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Wyniki wyszukiwania dla: crystal%20structure
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Damaged plasticity model - seismic analysis of structure of the Petronas Twin Towers (Kuala Lumpur) in Malaysia
PublikacjaThe article presents numerical simulations for the modelling of seismic impact on the structure of Petronas Twin Towers (Kuala Lumpur) in Malaysia with application of two methods. The Response Spectrum method, in which a spectrum of the structure's responses to an earthquake's impact is generated and the Acceletogram (BETA) method, in which we generate dynamic load in the form of a diagram of the connection between acceleration...
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Biopolyols obtained via microwave-assisted liquefaction of lignin: structure, rheological, physical and thermal properties
PublikacjaThe 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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DL_MG: A Parallel Multigrid Poisson and Poisson–Boltzmann Solver for Electronic Structure Calculations in Vacuum and Solution
PublikacjaThe solution of the Poisson equation is a crucial step in electronic structure calculations, yielding the electrostatic potential -- a key component of the quantum mechanical Hamiltonian. In recent decades, theoretical advances and increases in computer performance have made it possible to simulate the electronic structure of extended systems in complex environments. This requires the solution of more complicated variants of the...
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Support Product Development Framework by Means of Set of Experience Knowledge Structure (SOEKS) and Decisional DNA
PublikacjaIn this paper, we propose a framework to support product development activi-ties by utilizing Set of Experience Knowledge Structure (SOEKS) and Decisional DNA (DDNA). This idea will provide a new direction to researchers working on product development, especially designers and manufacturers. They will be working on the same platform and this will be reducing their communication gap. Once the final idea is perceived about product...
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Analysis of pavement structure sensitivity to passage of oversized heavy duty vehicle in terms of bearing capacity
PublikacjaOversized heavy duty vehicles occur in traffic very rarely but they reach extremely high weights, even up to 800 tonne. The detrimental impact of these vehicles on pavement structure is much higher than in case of commercial vehicles that comprise typical traffic, thus it is necessary to assess the sensitivity of pavement structure to passage of oversized vehicles. The paper presents results of sample calculations of load equivalency factor...
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Structure-rheology relationship of fully bio-based linear polyester polyols for polyurethanes - Synthesis and investigation
PublikacjaThe synthesis of polyols from renewable substances as an alternative for petrochemical-based polyols play important matter in the polyurethane industry. In this work, the fully bio-based linear polyester polyols with different catalyst amounts were synthesized via two-step polycondensation method. The effect of various catalyst content on the structure and rheological behavior were established. Fourier Transform Infrared Spectroscopy,...
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Electrochemical degradation of textile dyes in a flow reactor: effect of operating conditions and dyes chemical structure
PublikacjaIn 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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Are the short cationic lipopeptides bacterial membrane disruptors? Structure-Activity Relationship and molecular dynamic evaluation
PublikacjaShort cationic lipopeptides are amphiphilic molecules that exhibit antimicrobial activity mainly against Grampositives. These compounds bind to bacterial membranes and disrupt their integrity. Here we examine the structure-activity relation (SAR) of lysine-based lipopeptides, with a prospect to rationally design more active compounds. The presented study aims to explain how antimicrobial activity of lipopeptides is affected by...
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Emplying set of experience knowledge structure and decisional DNA to enhance industrial design: conceptual approach
PublikacjaZaprezentowano 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
PublikacjaPrzedstawiono 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
PublikacjaMagnesium 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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Analysis of the structure of the atomized fuel spray with marine diesel engine injector in the early stage of injection
PublikacjaThis 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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Cobalt(II) and Cobalt(III) Tri‐tert‐butoxysilanethiolates. Synthesis, Properties, Crystal and Molecular Structures of [Co{μ‐SSi(OBut)3}{SSi(OBut)3}(NH3)]2 and [Co{SSi(OBut)3}2(NH3)4][SSi(OBut)3] Complexes
PublikacjaThe heteroleptic neutral tri‐tert‐butoxysilanethiolate of cobalt(II) incorporating ammonia as additional ligand (1) has been prepared by the reaction of a cobalt(II) ammine complex with tri‐tert‐butoxysilanethiol in water. Complex 1, dissolved in hexane, undergoes oxidation in an ammonia saturated atmosphere to the ionic cobalt(III) compound 2. Molecular and...
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Analiza oddziaływań w kryształach związków zawierających w strukturze pierścień pirydynowy
PublikacjaMożliwość tworzenia się wiązań wodorowych jest kluczowym parametrem z punktu widzenia inżynierii kryształu, ponieważ wiązania wodorowe mają bezpośredni wpływ na strukturę oraz trwałość sieci krystalicznej. Głównym celem niniejszej rozprawy doktorskiej była analiza porównawcza wiązań wodorowych występujących w układach, zawierających w strukturze pierścień pirydynowy. Badane układy podzielono na: (1) układy ze związkami krzemosiarkowymi...
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Histaminol and Its Complexes with Copper(II) - Studies in Solid State and Solution
PublikacjaHistaminol [4(5)-(B-hydroxyethyl)imidazole, 4-(1H-imidazol-2-yl)ethanol, L] is an analogue of histamine and its minor metabolite. So far its properties have not been studied in detail due to the synthetic difficulties. Here, the structure and acid-base properties of histaminol, as well as the results of studies on its copper(II) complexes in solid state and aqueous solution are reported. Stability constants of the histaminol–CuII...
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Spin-glass behavior in a binary Pr 3 Ir intermetallic compound
PublikacjaPolycrystalline Pr3Ir was synthesized by arc melting. Its cementite-type crystal structure (Pnma) was confirmed by powder X-ray diffraction and estimated lattice parameters are in agreement with literature. Physical properties were measured by means of the ac and dc magnetic susceptibility, electrical resistivity and heat capacity. Our results indicate spin-glass behavior in Pr3Ir with a freezing temperature Tf = 6.58 K and activation...
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Application of Raman Spectroscopy to Evaluate the Structure Changes of Lubricating Grease Modified with Montmorillonite after Tribological Tests
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Effect of preparation conditions and promoters on the structure and activity of the ammonia decomposition reaction catalyst based on nanocrystalline cobalt
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Microbial Diversity in Deep-Subsurface Hot Brines of Northwest Poland: from Community Structure to Isolate Characteristics
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Structure and electric conductivity of reduced lead-germanate, bismuth-germanate and bismuth-silicate glasses modified with potassium
PublikacjaZbadano 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.
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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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Selected problems of technological preparation of production of a two-segment passenger inland waterways ship of a combined structure
PublikacjaPrzystępując do opracowania założeń do ''Ramowej technologii budowy statku rzecznego'', którego projekt powstaje w ramach zadania INCOWATRANS natknięto się na szereg problemów wynikających z odmienności i prototypowości analizowanego statku. Statek rzeczny to składajacy się z dwóch autonomicznych jednostek zespół pływający. Konstrukcja każdej z wymienionych jednostek jest konstrukcją mieszaną tj. składa się z części o konstrukcji...
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Synthesis, chemical structure and properties of cross-linked poly(esterourethanes) based on unsaturated oligo(alkyleneester)diols
PublikacjaW pracy przedstawiono wyniki badań struktury chemicznej i właściwości nienasyconych oligo(alkilenoestro)dioli oraz syntetyzowanych z ich udziałem poli(estrouretanów). Strukturę oligomeroli oraz poliuretanów ustalono w oparciu o wyniki badań FTIR, NMR, analizę elementarną. Właściwości poli(estrouretanów) określono przez pomiary stabilności termicznej, analizę termomechaniczną oraz obliczenia ciężaru cząsteczkowego łańcuchów polimerowych...
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Structure-activity relationship study of tetrapeptide inhibitors of the Vascular Endothelial Growth Factor A binding to Neuropilin-1
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Structure–property relationships and third-order nonlinearities in diketopyrrolopyrrole based D–π–A–π–D molecules
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Numerical Verification of Tests on the Influence of the Imposed Thermal Cycles on the Structure and Properties of the S700MC Heat-Affected Zone
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Synthesis and electrode properties of 19-membered azo- and azoxycrown ethers. Structure of dibenzo-19-azocrown-7
PublikacjaW artykule opisano syntezę 19-członowych azo i azoksykoron oraz strukturę dibenzo-19-azokorony-7. Przedstawiono badania elektrodowe niektórych otrzymanych związków. Stwierdzono, że związki są czułe na jony talu (I).
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Effects of Urea and Trimethylamine-N-oxide on the Properties of Water and the Secondary Structure of Hen Egg White Lysozyme
PublikacjaW celu określenia sposobu hydratacji mocznika i N-tlenku trimetyloaminy, wykorzystano spektroskopię oscylacyjną FTIR. Dane eksperymentalne, otrzymane z pomiarów widm oscylacyjnych wody półciężkiej (HDO) rozcieńczonej izotopowo w wodnych roztworach badanych związków, analizowane były za pomocą "metody widm różnicowych". Strukturalno-energetyczna charakterystyka wody zaburzonej przez cząsteczki osmolitów wskazuje, że woda zaburzona...
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Structure and electrical properties of ceramic proton conductors obtained with molten-salt and solid-state synthesis methods
PublikacjaPublikacja omawia wyniki badań niobanu lantanu domieszkowanego akceptorowo pod kątem właściwości elektrycznych i strukturalnych.
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The effect of a polyharmonic structure of the perturbation signal on the results of harmonic analysis of the current of a first-order electrode reaction
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Three-dimensional structure of wave-induced momentum flux in irrotational waves in combined shoaling-refraction conditions
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<title>Fiber-optic low-coherence tomography system for visualization of internal structure of ceramic materials</title>
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Effect of Electron Beam Power Density on the Structure of Titanium Under Non-Vacuum Electron-Beam Treatment
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The effect of long-term service at elevated temperatures on structure and mechanical properties of Cr-Mo-V steel
PublikacjaPurpose: of this paper is to reveal the microstructural changes in 13HMF steel exposed to long-term service at elevated temperatures. The degradation of bainite structure was determined and carbides morphology has been examined. The influence of carbides evolution was discussed in dependence of creep rupture strength and mechanical properties of the steel.
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Structure and electrochemical behaviour of 4,7-diazaheptyl-trimethoxy-silane and vinyl-trialkoxy-silane adsorbed at silver surface
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How the “Liquid Drop” Approach Could Be Efficiently Applied for Quantitative Structure–Property Relationship Modeling of Nanofluids
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Cement-based composites with waste expanded perlite - Structure, mechanical properties and durability in chloride and sulphate environments
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Designing RBFNs Structure Using Similarity-Based and Kernel-Based Fuzzy C-Means Clustering Algorithms
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Analysis of cost structure of international road transport operators in West Pomeranian voivodship in the years 2008-2014
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PAID-PL—The Polish Version of the Problem Areas in Diabetes Scale: Perfect Reliability and a One-Factor Structure
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Combining the MARTINI and Structure-Based Coarse-Grained Approaches for the Molecular Dynamics Studies of Conformational Transitions in Proteins
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Interconnected nanoporous carbon structure delivering enhanced mass transport and conductivity toward exceptional performance in supercapacitor
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Designing of an effective structure of system for the maintenance of a technical object with the using information from an artificial neural network
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Design of serine proteinase inhibitors by combinatorial chemistry using trypsin inhibitor SFTI‐1 as a starting structure
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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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Structure–activity relationships study on biological activity of peptides as dipeptidyl peptidase IV inhibitors by chemometric modeling
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Design, synthesis and structure–activity relationships of novel phenylalanine-based amino acids as kainate receptors ligands
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TiCoCrFeMn (BCC + C14) High-Entropy Alloy Multiphase Structure Analysis Based on the Theory of Molecular Orbitals
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