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Wyniki wyszukiwania dla: STRUKTURA PRETOWA
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Structural properties of hydration shell around various conformations of simple polypeptides
PublikacjaIn this paper we investigate structural properties of water within the solvation shell around the peptide core created by a well-defined conformation of polypeptide chain. The following secondary structures are investigated: linear (straight chain), and three helices PII (polyproline-like), 310, and α. We propose using the two-particle contribution to entropy as a rational measure of the water structural ordering within the solvation...
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Deltorphin analogs restricted via a urea bridge: structure and opioid activity
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Simulation of Protein Structure and Dynamics with the Coarse-Grained UNRES Force Field
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Structural Model of the Bilitranslocase Transmembrane Domain Supported by NMR and FRET Data
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Deltorphin analogs restricted via a urea bridge: structure and opioid activity
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Conformation-family Monte Carlo: A new method for crystal structure prediction
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Optimal Shape Refurbishment of Distorted Dome Structure with Safeguarding of Member Stress
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Structural, thermal and photocatalytic properties of composite materials SiO2/TiO2/C
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Committee of Electronics and Telecommunications Polish Academy of Sciences Structure – Activities – Perspectives
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Impact force spectrum for damage assessment of earthquake-induced structural pounding
PublikacjaCelem artykułu jest zastosowanie spektrum siły zderzenia do szacowania zniszczeń powstałych na skutek zderzeń pomiędzy konstrukcjami budowlanymi, do których dochodzi podczas trzęsień ziemi. Wyniki analizy wskazują, iż spektrum takie może być przydatnym narzędziem przy projektowaniu konstrukcji podatnych na zderzenia. Przykłady spektrów odpowiedzi pokazują, iż zapewnienie odpowiedniej przerwy dylatacyjnej lub zgranie parametrów...
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Hydrogen induced degradation of structural steel exposed to the technical liquid hydrocarbons
PublikacjaSusceptibility of the differently heat treated 26H2MF steel to stress corrosion cracking has been evaluated in the constant strain rate tension tests done at the strain rate 10-6s-1 and in the constant load tests done at the 0,98 of fracture load. The boiler fuel and the aged mineral oil at 135C and 80C respectively, have been used as the aggressive environments.
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Quantitative structure–retention relationships in affinity high-performance liquid chromatography
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The influence of laser alloying on the structure and mechanical properties of AlMg5Si2Mn surface layers
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Hyperfine Structure Study of Several Lines of207Pb I – Part II
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Influence of chemical composition of amide block on the thermal properties and structure of terpolymers
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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
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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Lamb Wave Based Structural Damage Detection Using Stationarity Tests
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Structure – chiroptical properties relationship of cisoid enones with an α-methylenecyclopentanone unit
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Synthesis and comprehensive structural and physicochemical characterization of dutasteride hydrochloride hydrate solvates
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Analysis of molecular structure of starch citrate obtained by a well-stablished method
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Structural properties and adsorption of uranyl ions on the nanocomposite hydroxyapatite/white clay
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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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Structural Determinants of Substrate Specificity of SplF Protease from Staphylococcus aureus
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Structure and elastic properties of Mg(OH)2from density functional theory
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A Molecular dynamics study of the influence of chemical reduction on the structure of amorphous germania
PublikacjaPraca 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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Antimony substituted lanthanum orthoniobate proton conductor – structure and electronic properties.
PublikacjaX‐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
PublikacjaThe 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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Experimental Study on the Effectiveness of Polyurethane Flexible Adhesive in Reduction of Structural Vibrations
PublikacjaThe aim of the present study is to consider the idea of using polyurethane flexible adhesive in to reduce the vibrations in structures exposed to dynamic loads and evaluate their damping properties in relation to large deformations. Firstly, two aluminium cantilever beams, simulating structural elements (without and with polyurethane layer in the form of tape), were analysed, in order to check the damping of the unconstrained polymer...
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Structural Assessment of Reinforced Concrete Beams Incorporating Waste Plastic Straws
PublikacjaThe behavior of reinforced concrete beams containing fibers made of waste plastic straws (WPSs) under the three point bending test is examined. The effect of WPS fiber addition on the compressive and split tensile strength is reported. Four concrete mixes were prepared. The control mix PS-0 had a proportion of 1 cement: 1 sand: 2 coarse aggregate and a water cement ratio of 0.4. In the other three mixes PS-0.5, PS-1.5 and PS-3,...
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Hydrazinolysis Products of Selected Sugar Lactones—Crystal Structure and Microbiological Activity
PublikacjaCommercially 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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Photogrammetry image-based approach for imperfect structure modelling and FE analysis
PublikacjaThis 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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Solvothermal synthesis and structural characterization of three polyoxotitanium-organic acid clusters
PublikacjaThree new titanium oxo-clusters Ti4O2(OiPr)10(OOCPhMe)2 (I), Ti6O4(OEt)8(OOCPhMe)8 (II) and Ti6O6(OEt)6(OOCCHPh2)6 (III) were obtained by easy one-step solvothermal reactions of titanium(IV) isopropoxide, alcohols and carboxylic acids. The three compounds were characterized by single-crystal and powder X-ray diffraction, TGA/DSC, optical and electron microscopy, and FTIR and NMR spectroscopy. X-ray powder diffraction and spectroscopy...
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Impact of AlphaFold on structure prediction of protein complexes: The CASP15‐CAPRI experiment
PublikacjaWe 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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A probabilistic-driven framework for enhanced corrosion estimation of ship structural components
PublikacjaThe work proposes a probabilistic-driven framework for enhanced corrosion estimation of ship structural components using Bayesian inference and limited measurement data. The new approach for modelling measurement uncertainty is proposed based on the results of previous corrosion tests that incorporate the non-uniform character of the corroded surface of structural components. The proposed framework's basic features are outlined,...
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Phosphinoborenium cations stabilized by N-heterocyclic carbenes: synthesis, structure, and reactivity
PublikacjaPhosphinoborenium 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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Strength analysis of a large-size supporting structure for an offshore wind turbine
PublikacjaThe 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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A Generalized Framework Towards Structural Mechanics of Three-layered Composite Structures
PublikacjaThree-layered composite structures find a broad application. Increasingly, composites are being used whose layer thicknesses and material properties diverge strongly. In the perspective of structural mechanics, classical approaches to analysis fail at such extraordinary composites. Therefore, emphasis of the present approach is on arbitrary transverse shear rigidities and structural thicknesses of the individual layers. Therewith...
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Structural and electrical properties of Cr-doped SrTiO 3 porous materials
PublikacjaSeries of single-phase materials with assumed formula SrTi1−xCrxO3 (where x = 0, 1, 4, 6 mol.%) were obtained by sol-gel method. The structure and microstructure of materials were characterised by X-ray diffraction and scanning electron microscopy methods. Moreover, the study of electrical properties and evaluation of chemical stability in CO2/H2O atmosphere was performed by electrochemical impedance spectroscopy and thermogravimery...
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Synthesis and structure of Bi 5 FeTi 3 O 15 ceramics
PublikacjaAim 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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Minimal parameter implicit solvent model for ab initioelectronic-structure calculations
PublikacjaAbstract - 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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Molecular and structural characteristics of cod gelatin films modifiedwith EDC and TGase
PublikacjaCod gelatin films before and after cross-linking of gelatin with 1-ethyl-3-(3-dimethylaminopropyl) carbodiimide (EDC) or transglutaminase (TGase) have been characterized by FT-IR spectroscopy and DSC analysis. For comparison, a film prepared from unmodified pig gelatin has been also analysed. The difference spectra showed that cod gelatin during the film formation involved first of all water-to-amide hydrogen bonds, and the film...
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Structure elucidation of carbamoylo-β-lactam diastereoisomers by ROESY and NOESY experiments
PublikacjaRecently 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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Structure of sol-gel derived Nb2O5 films for active coating devices
PublikacjaW 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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Influence of electric power generator structure on frequency control - mathematical modeliling
PublikacjaPodstawowym 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...