclusive Growth: A Bibliometric Analysis
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Tests of local strains in steel laser - welded sandwich structure
PublicationW publikacji zaprezentowano rezultaty badań odkształceń w strefie spoiny laserowej konstrukcji sandwich. Pokazano obiekt badań, metodykę i oprzyrządowanie oraz proces rejestracji. Przedstawiono uzyskane wyniki i wnioski z nich wypływające.
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FEM strength analysis of sandwich panels for ship structure applications
PublicationW publikacji zaprezentowano wyniki analizy numerycznej stalowego panelu sandwich obciążonego siłami ściskającymi wzdłuż laserowo spawanych usztywnień. Przedstawiono sposób modelowania, pokazano i przedyskutowano uzyskane rezultaty.
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Influence of Glycols on the Glycolysis Process and the Structure and Properties of Polyurethane Elastomers
PublicationW pracy omówiono wyniki badań elastomerów wytworzonych z glikolizatów poddanych dezaminacji. Glikolizaty otrzymywano w procesie transestryfikacji polieterouretanów glikolami: propano-1,3-diolem, pentano-1,5-diolem oraz heksano-1,6-diolem. Procesy prowadzono przy trzech stosunkach masowych pianki:glikolu.
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Changes in the structure of Armenia’s labour resources between 1993 and 2020
PublicationThe article characterises the structure of Armenia’s labour resources in the period between1993 and 2020. It aims to assess the changes on the Armenian labour market by means of a deductive analysis of historical data and observation of changes in the structure of resources based on generally available macroeconomic data. The authors evaluate these processes against the background of demographic and economic changes, by presenting...
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Założenia pierścieniowe w strukturze urbanistycznej miast współczesnej Polski
PublicationTematem rozprawy jest fenomen założeń pierścieniowych, będących charakterystycznym elementem struktury urbanistycznej wielu miast współczesnej Polski. W ramach rozprawy zarysowano szerszy kontekst historyczny i teoretyczny kreacji założeń pierścieniowych, szczególnie wschodnich miast granicznych niemieckojęzycznej Europy Środkowej tzw. długiego xix wieku, procesu ich defortyfikacji oraz związanej z nim ewolucji teorii i praktyki...
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Clinical anatomy of the spatial structure of the right ventricular outflow trac
PublicationBackground. The right ventricular outflow tract (RVOT) is located above the supraventricular crest and reaches the level of the pulmonary valve. Detailed knowledge of the RVOT spatial structure and its morphology is extremely important for cardiac invasive therapeutic procedures. Objectives. To examine the spatial structure of the RVOT using virtual models of the right ventricle (RV) interior obtained post mortem. Material and...
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Modeling the Structure, Dynamics, and Transformations of Proteins with the UNRES Force Field
PublicationThe physics-based united-residue (UNRES) model of proteins ( www.unres.pl ) has been designed to carry out large-scale simulations of protein folding. The force field has been derived and parameterized based on the principles of statistical-mechanics, which makes it independent of structural databases and applicable to treat nonstandard situations such as, proteins that contain D-amino-acid residues. Powered by Langevin dynamics...
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Structure and transport properties of donor-doped barium strontium cobaltites
PublicationIn this work, Nb-substituted barium strontium cobaltites Ba0.5Sr0.5Co1-xNbxO3-δ (x = 0 – 0.4) have been fabricated and studied. The structural analysis showed that the Nb content influences the lattice constant as well as the distance between the (Co, Nb) and oxygen atoms. The study of morphology of samples showed that the Nb content does not change the porosity, grain size and morphology of the ceramics. The total electrical conductivity...
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THE INFLUENCE OF THE TYPE SOLVENT ON THE STRUCTURE OF CHITOSAN BLENDS WITH HYALURONIC ACID
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Physical properties and electronic structure of La3Co and La3Ni intermetallic superconductors
PublicationLa3Co and La3Ni are reported superconductors with transition temperatures of 4.5 and 6 K, respectively. Here, we reinvestigate the physical properties of these two intermetallic compounds with magnetic susceptibility χ, specific heat Cp and electrical resistivity ρ measurements down to 1.9 K. Although bulk superconductivity is confirmed in La3Co, as observed previously, only a trace of it is found in La3Ni, indicating that the...
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Thyroid Peroxidase as an Autoantigen in Hashimoto’s Disease: Structure, Function, and Antigenicity
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Temperature-dependent structure-property modeling of viscosity for ionic liquids
PublicationIn this paper we present the methodology for assessing the ionic liquids' viscosity at six temperature points (25, 35, 45, 50, 60 and 70 [C]), which utilizes only the in silico approach. The main idea of such assessment is based on the "correction equation" describing the correlation between experimentally measured viscosity and theoretically derived density (calculated with use of molecular mechanics), given at 6 different temperature...
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Influence of processing conditions on crystal structure of BiNbO 4 ceramics
PublicationBismuth niobate (BiNbO4) has attracted attention as a low-fired ceramics with promising microwave application potential. It belongs to the bismutocolumbite oxides with similarly to scheelite-like stibiotantalite structure (SbTaO4) A3+B5+O4. Aim of the present research was to fabricate BiNbO4 ceramics by solid state reaction route from the mixture of simple oxides viz. Bi2O3, and Nb2O5, and study its phase composition as well as...
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Amyloid fibril formation in the presence of water structure-affecting solutes
PublicationThe 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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Effects of V2O5 Additive on Structure and Dielectric Properties of BiNbO4 Ceramics
PublicationGoal of the present research was to investigate the influence of V2O5 additive on the structure and dielectric properties of BiNbO4 ceramics. To fabricate BiNbO4 ceramics with V2O5 added the solid state reaction route and pressureless sintering was utilized. Thus obtained ceramics was characterized in terms of its microstructure (SEM), chemical composition (EDS), phase composition and crystalline structure (X-ray phase and structural...
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Crystal structure and physical properties of a novel ternary compound La15MoxGe9
PublicationWe present the synthesis, structural characterization and physical properties measurements of a new compound, La15MoxGe9 in Mn5Si3-type derived structure with interstitial Mo. The sample was synthesized by arc-melting method. La15MoxGe9 crystallizes in non-centrosymmetric hexagonal structure P63mc (#186) with lattice parameters a = b = 15.495(5) Å and c = 6.917(2) Å. The refinement on single X-ray diffraction data show that interstitial...
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Growth, Crystal Structure and Magnetic Characterization of Zn-Stabilized CePtIn4
PublicationThe growth and characterization of CePtIn4, stabilized by 10% Zn substitution for In, is reported. The new material is orthorhombic, space group Cmcm (No. 63), with lattice parameters a = 4.51751(4) Å, b = 16.7570(2) Å, and c = 7.36682(8) Å, and the refined crystal composition has 10% of Zn substituted for In, i.e., the crystals are CePt(In0.9Zn0.1)4. Crystals were grown using a self-flux method: only growths containing Zn yielded...
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Electronic structure and time-dependent description of rotational predissociation of LiH
PublicationThe adiabatic potential energy curves of the ^1Sigma+ and ^1Pi states of the LiH molecule were calculated. They correlate asymptotically to atomic states, such as 2s + 1s, 2p + 1s, 3s + 1s, 3p + 1s, 3d + 1s, 4s + 1s, 4p + 1s and 4d + 1s. A very good agreement was found between our calculated spectroscopic parameters and the experimental ones. The dynamics of the rotational predissociation process of the 1^1Pi state were studied...
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Electronic structure and rovibrational predissociation of the 2^1Π state in KLi
PublicationAdiabatic potential energy curves of the 3^1Σ^+, 3^3Σ^+, 2^1Π and 2^3Π states correlating for large internuclear distance with the K(4s) + Li(2p) atomic asymptote were calculated. Very good agreement between the calculated and the experimental curve of the 2^1Π state allowed for a reliable description of the dissociation process through a small (∼20 cm−1 for J = 0) potential energy barrier. The barrier supports several rovibrational...
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Au–Si plasmonic platforms: synthesis, structure and FDTD simulations
PublicationPlasmonic platforms based on Au nanostructures have been successfully synthesized by directional solidification of a eutectic from Au and the substrate. In order to determine homogeneous shape and space distribution, the influence of annealing conditions and the initial thickness of the Au film on the nanostructures was analyzed. For the surface morphology studies, SEM and AFM measurements were performed. The structure of platforms...
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DYNAMIC RESPONSE OF FORUM GDANSK STRUCTURE DUE TO RAIL TRAFFIC
PublicationThe paper presents the study of the impact of vibration induced by the movement of the railway rolling stock on the Forum Gdańsk structure. This object is currently under construction and is located over the railway tracks in the vicinity of the Gdańsk Główny and Gdańsk Śródmieście railway stations. The analysis covers the influence of vibrations on the structure itself and on the people within. The in situ measurements on existing...
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Effect of Different Structure Type Traffic On Railway Line Capacity
PublicationThe article points to methods of analyzing railway traffic conditions based on two parameters: capacity and delay of trains. The impact of the differentiated railway type structure on the capacity of the railway line was presented. Particular attention has been paid to the assessment of commonly used simplifications in analyzes.