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Search results for: STRUCTURE-PROPERTY RELATIONSHIPS
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Structure of the twist-bend nematic phase with respect to the orientational molecular order of the thioether-linked dimers
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Investigations of changes in the arabinogalactan proteins (AGPs) structure, size and composition during the fruit ripening process
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RNS reverse high-speed converter with quasi-regular structure based on the Chinese Remainder Theorem
PublicationPrzedstawiono dwie nowe architektury szybkiego konwertera z systemuresztowego do systemu binarnego oparte o chińskie tw. o resztach. Zastosowano nowe struktury 4-operandowych sumatorów modulo 2M. Pierwsza ze struktur oparta jest o wstępne sumowanie najstarszych bitów wektorów sumy i przeniesienia na wyjściu sumatora CSA, natomiast druga o bezpośrednie wykrywanie przekroczenia 2M. Konwerter wykorzystujący drugą ze struktur charakteryzuje...
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Why set of experience knowledge structure can be considered a knowledge representattion for formal decision events?
PublicationOmówiono zasady reprezentacji wiedzy przy pomocy zbioru dośwadczeń. Uzasadniono wybór takiej reprezentacji na tle badańliteraturowych.
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Structure of partially reduced xPbO (1-x)SiO2 glasses: combined EXAFS and MD study
PublicationWykorzystując połączenie metody EXAFS (extended X-ray absorption finestructure) i symulacji MD (molecular dynamics) zbadano strukturęczęściowo zredukowanych szkieł ołowiowo-krzemianowych o różnejstechiometrii wyjściowej. W wyniku analizy uzyskano szczegółowyopis struktury lokalnej wokół atomów ołowiu i jej zmiany w funkcjiskładu szkła i poziomu redukcji. Określono również jaką tendencjędo aglomeracji w metaliczne klastry wykazują...
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Cubane Like Structure of a Silanethiol Primary Amine Assembly a Novel, Unusual Hydrogen Bond Pattern.
PublicationMetodą rentgenowskiej analizy strukturalnej wyznaczono struktury krystaliczne i cząsteczkowe trzech soli amoniowych: (t-BuO)3SiS(-)H3N(+)Bu-t, (i-PrO)3SiS(-)H3N(+)Bu-t i (t-BuO)3SiS(-)H3N(+)(CH2)2CH(CH3)2. Wszystkie trzy związki w ciele stałym tworzą tetramery w których atomy S i N wyznaczają w przybliżeniu naroża sześcianu. Trwałość tych agregatów, oprócz sił elektrostatycznego przyciągania, zapewnia sieć wiązań wodorowych N-H
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An algorithm for preliminary estimating hull structure mass and mass centre height of inland navigation ships
PublicationPrzedstawiono algorytm obliczeniowy służący do wstępnego wyznaczania masy i wysokości środka ciężkości konstrukcji kadłuba statków śródlądowych. Algorytm opracowano opierając się na zaleceniach zawartych w Przepisach Klasyfikacji i Budowy Statków Śródlądowych PRS oraz zastosowano uproszczoną metodę wyznaczania mas usztywnień poszycia kadłuba. Algorytm dotyczy wymiarowania konstrukcji klasycznych statków służących do przewozu drobnicy,...
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Preparation, Structure and Catalytic Activity of Pt–Pd Bimetallic Nanoparticles on Multi-Walled Carbon Nanotubes
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Band structure, Born effective charges, and lattice dynamics of CuInS2 from ab initio calculations
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Structure of high-resolution Kβ1,3 x-ray emission spectra for the elements from Ca to Ge
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Operational Analysis of Fire Alarm Systems with a Focused, Dispersed and Mixed Structure in Critical Infrastructure Buildings
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Structure, thermal and mechanical properties of copoly(ester amide)s based on 2,5‐furandicarboxylic acid
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Revised structure of the repeating unit of the O-specific polysaccharide from Azospirillum lipoferum strain SpBr17
PublicationO-polisacharyd otrzymany poprzez delikatną kwasową hydrolizę lipopolisacharydu wyizolowanego z Azospirillum lipoferum SpBr17 był badany metodami spektroskopii NMR jak również metodą analizy metylacyjnej połączonej z elektroforezą SDS-PAGE. Stwierdzono, że nie jest on liniowym homopolimerem złożonym wyłącznie z (1->3) [alfa]-glikozydowo połączonych cząsteczek L-ramnopiranozy (jak proponowano wcześniej) lecz sekwencją kolejnych bloków...
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Structure and thermoelectric properties of Bi–Te alloys obtained by novel method of oxide substrates reduction
PublicationA novel method of thermoelectric materials fabrication has been developed. Oxide reagents have been melted at high temperature in air, quenched, milled to powder and reduced in hydrogen to form Bi–Te alloys. Structural and thermoelectric properties of samples have been investigated depending on initial composition and temperature of reduction process. Sample 25Bi2O3–75TeO2 reduced at 340 °C for 10 h has been found to be a p-type...
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Emplying set of experience knowledge structure and decisional DNA to enhance industrial design: conceptual approach
PublicationZaprezentowano koncepcje wspomagania projektowania przemyslowego przy pomocy nowoczenego podejscia do reprezentacji wiedzy w postaci SOEKS oraz Decyzyjnego DNA
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Enhancing set of experiance knowledge structure (SOEKS) with w nearest neighbour algorithm Relief-F
PublicationPrzedstawiono koncepcje uzupelnienia i wpsomagania struktury wiedzy opartej na SOEKS przy pomocy algorytmu przypisujacego wagi atrybutow.
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Hunting for the Magnesium(I) Species: Formation, Structure, andReactivity of some Donor-Free Grignard Compounds
PublicationMagnesium bromide radicals have to be prepared as high-temperature molecules and trapped as a metastable solution because a seemingly simple reduction of donor-free Grignard compounds failed. However, the essential role of magnesium(I) species during the formation of Grignard compounds could be demonstrated experimentally.
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Structure and electrochemical reactivity of 3-[tris(2-methoxyethoxy)silyl]-propanethiol adsorbed on silver surface
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Irreversible alterations in the hemoglobin structure affect oxygen binding in human packed red blood cells
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The Effect of Fertilization on the Structure of the Aboveground Biomass of Several Cultivars of Jerusalem Artichoke (Helianthus tuberosus L.)
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Effect of bio-polyol molecular weight on the structure and properties of polyurethane-polyisocyanurate (PUR-PIR) foams
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Core/Shell Structure of Mesoporous Carbon Spheres and g-C3N4 for Acid Red 18 Decolorization
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Insight into the influence of polymer topological structure on the exfoliation of clay in polystyrene matrix via annealing process
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New uranium(vi) and isothiouronium complexes: synthesis, crystal structure, spectroscopic characterization and a DFT study
PublicationThe crystal structures of S,S′-2,5-dimethylbenzene-1,4-diylbis(methylisothiouronium) diacetate (1_ac), S,S′-2,5-dimethylbenzene-1,4-diylbis(methylisothiouronium) dichloride (1_Cl), 1_U complex, S,S′-naphthalene-1,4-diylbis(methylisothiouronium) dichloride (2_Cl), and 2_U complex were determined for the first time. The supramolecular structures of the compounds obtained are mainly based on hydrogen bonding and ionic interactions...
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The effect of morphology and crystalline structure of Mo/MoO3 layers on photocatalytic degradation of water organic pollutants
PublicationMolybdenum oxide layers were formed by anodization of the Mo metallic foil in a water/ethylene glycol-based electrolyte containing fluoride ions. The as-prepared, amorphous samples were annealed in air at different temperatures in a range from 100 �C to 700 �C. The crystal phase and morphology of anodized and annealed MoO3 layers were investigated using X-ray diffraction, Raman spectroscopy, and scanning electron microscopy. The...
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Microcrystalline Cellulose Management in the Production of Poly(ether-urethane)s- Structure, Morphology, and Thermal Characteristic
PublicationIn response to the demand of polymer industry for reducing the use of synthetic chemicals, eco-friendly materials are investigated. In the presented study, bio-based poly(ether-urethane)s were prepared by using microcrystalline cellulose (MCC) and polyether polyol and 1,3-propanediol derived from corn sugar. A step towards sustainability was taken by incorporating bio-based compounds and cellulose, consequently, bio-waste are utilized...
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Eu3+ doped tellurite glass ceramics containing SrF2 nanocrystals: Preparation, structure and luminescence properties
PublicationEu3+ doped tellurite glass ceramics containing SrF2 nanocrystals were prepared using melt quenching technique and subsequent heat treatment of glass in 370 °C for different time periods. Thermal properties of glass matrix have been determined based on DSC measurements. XRD and XPS results confirmed formation of SrF2 nanocrystals in glass matrices after annealing at 370 °C. FTIR studies revealed absorption bands in the range of...
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Biopolyols obtained via microwave-assisted liquefaction of lignin: structure, rheological, physical and thermal properties
PublicationThe present study examined the application of polyols obtained via microwave-assisted liquefaction of lignin in the production of rigid polyurethane foam. Lignin was liquefed in crude glycerol and 1,4-butanediol at diferent temperatures (130–170 °C), without a catalyst and using various biomass concentrations (15 and 30 wt%). The physicochemical properties, process yield, and FTIR-based identifcation of the obtained polyols were...
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Elucidating the impact of enzymatic modifications on the structure, properties, and applications of cellulose, chitosan, starch and their derivatives: a review
PublicationPolysaccharides, as one of the most prominent natural biopolymers, display numerous biological activities and industrial applications. Nevertheless, some polysaccharides lack biological properties or display weak biological activities. Besides, practical usages of polysaccharides still remain challenging because of their poor solubility and inappropriate hydrophilic/hydrophobic balance. Hence, enzymatic or chemical modifications...
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Computer-Aided Greenery Design—Prototype Green Structure Improving Human Health in Urban Ecosystem
PublicationIncreasing population and urbanization, with climate change consequences, such as rising temperatures, influence public health and well-being. The search to improve the quality of life in cities becomes one of the priority objectives. A solution can be found in the role of greenery in an urban environment and its impact on human health. This opens a path toward experimentation on microclimate green structures that can be inserted...
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Analysis of the structure of the atomized fuel spray with marine diesel engine injector in the early stage of injection
PublicationThis paper presents the results of the experimental research of the atomized fuel spray with the marine diesel engine injector in the constant volume chamber. The specificity of the phenomena occurring in the marine engine cylinder was the reason to use the optical visualisation method in the studies – the Mie scattering technique. This work presents an analysis of the influence of different geometry of outlet orifice and opening...
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Electrochemical degradation of textile dyes in a flow reactor: effect of operating conditions and dyes chemical structure
PublicationIn this study, electrochemical oxidation of five azo dyestuffs (Yellow D-5GN, Red D-B8, Ruby F-2B, Blue D-5RN, Black DN), that are widely used in the textile industry, was investigated in a flow reactor. BDD electrode with a high boron doping level (C/B = 10 000) was prepared and used. Two configurations of reactor were considered, i.e., one with the undivided cell, and the other with the cell divided by anodic and cathodic compartments....
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Assessment of technical condition and repair of steel structure elements on the example of fire damage in a warehouse building
PublicationThe paper analyses a case study on the structural assessment of warehouse building partially damaged by fire caused by external source (fire of lorries close to the building). The authors focus on the site investigations and laboratory test results prior to assessing actual condition of the structural elements. Both strengthening concept and repair procedure of a steel column are addressed here. A short literature survey in the...
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Improvements and new functionalities of UNRES server for coarse-grained modeling of protein structure, dynamics, and interactions
PublicationIn this paper we report the improvements and extensions of the UNRES server (https://unres-server.chem.ug.edu.pl) for physics-based simulations with the coarse-grained UNRES model of polypeptide chains. The improvements include the replacement of the old code with the recently optimized one and adding the recent scale-consistent variant of the UNRES force field, which performs better in the modeling of proteins with the β and the...
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Modal Adjustment of Rayleigh Based Structural Damping and Coordinate-Partitioning Algorithm Dedicated to Frictionless Contact Constraints between Multibody System and Structure Modelled with Finite Elements
PublicationThe paper presents a dedicated numerical algorithm. The algorithm is advantageous during investigations of the dynamics of a hybrid multibody / finite-elements system. We focus our attention on interactions resulting from mechanical contact. Pointwise contact connects a vertex of the multibody structure and a surface of the elastic reference body. Instead of a positive value of the relative penetration factor, constraint equations...
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The structure of strontium–borate glass-ceramics containing crystalites of Bi2VO5.5. measured with X-ray diffraction and SEM methods
Open Research DataThe structure of strontium–borate glass-ceramics containing Bi2VO5.5 crystallites was measured by XRD and SEM.
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Młode Miasto 2.0 - współczesne zagadnienia miejskiej transformacji
PublicationArtykuł stanowi podsumowanie konferencji pod tym samym tytułem, jaka odbyła się w kwietniu 2016r. w Gdańsku.
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Katarzyna Merkel dr hab.
PeopleOver the past 15 years, my work has mainly been related to the study of liquid crystal compounds with a diverse structure (discotic, dendrimeric, banana, bimedogenic, uniaxial and biaxial nematics and smectics) as well as polymeric materials (biopolymers, nano-composites) and biological materials. My work concerned mainly the issues of organization, observation of orientation effects, studying the dynamics of molecular processes...
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Morphology and structure of V2O5 nanorods deposited on the silicon substrate after reduction
Open Research DataThe DataSet contains the XRD patterns and SEM micrographs of V2O5 nanorods on the silicon substrate after thermal treatment under a reducing atmosphere. Thin films were annealed at 500C for 40 under a reducing atmosphere (94% Ar, 6% H2).
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ESCASA : Analytical estimation of atomic coordinates from coarse‐grained geometry for nuclear‐magnetic‐resonance ‐assisted protein structure modeling. I. Backbone and Hβ protons
PublicationA method for the estimation of coordinates of atoms in proteins from coarse-grained geometry by simple analytical formulas (ESCASA), for use in nuclear-magnetic-resonance (NMR) data-assisted coarse-grained simulations of proteins is proposed. In this paper, the formulas for the backbone Hα and amide (HN) protons, and the side-chain Hβ protons, given the Cα-trace, have been derived and parameterized, by using the interproton distances...
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The structure of strontium–borate glasses and glass-ceramics containing bismuth and vanadium oxides measured with X-ray diffraction method
Open Research DataThe structure of strontium–borate glasses and glass-ceramics containing bismuth and vanadium oxides was measured by XRD.
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Negative Poisson’s ratio from pentagons: A new auxetic structure combining three different auxetic mechanisms
PublicationA novel class of two-dimensional auxetic structures based on the pentagon motif is proposed. Their mechanical properties are investigated by combining molecular mechanics simulations with a simple three-parameter mechanical model which assumes perfectly elastic behavior. It is predicted that the proposed structures – termed as double re-entrant honeycomb – may possess unique mechanical characteristics, which include complete and...
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Sulfonamides with hydroxyphenyl moiety: Synthesis, structure, physicochemical properties, and ability to form complexes with Rh(III) ion
PublicationSulfonamides are the first successfully synthesized antimicrobial drugs. The mechanism of sulfonamides’ antimicrobial action involves competitive inhibition of folic acid synthesis and prevention of the growth and reproduction of bacteria. Even though they have been applied in therapy for more than 75 years, sulfonamides are still the drugs of choice for the treatment of various diseases. The aim of this work was to synthesize...
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Interfaces with Structure Dynamics of the Workhorses from Cells Revealed through Cross-Linking Mass Spectrometry (CLMS)
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Scale-consistent approach to the derivation of coarse-grained force fields for simulating structure, dynamics, and thermodynamics of biopolymers
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Structure determination of UL49.5 transmembrane protein from bovine herpesvirus 1 by NMR spectroscopy and molecular dynamics
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Crystal Structure, Hydration, and Two-Fold/Single-Fold Diffusion Kinetics in Proton-Conducting Ba0.9La0.1Zr0.25Sn0.25In0.5O3−a Oxide
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<title>Structure and state visualization system for BAC detector electronics in ZEUS experiment of HERA accelerator</title>
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Control of Luminescence by Tuning of Crystal Symmetry and Local Structure in Mn4+ -Activated Narrow Band Fluoride Phosphors
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Structure and electric conductivity of reduced lead-germanate, bismuth-germanate and bismuth-silicate glasses modified with potassium
PublicationZbadano szkła germanianowo-ołowiowe i krzemianowo+bizmutowe. Warstwy metalicznych granul wytwarzano w nich poprzez redukcję powierzchni w atmosferze wodoru. Praca dotyczy wpływu potasu na właściwości szkła. Przeprowadzono badania metodami mikroskopii sił atomowych, DSC oraz pomiary przewodności elektrycznej. Stwierdzono, że obecność potasu poprawia mechaniczne i technologiczne właściwości szkła.