Search results for " Fisica"

showing 10 items of 4804 documents

Multiphoton Absorption of Myoglobin Nitric-Oxide complex: Relaxation by D-NEMD of a Stationary State

2012

ABSTRACT: The photodissociation and geminate recombination of nitric oxide in myoglobin, under continuous illumination, is modeled computationally. The relaxation of the photon energy into the protein matrix is also considered in a single simulation scheme that mimics a complete experimental setup. The dynamic approach to non-equilibrium molecular dynamics is used, starting from a steady state, to compute its relaxation to equilibrium. Simulations are conducted for the native form of sperm whale myoglobin and for two other mutants, V68W and L29F, illustrating a fair diversity of spatial and temporal geminate recombination processes. Energy flow to the heme and immediate protein environment …

myoglobin molecular dynamics simulations non equilibriumThermal fluctuationsMolecular Dynamics SimulationNitric OxideArticleAbsorptionchemistry.chemical_compoundMolecular dynamicsComputational chemistryMaterials ChemistryPhysical and Theoretical ChemistryHemePhotonsSteady stateChemistryMyoglobinPhotodissociationTemperatureSettore FIS/07 - Fisica Applicata(Beni Culturali Ambientali Biol.e Medicin)Recombinant ProteinsSurfaces Coatings and FilmsProtein Structure TertiaryMyoglobinChemical physicsMutationRelaxation (physics)Stationary stateProtein Binding
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Proteins in Amorphous Saccharides: Structural and Dynamical Insights on Bioprotection

2011

We report on experimental and simulative insights on saccharide-based bioprotection, obtained through the study of proteins embedded in amorphous saccharide matrices. The data presented come from a complementary set of techniques (FTIR, MD simulations and SAXS), which provides a description of the bioprotection mechanism from the atomistic to the macroscopic level. The results concur to draw a picture in which bioprotection by saccharides can be explained in terms of a tight anchorage of the protein surface to a stiff matrix, via extended hydrogen-bond networks, whose properties are defined by all its components, and are strongly dependent on the water content. In particular, they show how …

myoglobinMolecular DynamicTrehalosebioprotectionInfrared SpectroscopySAXSSettore FIS/07 - Fisica Applicata(Beni Culturali Ambientali Biol.e Medicin)Settore CHIM/02 - Chimica Fisica
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NANO-EMETTITORI NIR A BASE DI SILICE PER APPLICAZIONI IN-VIVO E RELATIVO PROCESSO DI PRODUZIONE

2010

Realizzazione di nano-sonde paramagnetiche e fosforescenti, ottenibili a partire da particelle nanometriche di silice mediante procedure di sintesi e arricchimento di O2 a seguito di opportuni trattamenti termici in ambiente controllato. Le nano-sonde così ottenute presentano emissioni nel vicino infrarosso (NIR), sono eccitabili nel visibile e nel NIR, e sono caratterizzate da un tempo di vita nell’ordine del secondo. Tali nano-sonde presentano un notevole potenziale scientifico e commerciale nel mercato della spettroscopia confocale per bio-imaging e nel mercato delle applicazioni medico-farmaceutiche di drug-labelling e drug-delivery.

nano siliceprobe fluorescenti probe magnetici applicazioni in vivoNano emettitoriSettore FIS/01 - Fisica Sperimentale
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As the filler influences morphology, mechanical properties and thermal degradation of a polymer

2013

nanocomposites PMMA zirconia morphology dynamic mechanical analysis thermal degradationSettore CHIM/02 - Chimica Fisica
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A new preparation method of nanolime dispersion for the conservation of artworks

2011

nanolime insolubilisationSettore CHIM/02 - Chimica Fisica
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Microwave-assisted synthesis of semiconductor nanoparticles in water/oil microemulsion

2005

Stable CdS and ZnS nanoparticles with exalted luminescence properties have been obtained in water/sodium bis (2-ethylhexyl) sulfosuccinate (AOT)/n-heptane microemulsion using microwave in order to take away selectively water molecules from microemulsion system. The nanoparticles synthesis was performed using a microwave exposure set-up opportunely assembled that allows irradiating the reactor with microwave of 2.45 GHz maintaining constant the temperature. The nanoparticles growth kinetics, as a function of irradiation time, was performed by means of UV-Vis spectroscopy. Information about the structural changes that microemulsion undergoes when irradiated with microwave was obtained by mean…

nanoparticles microwave irradiation microemulsion CdS ZnS.Settore CHIM/02 - Chimica Fisica
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Structural and Optical Properties of Novel Surfactant Coated Yb@TiO2 Nanoparticles.

2010

nanoparticles ytterbium titaniaSettore CHIM/02 - Chimica Fisica
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Dimensional control of self-structuring polyoxometalates at surfaces

2009

nanoscience polyoxometalatesSettore CHIM/02 - Chimica Fisica
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Strong field phenomena: Atoms, Molecules, Nanostructures.

nanostructureinteraction matter-radiationstrong fieldhhg; ati; multiphoton ionization; strong field; quantum rings; nanostructures; physics; interaction matter-radiation;multiphoton ionizationatiquantum ringhhgphysicSettore FIS/03 - Fisica Della Materia
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Programmable surface-architectures derived from hybrid polyoxometalate-based clusters

2011

The exploration of the self-organization of a range of the polyoxometalate-based molecular structures reveals a diverse range of surface patterns and morphologies on solid substrates of technological interest, including methylated and hydroxylated silicon surfaces (namely, SiCH3 and SiOH). By exploiting the interplay between the intrinsic molecular properties and the surface chemistry as well as dynamic spatiotemporal phenomena (e.g., dewetting), we show that these systems can yield 0D, 2D, and 3D architectures via solution deposition at the solid surface, including nanodots, discs, lamellas, porous networks, and layer-by-layer assemblies. In general, we observed that layer-by-layer growth …

nanostructurepolyoxometalatescanning probessurface architectureSettore CHIM/02 - Chimica Fisica
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