Search results for "Transition temperature"

showing 10 items of 137 documents

Pressure effects on the vibrational properties of alpha-Bi2O3: an experimental and theoretical study

2014

We report an experimental and theoretical high-pressure study of the vibrational properties of synthetic monoclinic bismuth oxide (alpha-Bi2O3), also known as mineral bismite. The comparison of Raman scattering measurements and theoretical lattice-dynamics ab initio calculations is key to understanding the complex vibrational properties of bismite. On one hand, calculations help in the symmetry assignment of phonons and to discover the phonon interactions taking place in this low-symmetry compound, which shows considerable phonon anticrossings; and, on the other hand, measurements help to validate the accuracy of first-principles calculations relating to this compound. We have also studied …

Models MolecularPhase transitionPhononHydrostatic pressureMolecular Conformationchemistry.chemical_elementMolecular physicsVibrationPhase TransitionBismuthCondensed Matter::Materials Sciencesymbols.namesakeAb initio quantum chemistry methodsMaterials TestingPressureTransition TemperatureGeneral Materials ScienceComputer SimulationHydrostatic pressureChemistryLattice dynamicsCondensed Matter PhysicsAmorphizationAmorphous solidCrystallographyModels ChemicalFISICA APLICADAsymbolsSesquioxidesAb initio calculationsBismuthRaman scatteringMonoclinic crystal system
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Identifying three-way DNA junction-specific small-molecules

2012

Three-way junction DNA (TWJ-DNA, also known as 3WJ-DNA) is an alternative secondary DNA structure comprised of three duplex-DNAs that converge towards a single point, termed the branch point. This point is characterized by unique geometrical properties that make its specific targeting by synthetic small-molecules possible. Such a targeting has already been demonstrated in the solid state but not thoroughly biophysically investigated in solution. Herein, a set of simple biophysical assays has been developed to identify TWJ-specific small-molecule ligands; these assays, inspired by the considerable body of work that has been reported to characterize the interactions between small-molecules an…

Models MolecularPorphyrinsSolid-stateNanotechnologyComputational biology010402 general chemistryLigands01 natural sciencesBiochemistrySmall Molecule Libraries03 medical and health scienceschemistry.chemical_compoundPiperidinesFluorescence Resonance Energy TransferTransition TemperatureComputingMilieux_MISCELLANEOUS030304 developmental biology0303 health sciencesAza CompoundsSpectrum AnalysisGeneral MedicineDNASmall moleculePorphyrin0104 chemical sciencesG-QuadruplexesSolutions[SDV.BBM.BP]Life Sciences [q-bio]/Biochemistry Molecular Biology/BiophysicsKineticschemistryMetalsThree wayQuinolinesThermodynamicsSingle pointDNA
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Calorimetric Behavior of Phosphatidylcholine/Phosphatidylethanolamine Bilayers is Compatible with the Superlattice Model

2012

Differential scanning calorimetry was used to study the phase behavior of binary lipid bilayers consisting of phosphatidylcholine (PC) and phosphatidylethanolamine (PE) of varying acyl chain length. A two-state transition model was used to resolve the individual transition components, and the two-state transition enthalpy, the relative enthalpy, and the transition temperature of each component were plotted as a function of composition. Intriguingly, abrupt changes in these thermodynamic parameters were observed at or close to many "critical" X(PE) values predicted by the superlattice model proposing that phospholipids with different headgroups tend to adopt regular rather than random latera…

Models MolecularSuperlatticeLipid BilayersEnthalpyAnalytical chemistryThermodynamics02 engineering and technologyCalorimetryArticle03 medical and health scienceschemistry.chemical_compoundDifferential scanning calorimetryPhase (matter)PhosphatidylcholineMaterials ChemistryTransition TemperaturePhysical and Theoretical ChemistryLipid bilayer030304 developmental biologyPhysics::Biological Physics0303 health sciencesCalorimetry Differential ScanningChemistryPhosphatidylethanolaminesTransition temperature021001 nanoscience & nanotechnologySurfaces Coatings and FilmsPhosphatidylcholinesThermodynamics0210 nano-technologyThe Journal of Physical Chemistry B
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Surface-induced order and diffusion in 5CB liquid crystal confined to porous glass.

2001

Liquid crystals confined into small cavities are known to have a weak orientational order even above the nematic-isotropic transition temperature. The surface-induced order and molecular dynamics in this temperature range are studied with the aid of deuteron NMR spectra, spin relaxation times T(1) and T(2,) proton dipolar-correlation effect, and direct measurements of the effective diffusion coefficient for the liquid crystal 5CB confined to controlled-pore glasses. Our results show that an arrangement of molecules parallel to the wall is induced by local molecular interactions between the liquid crystal and solid, resulting in a weak and temperature independent surface order parameter, S(0…

Molecular diffusionMagnetic Resonance SpectroscopyProtonChemistryPolymersTransition temperatureDiffusionBiomedical EngineeringBiophysicsAnalytical chemistryTemperaturePorous glassAtmospheric temperature rangeDiffusionMolecular dynamicsLiquid crystalChemical physicsRadiology Nuclear Medicine and imagingGlassRheologyPorosityMagnetic resonance imaging
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Experimental and theoretical evidence for bilayer-by-bilayer surface melting of crystalline ice

2017

On the surface of water ice, a quasi-liquid layer (QLL) has been extensively reported at temperatures below its bulk melting point at 273 K. Approaching the bulk melting temperature from below, the thickness of the QLL is known to increase. To elucidate the precise temperature variation of the QLL, and its nature, we investigate the surface melting of hexagonal ice by combining noncontact, surface-specific vibrational sum frequency generation (SFG) spectroscopy and spectra calculated from molecular dynamics simulations. Using SFG, we probe the outermost water layers of distinct single crystalline ice faces at different temperatures. For the basal face, a stepwise, sudden weakening of the hy…

MultidisciplinarySum-frequency generationMaterials scienceBilayerTransition temperatureSum frequency generationSurface meltingWaterNanotechnology02 engineering and technology010402 general chemistry021001 nanoscience & nanotechnology01 natural sciencesSpectral line0104 chemical sciencesMolecular dynamicsChemical physicsCommentariesMelting pointStepwise0210 nano-technologySpectroscopyCrystalline iceLayer (electronics)Proceedings of the National Academy of Sciences
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On the strength of the U A (1) anomaly at the chiral phase transition in N f = 2 QCD

2016

We study the thermal transition of QCD with two degenerate light flavours by lattice simulations using $O(a)$-improved Wilson quarks. Temperature scans are performed at a fixed value of $N_t = (aT)^{-1}=16$, where $a$ is the lattice spacing and $T$ the temperature, at three fixed zero-temperature pion masses between 200 MeV and 540 MeV. In this range we find that the transition is consistent with a broad crossover. As a probe of the restoration of chiral symmetry, we study the static screening spectrum. We observe a degeneracy between the transverse isovector vector and axial-vector channels starting from the transition temperature. Particularly striking is the strong reduction of the split…

Nuclear and High Energy PhysicsNuclear TheorySpontaneous symmetry breakingHigh Energy Physics::LatticeNuclear TheoryFOS: Physical sciences01 natural sciencesNuclear Theory (nucl-th)PionHigh Energy Physics - LatticeHigh Energy Physics - Phenomenology (hep-ph)0103 physical sciences010306 general physicsMass screeningPhysicsQuantum chromodynamicsIsovectorCondensed matter physics010308 nuclear & particles physicsTransition temperatureMESON SCREENING MASSES; HIGH-TEMPERATURE PHASE; QUARK-GLUON PLASMA; LATTICE QCD; WILSON FERMIONS; HADRONIC SPECTRUM; O(A) IMPROVEMENT; U(1)(A) SYMMETRY; GAUGE-THEORIES; STRANGE QUARK; Global Symmetries; Lattice QCD; Phase Diagram of QCD; Spontaneous Symmetry BreakingHigh Energy Physics - Lattice (hep-lat)ddc:530Lattice QCD530 PhysikPseudoscalarHigh Energy Physics - Phenomenology
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Influence of B-site chemical ordering on the dielectric response of the Pb(Sc1/2Nb1/2)O3relaxor

2001

The influence of chemical B-site ordering between Sc3+ and Nb5+ cations on the properties of the Pb(Sc1/2Nb1/2)O3 (PSN) relaxor has been investigated. Depending of the degree of ordering, PSN exhibits different behaviours. For a completely disordered material, a relaxor–ferroelectric phase transition is observed at 379 K by DSC. Ordering between Sc3+ and Nb5+ cations on the B-site of the perovskite structure leads to a non-homogeneous material constituted of two phases: ordered and disordered phases. The phase transition temperature of the ordered phase is confirmed to be lower (346 K) than that of the disordered phase. It appears that the phase transition of the disordered phase is shifted…

PermittivityCrystallographyPhase transitionElectron diffractionChemistryTransition temperaturePhase (matter)General Materials ScienceCalorimetryCondensed Matter PhysicsFerroelectricitySuperstructure (condensed matter)Journal of Physics: Condensed Matter
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Temperature and electric field dependence of the permittivity of Ba0.9Sr0.1TiO3 films epitaxially grown on cuprate electrodes

1999

Abstract Cuprate, high-temperature superconductors and perovskite ferroelectrics have similar crystal structures and chemical constituents and, therefore, it can be advantageous to deposit epitaxial trilayer capacitors with high-Tc electrodes and operate these at room temperature, well above the transition temperature Tc, in order to achieve a high dielectric constant, tunability, and relatively low microwave loss. Epitaxial heterostructures (200 nm)YBa2Cu3O7−δ/(600 nm)Ba0.9Sr0.1TiO3/(200 nm)YBa2Cu3O7−δ and (200 nm)NdBa2Cu3O7−δ/(600 nm)Ba0.9Sr0.1TiO3/(200 nm)NdBa2Cu3O7−δ were laser deposited on (100)LaAlO3 substrates. The relative dielectric permittivity e/e0 of Ba0.9Sr0.1TiO3 was in the ra…

PermittivitySuperconductivityMaterials scienceCondensed matter physicsTransition temperatureBiasingDielectricCondensed Matter PhysicsElectronic Optical and Magnetic Materialschemistry.chemical_compoundchemistryElectric fieldStrontium titanateCuprateElectrical and Electronic EngineeringPhysica B: Condensed Matter
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Investigation of various shellac grades: additional analysis for identity.

2009

Background: A number of different grades of shellac are commercially available and most of them are known only as generic shellac and are not further differentiated. The investigated grades of shellac in this study are based on different insect strains, host trees, refining methods, and products from different suppliers. Method: The Gardner/Iodine color values of alcoholic and aqueous solutions of the various shellac grades were measured. Glass transition temperatures and pKa-values were determined. To assess chemical differences in the tested shellac grades, MALDI-TOF analysis was performed. Results: Differences were found in color, TG, and pKa-values and in the mass spectra by MALDI-TOF a…

PharmacologyQuality ControlInsectaChemistryOrganic ChemistryPharmaceutical ScienceMineralogyColorExcipientsPharmaceutical technologyvisual_artDelayed-Action PreparationsSpectrometry Mass Matrix-Assisted Laser Desorption-IonizationDrug DiscoveryShellacvisual_art.visual_art_mediumAnimalsTransition TemperatureFood scienceControl parametersResins PlantDrug development and industrial pharmacy
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Polymeric monolayers and liposomes as models for biomembranes

1985

Polymer chemists as poachers in foreign grounds? Why not? Macromolecular chemistry has become a mature science with all advantages and handicaps of a well-established scientific discipline: many heights are conquerred and the harvest is abundant, but adventures and the future might be elsewhere. Besides, in these times of bottomed out industrial profits in common plastics, future polymer chemistry cannot be limited to repetitive improvement of already successful mass polymers but should rather expand into neighboring fields of material science as well as life science where “polymer thinking” might help to overcome difficulties. — First hesitant steps on the bridge towards membrane biology h…

Phase transition temperatureChemistryPolymer chemistry
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