Search results for "X-Ray Diffraction"

showing 10 items of 280 documents

Photocatalytic activity of TiO2/SiO2 systems

2009

Silica-supported TiO(2) powders were synthesized by a wet method under mild conditions. The aim of the work was the preparation of TiO(2)/SiO(2) additives for photocatalytic cements. Three types of commercial SiO(2) were used as supports: Cabot, Axim and Fly Ash. Cabot silica was ultra-pure whereas the other two silica contained different percentages of various oxides. The TiO(2)/SiO(2) samples, denoted TiO(2)/Cabot, TiO(2)/Axim and TiO(2)/Fly Ash, were prepared by boiling suspensions obtained by addition of silica to a solution of TiCl(4) in water (volume ratio 1:10). The photocatalytic activity was evaluated in a gas-solid system both in batch and in continuous reactors using 2-propanol a…

Environmental EngineeringPhotochemistryScanning electron microscopeHealth Toxicology and MutagenesisMineralogyCatalysisCatalysischemistry.chemical_compoundX-Ray DiffractionTiO2 SiO2 photocatalysisEnvironmental ChemistryPhotodegradationWaste Management and DisposalTitaniumChemistryContinuous reactorSilicon DioxidePollutionTitanium oxidePhotocatalysis TiO2/SiO2 systems Gas–solid reactions Photocatalytic cement Urban pollutionSettore ING-IND/23 - Chimica Fisica ApplicataFly ashTitanium dioxideMicroscopy Electron ScanningPhotocatalysisSettore CHIM/07 - Fondamenti Chimici Delle TecnologieNuclear chemistry
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Comparative study of the high-pressure behavior of ZnV2O6, Zn2V2O7, and Zn3V2O8

2020

We report a study of the high-pressure structural behavior of ZnV2O6, Zn2V2O2, and Zn3V2O8, which has been explored by means of synchrotron powder x-ray diffraction. We found that ZnV2O6 and Zn3V2O8 remain in the ambient-pressure structure up to 15 GPa. In contrast, in the same pressure range, Zn2V2O2 undergoes three phase transitions at 0.7, 3.0, and 10.8 GPa, respectively. Possible crystal structures for the first and second high-pressure phases are proposed. Reasons for the distinctive behavior of Zn2V2O2 are discussed. The compressibility of the different polymorphs has been determined. The response to pressure is found to be anisotropic in all the considered compounds and the room-temp…

Equation of stateBulk modulusPhase transitionMaterials scienceEquation of stateHigh-pressureMechanical EngineeringMetals and AlloysThermodynamics02 engineering and technologyCrystal structure010402 general chemistry021001 nanoscience & nanotechnology01 natural sciences0104 chemical sciencesX-ray diffractionOctahedronMechanics of MaterialsPhase transitionsX-ray crystallographyMaterials ChemistryCompressibilityVanadates0210 nano-technologyAnisotropy
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High-pressure structural and elastic properties of Tl2O3

2014

The structural properties of Thallium (III) oxide (Tl2O3) have been studied both experimentally and theoretically under compression at room temperature. X-ray powder diffraction measurements up to 37.7 GPa have been complemented with ab initio total-energy calculations. The equation of state of Tl2O3 has been determined and compared to related compounds. It has been found experimentally that Tl2O3 remains in its initial cubic bixbyite-type structure up to 22.0 GPa. At this pressure, the onset of amorphization is observed, being the sample fully amorphous at 25.2 GPa. The sample retains the amorphous state after pressure release. To understand the pressure-induced amorphization process, we h…

Equation of statePhase transitionMaterials scienceAb initioOxideGeneral Physics and AstronomyThermodynamicsFOS: Physical sciencesInitio molecular-dynamicsHigh-temperatureInduced amorphizationchemistry.chemical_compoundX-Ray DiffractionTotal-Energy calculationsCondensed Matter - Materials ScienceSingle crystalMaterials Science (cond-mat.mtrl-sci)Compression (physics)Crystal thallic oxideAmorphous solidchemistryAugmented-wave methodFISICA APLICADAElectrical-conductionOrthorhombic crystal systemPhase-transformationPowder diffraction
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Flecainide acetate acetic acid solvates.

2011

Flecainide acetate forms acetic acid solvates with 0.5 and 2 acetic acid molecules. Powder X-ray diffraction, differential thermal analysis/thermogravimetric, infrared, and potentiometric titration were used to determine the composition of solvates. Flecainide acetate hemisolvate with acetic acid decomposes to form a new crystalline form of flecainide acetate. This form is less stable than the already known polymorphic form at all temperatures, and it is formed due to kinetic reasons. Both flecainide acetate nonsolvated and flecainide acetate hemisolvate forms crystallize in monoclinic crystals, but flecainide triacetate forms triclinic crystals. Solvate formation was not observed when flec…

FlecainideSpectrophotometry InfraredChemistryFormic acidPotentiometric titrationPharmaceutical ScienceFlecainide AcetateMedicinal chemistryAcetic acidchemistry.chemical_compoundPropanoic acidPolymorphism (materials science)SolubilityX-Ray DiffractionThermogravimetrymedicinePotentiometrySolventsOrganic chemistryCrystallizationFlecainideAnti-Arrhythmia Agentsmedicine.drugMonoclinic crystal systemAcetic AcidJournal of pharmaceutical sciences
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Influence of Twinning Microstructure of Crystals with Low Tetragonality on a X-Ray Diffraction

2001

The intensity distributions of the X-rays scattered in the tetragonal single crystal, which represent a complex of the twin domains separated by the coherent parallel boundaries, are simulated. The calculations are performed by using the Monte Carlo method within the framework of a kinematical approach. The thickness distributions of the twin domains are defined according to the geometrical, Gaussian and log normal functions. ‘Critical’ effects of the X-ray scattering are found, namely there is transformation of the tetragonal doublet into singlet or multiplet. As demonstrated, each of characteristics of the tetragonal doublet profile depends on a few parameters of the twin microstructure o…

Fluid Flow and Transfer ProcessesMaterials sciencetetragonal crystalMaterials Science (miscellaneous)satelliteMetals and AlloystwinsCondensed Matter PhysicsMicrostructurelcsh:QC1-999diffuse scatteringSurfaces Coatings and FilmsElectronic Optical and Magnetic MaterialsCondensed Matter::Materials ScienceCrystallographyx-ray diffractionCondensed Matter::SuperconductivityX-ray crystallographyCondensed Matter::Strongly Correlated ElectronsCrystal twinninglcsh:PhysicsUspehi Fiziki Metallov
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Tools for studying water vapor at high temperatures

2014

1. Kinetics and Oxidation Mechanisms 1.1 Experimental Devices that Produce Water Vapor1.2 Using the Jump Method to Understand Oxidation Mechanisms and Kinetics1.3 Detection of Breakaway Oxidation with Acoustic Emission during Thermal Oxide Scale Growth 1.4 Stress Analysis during and after Oxidation 2. Characterization 2.1 Use and Potential of Environmental SEM (ESEM) in High-Temperature Oxidation and Corrosion Studies in Wet Air 2.2 In Situ X-Ray Diffraction for Water Vapor Analyses2.3 Use of Synchrotron Beam for Evaluating the Influence of Water Vapor on the Corrosion of Metallic Materials 2.4 Raman Spectrometry2.5 In Situ Steam Oxidation Chamber Coupled to XPS 2.6 Hydrogen Profiling in Ox…

GDOESERDA[SPI.GPROC] Engineering Sciences [physics]/Chemical and Process EngineeringModeling[ SPI.GPROC ] Engineering Sciences [physics]/Chemical and Process EngineeringOxidation MechanismsSynchrotron BeamNumerical SimulationsCorrosionKineticsHigh-Temperature OxidationRaman SpectrometryXPS[SPI.GPROC]Engineering Sciences [physics]/Chemical and Process Engineering<i>In Situ</i> X-Ray DiffractionAcoustic Emission
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Interaction mechanism of endogenous PP2A inhibitor protein ENSA with PP2A

2022

The vast diversity of protein phosphatase 2A (PP2A) holoenzyme composition ensures its multifaceted role in the regulation of cellular growth and signal transduction. In several pathological conditions, such as cancer, PP2A is inhibited by endogenous inhibitor proteins. Several PP2A inhibitor proteins have been identified, one of which is α-endosulfine (ENSA). ENSA inhibits PP2A activity when it is phosphorylated at Ser67 by Greatwall (Gwl) kinase. The role of ENSA in PP2A inhibition is rather well characterized, but knowledge of the mechanism of inhibition is scarce. In this study, we have performed comprehensive structural characterization of ENSA, and its interaction with PP2A A- and var…

Gene isoformMitosisEndogenymacromolecular substancesProtein Serine-Threonine KinasesPP2A inhibitor protein010402 general chemistry01 natural sciencesBiochemistryenvironment and public health03 medical and health sciencesX-Ray DiffractionNeoplasmsScattering Small AngleHumansProtein Phosphatase 2DPsPhosphorylationNMR-spektroskopiaMolecular BiologyNuclear Magnetic Resonance Biomolecular030304 developmental biologyinhibiittoritsoluviestintä0303 health sciencesChemistryKinaseCell growthCell CycleCell BiologyProtein phosphatase 2Inhibitor proteinSAXSPhosphoproteinsNMR3. Good health0104 chemical sciencesCell biologyPP2Aenzymes and coenzymes (carbohydrates)ENSAPhosphorylationIntercellular Signaling Peptides and ProteinsproteiinitSignal transductionMicrotubule-Associated ProteinsProtein Processing Post-TranslationalSignal TransductionFEBS Journal
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Efficient Expression and Crystallization System of Cancer-Associated Carbonic Anhydrase Isoform IX.

2015

Human carbonic anhydrase IX (CA IX) is overexpressed in a number of solid tumors and is considered to be a marker for cellular hypoxia that it is not produced in most normal tissues. CA IX contributes to the acidification of the extracellular matrix, which, in turn, favors tumor growth and metastasis. Therefore, CA IX is considered to be a promising anti-cancer drug target. However, the ability to specifically target CA IX is challenging due to the fact that the human genome encodes 15 different carbonic anhydrase isoforms that have a high degree of homology. Furthermore, structure-based drug design of CA IX inhibitors so far has been largely unsuccessful due to technical difficulties regar…

Gene isoformModels MolecularAntineoplastic AgentsIsozymePichiaPichia pastorisSubstrate SpecificityStructure-Activity RelationshipX-Ray DiffractionAntigens NeoplasmCarbonic anhydraseNeoplasmsDrug DiscoverymedicineStructure–activity relationshipHumansCloning MolecularCarbonic Anhydrase IXCarbonic Anhydrase InhibitorsDatabases ProteinCarbonic Anhydraseschemistry.chemical_classificationbiologyChemistryLyasebiology.organism_classificationAcetazolamideIsoenzymesEnzymeBiochemistrybiology.proteinMolecular MedicineAcetazolamideCrystallizationBaculoviridaemedicine.drugJournal of medicinal chemistry
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Direct experimental observation of mesoscopic fluorous domains in fluorinated room temperature ionic liquids

2017

Fluorinated room temperature ionic liquids (FRTILs) represent a class of solvent media that are attracting great attention due to their IL-specific properties as well as features stemming from their fluorous nature. Medium-to-long fluorous tails constitute a well-defined apolar moiety in the otherwise polar environment. Similarly to the case of alkyl tails, such chains are expected to result in the formation of self-assembled fluorous domains. So far, however, no direct experimental observation has been made of the existence of such structural heterogeneities on the nm scale. We report here the first experimental evidence of the existence of mesoscopic spatial segregation of fluorinated dom…

General Physics and AstronomyNanotechnology02 engineering and technologyNeutron scattering010402 general chemistryLAYER CAPACITOR APPLICATIONS; PERFLUOROALKYL SIDE-CHAINS; ANGLE NEUTRON-SCATTERING; PARTICLE MESH EWALD; PHYSICOCHEMICAL PROPERTIES; FORCE-FIELD; CATION SYMMETRY; STRUCTURAL-CHARACTERIZATION; AMMONIUM TETRAFLUOROBORATE; MOLECULAR SIMULATION01 natural sciencesionic liquidsionic liquids SANS nanostructuration fluorous domains NMR NOEchemistry.chemical_compoundMolecular dynamicsPhysics and Astronomy (all)nanostructurationMoietyPhysical and Theoretical ChemistryAlkylNOEchemistry.chemical_classificationfluorous domainsMesoscopic physicsSANSNuclear magnetic resonance spectroscopy021001 nanoscience & nanotechnologyNMR0104 chemical sciencesfluorinated ionic liquids neutron scattering x-ray diffraction structurechemistryChemical physicsIonic liquidPolar0210 nano-technology
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Glycosylamines of 4,6-O-butylidene-α-d-glucopyranose: synthesis and characterization of glycosylamines, and the crystal structure of 4,6-O-butylidene…

2002

A total of nine glycosylamines of 4,6-O-butylidene-α-D-glucopyranose were synthesized using primary amines having various groups in their ortho- or para-positions. Among these, six are monoglycosylamines, including one primary glycosylamine, and three are bis-glycosylamines. All these compounds were characterized by 1H, 1H–1H COSY, 1H–13C COSY and 13C NMR spectroscopy and FTIR spectra. The FAB mass spectra provided the molecular weights of the products by exhibiting the corresponding molecular ion peaks. The crystal structure of 4,6-O-butylidene-N-(o-chlorophenyl)-β-D-glucopyranosylamine revealed the C-1 glycosylation, the β-anomeric nature, and the 4C1 chair conformation of the saccharide …

GlycosylamineGlucosamineGlycosylationGlycosylationStereochemistryDimerOrganic ChemistryCyclohexane conformationPolyatomic ionSynthesis (Chemical)General MedicineCrystal structureBiochemistryAnalytical ChemistryConformationsMolecular WeightCrystallographychemistry.chemical_compoundX-Ray DiffractionchemistryCarbohydrate ConformationMass spectrumCarbohydrate conformationAminesCrystallizationCarbohydrate Research
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