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Search results for: CORE-SHELL STRUCTURE
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Tautomerism, structure and properties of 1,1',1''-(2,4,6-trihydroxybenzene-1,3,5-triyl)triethanone
PublicationWedług teoretycznych przewidywań 1,3,5-triacetylo-2,4,6-trihydroksybenzen może występować w 5 formach tautomerycznych, z których dwie powinny wyróżniać się wysoką stabilnością. Teoretyczne przewidywania zostały skonfrontowane z rezultatami pomiarów spektralnych.
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Crystal structure and physical properties of NpRh2Sn, a new Np-based ternary compound
PublicationPoprzez syntezę w piecu łukowym został otrzymany nowy związek o stechiometrii NpRh2Sn. NpRh2Sn krystalizuje w strukturze ortorombowej i wykazuje przejście PM-AFM w temperaturze Neela T_N = 34K.
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Electronic structure calculations in electrolyte solutions: Methods for neutralization of extended charged interfaces
PublicationDensity functional theory (DFT) is often used for simulating extended materials such as infinite crystals or surfaces, under periodic boundary conditions (PBCs). In such calculations, when the simulation cell has non-zero charge, electrical neutrality has to be imposed, and this is often done via a uniform background charge of opposite sign (“jellium”). This artificial neutralization does not occur in reality, where a different...
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Structure and magnetic properties of BeO-Fe2O3-Al2O3-TeO2 glass-ceramic composites
PublicationIn this work, glass-ceramics in the xBeO–20Fe2O3–(80-x)TeO2 system with x = 0–25 mol% were synthesized by the traditional melt quenching route and studied by inductively coupled plasma optical emission spectroscopy, X-ray diffraction, confocal microscopy, infrared and Raman spectroscopy. BeO addition was found to support the crystallization process of Fe2O3 during melting, and an increased BeO content was associated with an increased...
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Influence of Parameters of Laser Beam Welding on Structure of 2205 Duplex Stainless Steel
PublicationLaser welding is used in modern industry, having many advantages comparing to traditional welding technologies. Nowadays, industry sectors such as shipbuilding, automotive and aviation can’t be imagined without laser processing technologies. Possibility of increase of welded joint properties, autogenous welding and high level of process automation makes the technology of laser welding perspective part of the industry. Physical...
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Binder-induced surface structure evolution effects on Li-ion battery performance
PublicationA comparative investigation on binder induced chemical and morphological evolution of Li4Ti5O12 electrodes was performed via X-ray photoemission spectroscopy, scanning electron microscopy, and electrochemical measurements. Composite electrodes were obtained using three different binders (PAA, PVdF, and CMC) with 80:10:10 ratio of active material:carbon:binder. The electrochemical performances of the electrodes, were found to be...
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Bounding approach to parameter estimation without priori knowledge on model structure error.
PublicationArtykuł przedstawia estymację parametrów modelu ARMA (Autoregresive moving average) metodą zbiorów ograniczonych. Założono brak wiedzy na temat ograniczeń na błąd struktury modelu lub, że wiedza ta jest bardzo konserwatywna. W celu redukcji tego konserwatyzmu, zaproponowano koncepcje modelu punktowo-parametrycznego. W podejściu tym zakłada się istnienie zbioru parametrów modelu oraz błędu struktury odpowiadających każdej z trajektorii...
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The Righi-Leduc effect: on evidence of two-band electronic structure in Nd1.86Ce0.14CuO4-y.
PublicationPrzedstawiono badania temperaturowe zależności oporu elektrycznego, efektu Halla (RH), przewodnictwa cieplnego (k) i współczynnika Righi-Leduc(SRL). Badania wykazały, że współczynnik RL> 0 w szerokim zakresie temperatur RH zmienia znak dwukrotnie w T=50 i 250K. Niezgodność znaków SRL i RH jednoznacznie wskazuje obecność w materiale nośników obu znaków tzn. n- i p- typu. W pracy pokazano, że transport ciepła zdominowany jest przez...
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DEM modelling of concrete fracture based on its structure micro-CT images
PublicationW rozdziale książki zawarto numeryczne wyniki mezoskopowe dotyczące postępującego pękania betonu na poziomie kruszywa. Do badania procesu pękania belki betonowej z karbem w trzech (3D) i dwóch (2D) wymiarach zastosowano metodę elementów dyskretnych (DEM). Niejednorodność betonu uwzględniono stosując czterofazowy opis: kruszywo, zaprawa, makropustki i międzyfazowe strefy przejściowe. W obliczeniach DEM na podstawie zdjęć rentgenowskich...
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Effect of aggregate structure on fracture process in concrete using 2D lattice model
PublicationArtykuł przedstawia symulacje rys w betonie przy zastosowaniu nowego modelu siatkowego. Zbadano wpływ rozkładu i wielkości kruszywa oraz wpływ strefy kontaktu na nośność i propagacje rys. Obliczenia były dwuwymiarowe.
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Discrete modeling of micro-structure evolution during concrete fracture using DEM
PublicationW artykule pokazano wyniki dyskretne DEM dla betonu poddanego ściskaniu i rozciąganiu jednoosiowemu. Wyniki siła-przemieszczenie i zarysowania porównano z doświadczeniami. Szczególną uwagę zwrócono na zjawiska mikrostrukturalne podczas zarysowania na poziomie kruszywa.
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Biomimetic torene shells
PublicationThe genome inside the eukaryotic cells is guarded by a unique shell structure, called the nuclear envelope (NE), made of lipid membranes. This structure has an ultra torus topology with thousands of torus-shaped holes that imparts the structure a high flexural stiffness. Inspired from this biological design, here we present a novel ‘‘torene’’ architecture to design lightweight shell structures with ultra-stiffness for engineering...
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Copper(I) halide cluster-based coordination polymers modulated by chiral ditopic dithiodianthranilide ligands: synthesis, crystal structure and photoluminescence
PublicationReaction of copper(I) halides with chiral dithiodianthranilidesmdtaandbdtaafforded polymeric complexeswhere polynuclear CuX clusters were linked together by ditopic bridging ligands into 1D chains or 2D layerstructures. In the case of racemic ligands double stranded chain polymers were formed where the Cu4X4(X = I or Br) cores are connected by enantiomeric pairs of the ditopic ligands. In contrast, a homochiralmdtaligand created...
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Structure-based design and evaluation of novel N-phenyl-1H-indol-2-amine derivatives for fat mass and obesity-associated (FTO) protein inhibition
PublicationFat mass and obesity-associated (FTO) protein contributes to non-syndromic human obesity which refers to excessive fat accumulation in human body and results in health risk. FTO protein has become a promising target for anti-obesity medicines as there is an immense need for the rational design of potent inhibitors to treat obesity. In our study, a new scaffold N-phenyl-1H-indol-2-amine was selected as a base for FTO protein inhibitors...
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Effect of hybrid modification by ceramic layer formation in MAO process and laser remelting on the structure of titanium bio-alloy Ti13Nb13Zr
PublicationTo improve the biological properties of titanium alloy Ti13Nb13Zr, hybrid modifications involving micro-arc oxidation (MAO) and Nd: YAG laser remelting were carried out in two combinations. The first consisted of laser modification before the production of the ceramic layer by the micro-arc oxidation process, and the second combination involved Nd: YAG laser modification after the MAO process. The creation of developed surface...
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Transport of Particles in Intestinal Mucus under Simulated Infant and Adult Physiological Conditions: Impact of Mucus Structure and Extracellular DNA
PublicationThe final boundary between digested food and the cells that take up nutrients in the small intestine is a protective layer of mucus. In this work, the microstructural organization and permeability of the intestinal mucus have been determined under conditions simulating those of infant and adult human small intestines. As a model, we used the mucus from the proximal (jejunal) small intestines of piglets and adult pigs. Confocal...
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Enhancing Seismic Performance of Semi-rigid Connection Using Shape Memory Alloy Bolts Considering Nonlinear Soil–Structure Interaction
PublicationSteel Moment-Resisting Frames (SMRFs) have their lateral resistance for their rigid connections, while real conditions have shown that the rigidity of a connection depends on the bolts and the end-plate thickness, which may not provide the assumed rigidity in design process. In this research, the main goal is to enhance the semi-rigid connections using shape memory alloy (SMA) bolts and explore their effects on the seismic limit-state...
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In Situ Random Microseeding and Streak Seeding Used for Growth of Crystals of Cold-Adapted beta-D-Galactosidases: Crystal Structure of betaDG from Arthrobacter sp. 32cB
PublicationThere is an increasing demand for cold-adapted enzymes in a wide range of industrial branches. Nevertheless, structural information about them is still scarce. The knowledge of crystal structures is important to understand their mode of action and to design genetically engineered enzymes with enhanced activity. The most difficult task and the limiting step in structural studies of cold-adapted enzymes is their crystallization,...
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On the exact equilibrium conditions of irregular shells reinforced by beams along the junctions
PublicationThe exact, resultant equilibrium conditions for irregular shells reinforced by beams along the junctions are formulated. The equilibrium conditions are derived by performing direct integration of the global equilibrium conditions of continuum mechanics. New, exact resultant static continuity conditions along the singular curve modelling reinforced junction are presented. The results do not depend on shell thickness, internal through-the-thickness...
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The partial-order tree: a new structure for indexing on complex attributes in object-oriented databases
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Crystal structure and physical properties of NpRh,Sn, a new Np-based ternary compound
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Fiber - optic low-coherence tomography system for visualization of internal structure of ceramic materials
PublicationW artykule przedstawiono światłowodowy system dwuwymiarowej wizualizacji niejednorodnych struktur warstw ceramicznych. Omówiono projekt i fizyczną realizację układu wykorzystującego optyczną, niskokoherentną reflektometrię optyczną, która umożliwia niedestrukcyjne obrazowanie wewnętrznych struktur różnych materiałów. W pracy przedstawiono przykładowe wyniki pomiarów wewnętrznych warstw LSFO.
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Hyperfine structure and isotope shifts in 733.2 nm mixed forbidden line of Pb I
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Simulation of Structure Formation Processes of Dissimilar Steels Welded Joints Using an Intermediate Layer
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Crystal structure, hydrogen bonds, and lattice dynamics in kanemite from first-principles calculations
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Synthesis, structure and application of a new class of Tr-podands derived in phase-transfer catalysis
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Structure and electrochemical reactivity of new sulphur–silicon podands adsorbed on silver or gold surfaces
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Arterial structure and function in subjects with acute coronary syndrome after one-year of treatment
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The influence of methods of potato weed control and meteorological conditions on shaping the tuber yield structure
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Gypsum dehydration in cement and its impact on air-void structure in air-entrained concrete
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Complementarity of Electronic and Vibrational Circular Dichroism Spectroscopy in Structure Determination of Vic-Amino Alcohols
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Vanadium complexes with salicylaldehyde-based Schiff base ligands—structure, properties and biological activity
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Effect of chemical structure and deposition method on optical properties of polyazomethines with alkyloxy side groups
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Influence of modes of thermal hardening and the subsequent cryogenic processing on structure and properties of steel 38Ni3CrMoV
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Numerical Estimate of the Spectral Resonance Structure Frequency Scale of Natural ULF Magnetic Field
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Effect of the template-assisted electrodeposition parameters on the structure and magnetic properties of Co nanowire arrays
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Structure–bioavailability relationship study of genistein derivatives with antiproliferative activity on human cancer cell
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Application of Bayesian Multilevel Modeling in the Quantitative Structure–Retention Relationship Studies of Heterogeneous Compounds
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An analysis and evaluation of the WeFold collaborative for protein structure prediction and its pipelines in CASP11 and CASP12
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Amide/Amino-Based Functional Additives for Lubricants: Structure, Antimicrobial Activity and Wear Resistance
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Endophytic microbiota and ectomycorrhizal structure of Alnus glutinosa Gaertn. at saline and nonsaline forest sites
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New Content Based Image Retrieval database structure using Query by Approximate Shapes
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Quantitative structure–retention relationships of ionic liquid cations in characterization of stationary phases for HPLC
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The structure and mechanical properties of AlMg5Si2Mn alloy after surface alloying by the use of fiber laser
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Blood–brain barrier permeability mechanisms in view of quantitative structure–activity relationships (QSAR)
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Creation of structures by 4, 5 and 6-year-old children, considering the conditions for the structure
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Ground volume assessment using ’Structure from Motion’ photogrammetry with a smartphone and a compact camera
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Modulated photocurrents in a sandwich-cell structure: II. Influence of biasillumination intensity and carrier diffusion
PublicationPodano przybliżone wyrażenia opisujące modulowane fotoprądy (na podstawiemodelu wielokrotnego pułapkowania) w uwzględnieniem czynników wymienionych wtytule. Zbadano numerycznie ich wpływ na modulowane fotoprądy dla modelowychrozkładów pułapek. Otrzymano wzór - kryterium zaniedbania wpływu dyfuzji nafotoprądy.
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Synthesis, structure and magnetic properties of neutral Ni(II) tri-tert-butoxysilanethiolate cluster
PublicationNowy klaster niklu(II) [Ni6(μ-O)6{SSi(tBuO)3}6(H2O)6(NH3)4] został otrzymany w reakcji NiCl2·6H2O z tri-tert-butoksysilanotiolu i amoniakiem w roztworze wodnym. Pomiary właściwości magnetycznych badanego związku pokazują obecność silnych antyferromagnetycznych oddziaływań pomiędzy centrami metalicznymi.
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Effect of glycols used as glycolysis agents on chemical structure and thermal stability of produced glycolysates
PublicationZaprezentowano warunki glikolizy poliuretanowych odpadów piankowych, przy użyciu różnych glikoli oraz wyniki badań budowy chemicznej glikolizatów oraz ich właściwości termicznych.