Search results for " mean square displacements"

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Dynamical properties of myoglobin in an ultraviscous water-glycerol solvent investigated with elastic neutron scattering and FTIR spectroscopy

2018

Abstract Proteins have distinctive dynamical properties, characterized by the fluctuations of protein molecules among the different minima of their energy landscape. These fluctuations, progressively activated for temperature values larger than ~180 K, lead to a steep increase in the temperature dependence of all measurable dynamical properties. This phenomenon is known as Protein Dynamical Transition and, in spite of the intense studies due to its importance in protein function and to the relation with the fascinating fundamental thermodynamics of complex systems, many aspects of it are not yet clearly understood. Among these, the relationship with the properties of the external solvent an…

Materials Chemistry2506 Metals and AlloysMaterials scienceAtomic and Molecular Physics and OpticHydrogenchemistry.chemical_element02 engineering and technologyNeutron scatteringCondensed Matter PhysicNeutron scattering010402 general chemistry01 natural sciencesQuantitative Biology::Subcellular Processeschemistry.chemical_compoundAmide bands; Fourier transform infrared spectroscopy; Mean square displacements; Neutron scattering; Protein dynamical transition; Electronic Optical and Magnetic Materials; Atomic and Molecular Physics and Optics; Condensed Matter Physics; Spectroscopy; Physical and Theoretical Chemistry; Materials Chemistry2506 Metals and AlloysMaterials ChemistrySide chainMoleculeAmide bandFourier transform infrared spectroscopyPhysical and Theoretical ChemistrySpectroscopySpectroscopyMean square displacementQuantitative Biology::BiomoleculesAmide bandsElectronic Optical and Magnetic MaterialProtein dynamical transitionEnergy landscapeFourier transform infrared spectroscopy021001 nanoscience & nanotechnologyCondensed Matter PhysicsMean Square DisplacementsAtomic and Molecular Physics and OpticsSettore FIS/07 - Fisica Applicata(Beni Culturali Ambientali Biol.e Medicin)0104 chemical sciencesElectronic Optical and Magnetic MaterialsMyoglobinchemistryFTIRChemical physics0210 nano-technology
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Supercooled Water Confined in a Silica Xerogel: Temperature and Pressure Dependence of Boson Peak and of Mean Square Displacements

2013

A silica xerogel can be obtained from an alcoxide precursor (TMOS, tetramethylortosilcate) via the sol-gel method: TMOS hydrolysis and subsequent polycondensation yields a solid, disordered, porous SiO2 matrix (average pore dimensions ~20Å). Inside the pores water is trapped and the hydration level h=gr[H2O]/gr[SiO2] can be easily controlled. The presence and temperature dependence of the boson peak (BP) in xerogel confined supercooled water was studied with inelastic neutron scattering (spectrometer IN6 at ILL, Grenoble) in xerogel samples having h=0.4 and h=0.2. After careful subtraction of the contributions arising from the matrix and from quasi-elastic scattering, the BP contribution wa…

silica xerogel boson peak inelastic neutron scattering excess density of states LDL->HDL transition mean square displacements elastic neutron scattering protein dynamical transitionSettore FIS/07 - Fisica Applicata(Beni Culturali Ambientali Biol.e Medicin)
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