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Search results for: STRUKTURA MAJĄTKOWA
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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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Acetylcholinesterase inhibitors: structure-activity relationship and kinetic studies on selected flavonoids
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PbGa2GeS6 crystal as a novel nonlinear optical material: Band structure aspects
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Two-phase flow structure assessment based on dynamic image analysis
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FPGA Implementation of the Gradient Adaptive Lattice Filter Structure for Feature Extraction
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Plasmon and structure resonances in the scattering of light by a periodic chain of silver nanocylinders
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Thresholds of Lasing as Solutions of Characteristic Equation for a VCSEL-type Layered Structure
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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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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
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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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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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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Structure and wettability of heterogeneous monomolecular films of phospholipids with cholesterol or lauryl gallate
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Pincer Complexes Based on Phosphinoaminopyridines: Synthesis, Structural Characterization and Catalytic Applications
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Hybrid carbon-TiO2 spheres: Investigation of structure, morphology and spectroscopic studies
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Linear viscoelastic modelling of damage-involved structural pounding during earthquakes
PublicationDamage-involved structural pounding during earthquakes has been recently intensively studied using different impact force models. The results of the previous studies indicate that the linear viscoelastic model is relatively simple yet accurate in modelling pounding-involved behaviour of structures during earthquakes. The only shortcoming of the model is a negative value of the pounding force occurring just before separation, which...
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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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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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Molecular and structural characteristics of cod gelatin films modifiedwith EDC and TGase
PublicationCod 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
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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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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Propagation of guided elastic waves in shell-type aircraft structural elements
PublicationW pracy przedstawiony powłokowy spektralny element skończony do analizy zjawiska propagacji fal sprężystych w elementach konstrukcyjnych typu powłokowego.
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Structural properties of hydration shell around various conformations of simple polypeptides
PublicationIn 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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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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Granulometric analysis to etimate influence of anionic surfactrant on activated sludge structure
PublicationThe work concerns the evaluation of the possibility of using laser diffraction analyzer to determine changes in the distribution of sludge floc size in the presence of anionic surfactant. As a model of surfactant linear alkylbenzyne sulphonate (LAS) was used. The granulometric analysis showed that the pure activated sludge was composed of particles with a size of 0,001 to 2 mm. The largest and fastest changes in the distribution...
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A structure and simulation-driven design of compact CPW-fed UWB antenna
PublicationIn this letter, a structure of a miniaturized ultra-wideband CPW-fed antenna and its design proce-dure are presented. The antenna is a modified version of the design previously proposed in the literature, with additional degrees of freedom introduced in order to improve the structure flexibility. The small size is achieved by executing a rigorous optimization procedure that consists of two stages: (i) smart random search carried...
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Subsoil degradation effect in reliability analysis of the jack-up platform structure
PublicationStructural reliability analysis is considered, by FORM and SORM applied to a certain idealized soil-platform structure interaction problem due to cyclic water wave and wind loads. Wave and wind loads are random variables, whereas dead load is deterministic. Load parameters are typical for storm conditions in the Baltic Sea. The soil-structure interaction is idealized as a set of linear translational and rotational springs. Due...
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Structure and properties of liquid Al–Cu alloys: Empirical potentials compared
PublicationWe report on the structure and mass transport properties of liquid Al–Cu alloys predicted by two recently-developed empirical many-body potentials: MEAM (Jelinek et al., 2012) and EAM-ADP (Apostol and Mishin, 2011), and by the well-known Gupta potential. Total and partial pair correlation functions, angular distribution functions, densities, coordination numbers and self-diffusion coefficients are compared with published experimental...
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Structural Health Monitoring of Composite Shell Footbridge for Its Design Validation
PublicationThe paper presents the structural health monitoring system of the composite bridge for pedestrians and cyclists. The footbridge was designed and manufactured within the FOBRIDGE project. It is the first bridge in the world, which is classified as a consistent single element structural girder, made of sandwich shells, entirely produced in a single cycle. The developed structural health monitoring system, supported design process,...
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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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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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A probabilistic-driven framework for enhanced corrosion estimation of ship structural components
PublicationThe 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
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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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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Structural properties of mixed conductor Ba1−xGd1−yLax+yCo2O6−δ
PublicationBa1−xGd1−yLax+yCo2O6−δ (BGLC) compositions with large compositional ranges of Ba, Gd, and La have been characterised with respect to phase compositions, structure, and thermal and chemical expansion. The results show a system with large compositional flexibility, enabling tuning of functional properties and thermal and chemical expansion. We show anisotropic chemical expansion and detailed refinements of emerging phases as La is...