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Search results for: x-ray crystal structure
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Incensfuran: isolation, X-ray crystal structure and absolute configuration by means of chiroptical studies in solution and solid state
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5- epi -Incensole: synthesis, X-ray crystal structure and absolute configuration by means of ECD and VCD studies in solution and solid state
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X-Ray Structure Analysis Online
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Arbutin: Isolation, X-ray structure and computional studies
PublicationArbutin, an active component originated from Serratula quinquefolia for skin-whitening use and treating skin related allergic inflammation, was characterized by microanalysis, FTIR, UV-Vis, multinuclear NMR spectroscopy, and single crystal X-ray diffraction method. The geometries of the studied compound were optimized in singlet states using the density functional theory (DFT) method with B3LYP functional. Electronic spectra were...
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X-ray absorption fine structure and x-ray diffraction studies of crystallographic grains in nanocrystalline FePd:Cu thin films
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Crystal structure and physical properties of AePd1-xP1+x (Ae = Ca, Sr)
PublicationWe report the discovery of two new compounds AePd1-xP1+x (Ae = Ca, Sr) crystallized in different hexagonal structures. Single crystals of AePd1-xP1+x (Ae = Ca, Sr) are obtained using the Bi-flux method. Crystallographic analysis by both powder and single crystal X-ray diffraction shows that CaPd1-xP1+x crystallizes in a non-centrosymmetric hexagonal structure with the space group P-6m2 (No.187) and lattice parameters a = b = 4.0391(9)...
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Application of the X-ray micro computed tomography to the analysis of the structure of polymeric materials
PublicationIn this paper the application of X-ray micro-computed tomography (micro-CT) as a non-destructive testing method of polymeric materials is presented. Increasing applicability of polymers in variedend-use industries such as automotive, building and construction, consumer goods, and packaging is propelling the growth of the global polymer processing market. However, controlling of the polymer structure is one of the most important...
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Structure of Kα1,2 - and Kβ1,3 -emission x-ray spectra for Se, Y, and Zr
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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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Short-range order structure and free volume distribution in liquid bismuth: X-ray diffraction and computer simulations studies
PublicationThe structure of liquid bismuth was studied by X-ray diffraction and computer simulation methods. The contraction of the atomic structure within the first coordination sphere in the temperature interval of 575- 1225 K is reported. The temperature dependencies of the coordination numbers and of the free volume are analysed. On the basis of the temperature dependencies of the free volume, the temperature dependencies of viscosity...
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MODELLING OF CONCRETE FRACTURE AT AGGREGATE LEVEL USING DEM BASED ON X-RAY mu CT IMAGES OF INTERNAL STRUCTURE
PublicationThe paper describes two-dimensional meso-scale numerical results of fracture in notched concrete beams under quasi-static three-point bending. Concrete was modelled as a random heterogeneous 4-phase material composed of aggregate particles, cement matrix, interfacial transitional zones (ITZs) and air voids. As a numerical approach, the discrete element method (DEM) was used. The concrete micro-structure in calculations was directly...
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Synthesis and Properties of Di-isopropylamino Derivatives of Diphosphanes and Triphosphanes: The X-Ray Structure of (iPr2N)2P-P(SiMe3)2
PublicationPrzeprowadzono reakcję (iPr2N)2PCl z P(SiMe3)2Li w wyniku której otrzymano difosfan (iPr2N)2P-P(SiMe3)2. Strukturę związku określono przy pomocy rentgenowskiej analizy strukturalnej. Otrzymano także pochodną litową (iPr2N)2P-P(SiMe3)Li w rekcji z nBuLi. W reakcji (iPr2N)2PCl z (iPr2N)2P-P(SiMe3)Li otrzymano trifosfan (iPr2N)2P-P(SiMe3)-P(NiPr2)2 z dużą wydajnością. Próby otrzymania pochodnej litowej (iPr2N)2P-PLi-P(NiPr2)2 zakończyły...
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The synthesis, x-ray structure and metal cation complexation properties of colored crown with two heterocyclic residues as a part of macrocycle
PublicationZsyntezowano nowy eter koronowy zawierający ugrupowanie azowe, resztę pirolu i pirydyny w pierścieniu makrocyklicznym. Badano zdolność kompleksowania kationów metali w acetonitrylu oraz mieszaninę acetonitryl-woda. Do pomiarów wykorzystano spektrofotometrię UV-Vis. Ustalono strukturę krystalograficzną otrzymanego związku.
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Unraveling the origin of the complex structure of the thorium Lγ x-ray lines in high-resolution spectra induced by heavy projectiles
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Modelling of concrete fracture at aggregate level using FEM and DEM based on X-ray uCT images of internal structure
PublicationArtykuł podejmuje problem pękania w zginanych belkach betonowych. Proces pękania był obserwowany przy zastosowaniu mikrotomografii . Zaobserwowany proces był symulowany numerycznie przy zastosowaniu metody elementów skończonych i metody elementów dyskretnych. Beton był opisany jako materiał 4-fazowy. Otrzymano dobrą zgodność wyników numerycznych z doświadczalnymi.
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Modelling of concrete facture at aggregate level using DEM based on x-ray mu CT images of internal structure
PublicationW artykule pokazano wyniki dyskretne DEM dla pękania betonu poddanego zginaniu. Beton został symulowany jako ośrodek 4-fazowy. Mikrostrukturę betonu określono na podstawie zdjęć uzyskanych mikro-tomografem. Szczególną uwagę zwrócono na zjawiska mikrostrukturalne podczas zarysowania na poziomie kruszywa.
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Prediction of protein structure with the coarse-grained UNRES force field assisted by small X-ray scattering data and knowledge-based information
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The structure of vanadate glass-ceramics containing BaTiO3 measured with X-ray diffraction method
Open Research DataThe structure of vanadate glass-ceramics doped with BaTiO3 was measured by XRD. Samples of the composition of x[BaO,TiO2]–(80 − x)V2O5–20Bi2O3 where x = 5, 10 and 15 in mol% were prepared by a conventional melt quenching technique. The melting was performed in alumina crucibles at the temperature of 1273 K–1373 K. The melts were poured on a preheated...
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The structure of 70(2Bi2O3-V2O5) - 30SrBO7 measured with X-ray diffraction and SEM methods
Open Research DataThe structure changes of 70(2Bi2O3-V2O5)-30SrB4O7 glass occurred during increase in temperature was measured by XRD and SEM.
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The structure of Bi2VO5.5 ceramic prepared by 3 different ways measured with X-ray diffraction
Open Research DataThe structure of Bi2VO5.5 ceramics was measured by XRD.
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Lower rim substituted p-tert-Butylcalix[4]arenes: Part XI. New ester derivatives of calix[4]arene, their ionophoric properties and x-ray structure studies
PublicationPrzedstawiono syntezę 6-ciu nowych estrowych pochodnych kaliks[4]arenuw konformacji stożkowej. Pierwsze badania kompleksowania jonów metali przeprowadzone w membranach elektrod jonoselektywnych (ISE) potwierdziły kompleksowanie jonów sodu w sposób selektywny. Zaprezentowano strukturę rentgenowską monokryształów związku 6.
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The structure of 50(2Bi2O3-V2O5)-50SrB4O7 measured with X-ray diffraction method during heating
Open Research DataThe structure changes of 50(2Bi2O3-V2O5)-50SrB4O7 glass occurred during increase in temperature was measured by XRD.
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Shear fracture of longitudinally reinforced concrete beams under bending using Digital Image Correlation and FE simulations with concrete micro-structure based on X-ray micro-computed tomography images
PublicationThe paper presents experimental and numerical investigations of the shear fracture in rectangular concrete beams longitudinally reinforced with steel or basalt bar under quasi-static three point bending. Shear fracture process zone formation and development on the surface of beams was investigated by Digital Image Correlation (DIC) whereas thorough analyses of 3D material micro-structure, air voids, width and curvature of shear...
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Structure evolution of V2O5 thin films deposited on silicon substrate - High-Temperature X-ray Diffraction
Open Research DataThe DataSet contains the XRD patterns of V2O5 thin films deposited on silicon substrates (111). The thin films were obtained by the sol-gel method. The information about sol synthesis is described in the Journal of Nanomaterials. The sol was deposited on the silicon substrate. The structure was measured in-situ during heating between 50-800°C under...
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Structure evolution of V2O5 thin films deposited on quartz glass substrate - High-Temperature X-ray Diffraction
Open Research DataThe DataSet contains the XRD patterns of V2O5 thin films deposited on guartz glass. The thin films were obtained by the sol-gel method. The information about sol synthesis is described in the Journal of Nanomaterials. The sol was deposited on the quartz glass substrate. The structure was measured in-situ during heating between 50-800°C under synthetic...
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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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The structure of strontium–borate glasses and glass-ceramics containing nanocrystallites of Bi2VO5.5. measured with X-ray diffraction method
Open Research DataThe structure of strontium–borate glasses and glass-ceramics containing Bi2VO5.5 nanocrystallites was measured by XRD.
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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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X-RAY DIFFRACTION STUDY OF BISMUTH LAYER-STRUCTURED MULTIFERROIC CERAMICS
PublicationGoal of the present research was to apply a solid state reaction route to fabricate bismuth layer-structured multiferroic ceramics described with the formula Bi5FeTi3O15 and reveal the influence of processing conditions on its crystal structure and phase composition. Simple oxide powders Bi2O3, TiO2 and Fe2O3 were used to fabricate Aurivillius-type bismuth layer-structured ferroelectrics. Pressureless sintering in ambient air was...
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Crystal structure and electronic structure of CePt2In7
PublicationWe report a corrected crystal structure for the CePt2In7 superconductor, refined from single crystal x-ray diffraction data. The corrected crystal structure shows a different Pt–In stacking along the c-direction in this layered material than was previously reported. In addition, all of the atomic sites are fully occupied with no evidence of atom site mixing, resolving a discrepancy between the observed high resistivity ratio of...
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Study of the Layer-Type BST Thin Film with X-ray Diffraction and X-ray Photoelectron Spectroscopy
PublicationIn the present paper, results of X-ray photoelectron studies of electroceramic thin films of barium strontium titanate, Ba1xSrxTiO3 (BST), composition deposited on stainless-steel substrates are presented. The thin films were prepared by the sol-gel method. A spin-coating deposition of BST layers with different chemical compositions was utilized so the layer-type structure of (0-2) connectivity was formed. After the deposition,...
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High resolution X-ray diffractometry and reflectometry of semiconductor nano- and micro- structures based on X-ray refractive optics
PublicationIn this thesis proposed, discussed and studied novel synchrotron X-ray diffractometry and reflectometry methods based on a refractive optics. The experimental results obtained from the ID06 beamline at ESRF, Grenoble, France are presented and analyzed in this work to demonstrate a high angular and space resolution in addition to the opportunity to manage in situ and on operando experiments with the help of proposed X-ray optical...
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Influence of Processing Conditions on Crystal Structure of Bi6Fe2Ti3O18 Ceramics
PublicationAim of the present research was to apply a solid state reaction route to fabricate Aurivillius-type ceramics described with the formula Bi6Fe2Ti3O18 (BFTO) and reveal the influence of processing conditions on its crystal structure. Pressureless sintering in ambient air was employed and the sintering temperatures were 850 and 1080 °C. It was found that the fabricated BFTO ceramics were multiphase ones. They consisted of two Bim+1Fem-3Ti3O3m+3...
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Modeling of the M X-ray line structures for tungsten and L X-ray line structures for molybdenum
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Crystal structure, chemical bonding, and physical properties of layered AIrSn2 (A = Sr and Ba)
PublicationWe report the experimental and theoretical investigation of structure, chemical bonding interactions, and physical properties of new ternary stannides AIrSn2 (A = Sr and Ba). AIrSn2 (A = Sr and Ba) crystallizes in the orthorhombic Re3B-type structure with the space group Cmcm (No. 64). According to single-crystal X-ray diffraction results, the structure of AIrSn2 (A = Sr and Ba) can be considered as a Zintl-type compound with heterogeneous...
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The crystal structure of (1RS,4RS,5RS,6SR)-5-cyano-5-nitro-6-phenyl-bicyclo[2.2.1]hept-2-ene
PublicationStructure of nitronorbornene derivative C14H12N2O2 synthesized in the reaction of cyclopentadiene with E-2-phenyl-1-cyano-1-nitroethene was determined by single crystal X-ray diffraction analysis. It was found that in analyzed molecule the nitro group is in endo-position whereas phenyl group have exo-ori-entation.
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Fabrication and Crystal Structure of Sol-Gel Deposited BST Thin Films with Compositional Gradient
PublicationIn the present research technology of compositionally graded barium strontium titanate Ba1-xSrxTiO3 thin films deposited on stainless steel substrates by sol-gel spin coating followed with thermal annealing at T = 650°C is reported. Results of thermal behavior of the sol-gel derived powders with compositions used for fabrication of graded structure (i.e. with Sr mole fraction x = 0.5, 0.4 and 0.3) are described. X-ray diffraction...
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X-ray diffraction (XRD) of bulk boron and borophene flakes after the ball-milling process at different operating parameters
Open Research DataThese data include X-ray diffraction patterns of bulk boron and borophene obtained during ball milling at different rotation speeds, time and mass loadings. The data were collected to investigate the crystal structure of the studied materials.
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Preparation and X-ray structures of selected aminium thiosulfates
PublicationVarious types of aminium thiosulfates (1–6), including hydrates and mixed salts, have been obtained by the reaction of ammonium thiosulfate with amines. Tertbutylamine, cyclo-hexylamine and 1,6-diaminohexane gave crystals of (t-BuNH3)2S2O3·H2O (1), (c-C6H11NH3)2S2O3 (3) and {(NH4)2(H3NC6H12NH3)(S2O3)2} (6), respectively, which were investigated by X-ray structural analysis. Extensive hydrogen bonding of the N-H…O and N-H…S type...
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Influence of processing conditions on crystal structure of BiNbO 4 ceramics
PublicationBismuth niobate (BiNbO4) has attracted attention as a low-fired ceramics with promising microwave application potential. It belongs to the bismutocolumbite oxides with similarly to scheelite-like stibiotantalite structure (SbTaO4) A3+B5+O4. Aim of the present research was to fabricate BiNbO4 ceramics by solid state reaction route from the mixture of simple oxides viz. Bi2O3, and Nb2O5, and study its phase composition as well as...
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Crystal structure and low-energy Einstein mode in ErV2Al20 intermetallic cage compound
PublicationSingle crystals of a new ternary aluminide ErV2Al20 were grown using a self-flux method. The crystal structure was determined by powder X-ray diffraction measurements and Rietveld refinement, and physical properties were studied by means of electrical resistivity, magnetic susceptibility and specific heat measurements. These measurements reveal that ErV2Al20 is a Curie-Weiss paramagnet down to 1.95 K with an effective magnetic...
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CdWO/sub 4/ crystal in gamma-ray spectrometry
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Highly porous nanoberyllium for X-ray beam speckle suppression
PublicationThe speckle suppressor device containing highly porous nanoberyllium is proposed for manipulating with the spatial coherence length and removing undesirable speckle structure during the imaging experiments. We report a special device called the speckle suppressor, which contains the highly porous nanoberyllium plate, compacted from both sides by two beryllium windows. By insertion the speckle suppressor in the X-ray beam it allows...
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La 15 Nb x Ge 9 : a superstructure of the Mn 5 Si 3 structure type with interstitial Nb atoms
PublicationThe crystal structure and elementary properties of La15NbxGe9 are reported. Single-crystal X-ray diffraction,from a crystallite with only 0.12 Nb/formula unit, reveals that this compound, although transition metal deficient, crystallizes in a hexagonal “15-1-9”-like structure type, space group P63mc (no. 186) with lattice parameters a = b = 15.5017(2) Å, c = 6.9173(2) Å. The physical properties were examined by specific heat and resistivity...
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Use of X-ray radiography in the diagnosis of bonded anchors
PublicationKotwy wklejane należą do najbardziej popularnych metod montażu elementów konstrukcyjnych. Promieniowanie rentgenowskie częściowo umożliwia diagnostykę zespolenia lepiszcza z podłożem. W pracy przedstawiono wyniki analizy wpływu parametrów technicznych aparatów rentgenowskich na sposób i dokładność wykonania zdjęć diagnostycznych osadzenia kotew stalowych przy zastosowaniu lepiszcza syntetycznego
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Crystal Growth, Structure, and Magnetism of the 2D Spin 1/2 Triangular Lattice Material Rb3Yb(PO4)2
PublicationThe single-crystal growth, crystal structure, heat capacity, and anisotropic magnetization characterization of Rb3Yb- (PO4)2, a Yb-based triangular lattice material, are presented. Single-crystal X-ray diffraction shows that Rb3Yb(PO4)2 exhibits [Yb(PO4)]∞ layers, with the Yb in an ordered plane of equilateral triangles. One phosphate group oxygen that is not a near neighbor of the magnetic Yb displays positional disorder. The...
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X-ray and UV Radiation Damage of dsDNA/Protein Complexes
PublicationRadiation and photodynamic therapies are used for cancer treatment by targeting DNA. However, efficiency is limited due to physico-chemical processes and the insensitivity of native nucleobases to damage. Thus, incorporation of radio- and photosensitizers into these therapies should increase both efficacy and the yield of DNA damage. To date, studies of sensitization processes have been performed on simple model systems, e.g.,...
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DEEP LEARNING BASED ON X-RAY IMAGING IMPROVES COXARTHROSIS DETECTION
PublicationObjective: The purpose of the study was to create an Artificial Neural Network (ANN) based on X-ray images of the pelvis, as an additional tool to automate and improve the diagnosis of coxarthrosis. The research is focused on joint space narrowing, which is a radiological symptom showing the thinning of the articular cartilage layer, which is translucent to X-rays. It is the first and the most important of the radiological signs...
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Response of thermoluminescence dosemeters statically exposed to X-ray radiation
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High-pressure X-ray Diffraction Study of SrSi2O2N2:Eu2+
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