Search results for "kinetics"

showing 10 items of 2224 documents

Is the special pair structure a good strategy for the kinetics during the last step of the energy transfer with the nearest antenna? A chemical model…

2013

A cofacial bis(Mg(II)porphyrin)-C(6)H(4)-free base ([Mg(2)]-bridge-FB) dyad shows S(1) energy transfer in both directions and much slower rates than similar monoporphyrin systems are observed.

Molecular StructureMetalloporphyrinsEnergy transferKineticsMetals and AlloysStructure (category theory)General ChemistryPorphyrinMolecular physicsCatalysisSurfaces Coatings and FilmsElectronic Optical and Magnetic MaterialsBase (group theory)chemistry.chemical_compoundKineticsZincchemistryEnergy TransferModels ChemicalComputational chemistryMaterials ChemistryCeramics and CompositesMoleculeMagnesiumAntenna (radio)Chemical communications (Cambridge, England)
researchProduct

Quantitative Analysis of the Interactions of Metal Complexes and Amphiphilic Systems: Calorimetric, Spectroscopic and Theoretical Aspects.

2022

Metals and metal-based compounds have many implications in biological systems. They are involved in cellular functions, employed in the formation of metal-based drugs and present as pollutants in aqueous systems, with toxic effects for living organisms. Amphiphilic molecules also play important roles in the above bio-related fields as models of membranes, nanocarriers for drug delivery and bioremediating agents. Despite the interest in complex systems involving both metal species and surfactant aggregates, there is still insufficient knowledge regarding the quantitative aspects at the basis of their binding interactions, which are crucial for extensive comprehension of their behavior in sol…

Molecular dynamics simulationsSpeciationCalorimetryBiochemistryBiological membraneAmphiphilic systemsKineticsMetal complexesSpectrophotometrySettore CHIM/03 - Chimica Generale E InorganicaCoordination ComplexesMetalsSolution thermodynamicsDensity functional theory calculationsDrug deliveryIsothermal titration calorimetryThermodynamicsMolecular Biologymetal complexes; amphiphilic systems; drug delivery; biological membrane; solution thermodynamics; speciation; isothermal titration calorimetry; spectrophotometry; molecular dynamics simulations; density functional theory calculationsBiomolecules
researchProduct

Reactivity of Neutral Mo(S2C6H4)3 in Aqueous Media: an Alternative Functional Model of Sulfite Oxidase.

2009

The kinetics of the reaction of neutral [Mo(S2C6H4)3] with hydrogen sulfite to produce the anionic Mo(V) complex, [Mo(S2C6H4)3]-, and sulfate have been investigated. It has been shown that [Mo(S2C6H4)3] acts as the electron-proton sink in the oxygenation reaction of HSO3(-) by water. Reaction rates, monitored by UV/vis stopped-flow spectrometry, were studied in THF/water media as a function of the concentration of HSO3(-) and molybdenum complex, pH, ionic strength, and temperature. The reaction exhibits pH-dependent HSO3(-) saturation kinetics, and it is first-order in complex concentration. The kinetic data and MS-ESI spectra are consistent with the formation of [Mo O(S2C6H4)2(S2C6H5)]- (1…

MolybdenumSpectrometry Mass Electrospray IonizationHydrogenSulfite OxidaseKineticsInorganic chemistryWaterchemistry.chemical_elementHydrogen-Ion ConcentrationAdductInorganic ChemistryReaction rateKineticschemistry.chemical_compoundchemistrySulfiteIonic strengthMolybdenumSulfite oxidaseOrganometallic CompoundsSulfitesSulfhydryl CompoundsPhysical and Theoretical ChemistryFuransInorganic Chemistry
researchProduct

Análisis cinético y cinemático de las articulaciones del mediopié durante la marcha en sujetos sanos: consideraciones clínicas

2016

Introducción: No existe todavía suficiente evidencia en estudios clínicos respecto al comportamiento del mediopié en situaciones dinámicas como la marcha o la carrera. El presente estudio pretende analizar el comportamiento mecánico de las articulaciones del mediopié mediante un modelo multisegmental del pie, con especial atención a los momentos articulares y sus repercusiones clínicas. Sujetos y métodos: Se realizó un estudio computarizado de la marcha sobre 30 sujetos adultos sanos (27,13 ± 3,82 a˜nos) con un índice de postura del pie (FPI) neutro (entre 0 y +5). Se estimaron los ángulos y momentos articulares externos en 3 dimensiones mediante un modelo que considera 3 segmentos (antepié…

Momentos del mediopiéMovimiento del mediopiéKinematicsArticulaciones del mediopiéMidfoot joints movementMidfoot joints moments030229 sport sciencesGeneral MedicineMarchaMidfoot jointsCinéticaKinetics03 medical and health sciences0302 clinical medicineStance phaseFase de apoyoCinemáticaGait030217 neurology & neurosurgeryRevista Española de Podología
researchProduct

Positron Annihilation in Metals Defected by Action of the Tensile Force

2006

Results of experimental investigations of uniaxially elongated mono- and polycrystalline samples of several metals (Fe, Ta, Pd, Ag, and Au), performed using the positron annihilation methods, are reviewed. The dependences of the S-parameters and positron lifetimes on the relative elongation of the samples were presented. The data obtained for polycrystalline samples indicate that in the proportionality and limited proportionality regions the changes in the physical properties are governed mainly by generation of vacancies and by kinetics of formation and transformations of vacancy clusters occurring flrst of all on the grain boundaries of monocrystallites. In the region of plastic deformati…

Monocrystalline siliconCondensed Matter::Materials SciencePositronMaterials scienceCondensed matter physicsVacancy defectKineticsGeneral Physics and AstronomyGrain boundarySlip (materials science)CrystalliteElongationActa Physica Polonica A
researchProduct

Reversible Dioxygen Binding and Phenol Oxygenation in a Tyrosinase Model System

2000

The complex [Cu2(L-66)]2+ (L-66 = a,a'-bis¿bis[2-(1'-methyl-2'-benzimidazolyl)ethyl]amino¿-m-xylene) undergoes fully reversible oxygenation at low temperature in acetone. The optical [lambda(max) = 362 (epsilon 15000), 455 (epsilon 2000), and 550 nm (epsilon 900M(-1)cm(-1))] and resonance Raman features (760 cm(-1), shifted to 719cm(-1)(-1) with 18O2) of the dioxygen adduct [Cu2(L-66)(O2)]2+ indicate that it is a mu-eta2:eta2-peroxodicopper(II) complex. The kinetics of dioxygen binding, studied at - 78 degrees C, gave the rate constant k1 = 1.1M(-1) 5(-1) for adduct formation, and k(-1) =7.8 x 10(-5)s(-1), for dioxygen release from the Cu2O2 complex. From these values, the O2 binding consta…

Monophenol MonooxygenaseChemistrySpectrophotometry AtomicTyrosinaseOrganic ChemistryKineticsGeneral ChemistryResonance (chemistry)PhotochemistryMedicinal chemistryBinding constantCatalysisQuinoneAdductOxygenchemistry.chemical_compoundReaction rate constantModels ChemicalPhenolsAcetoneOxidation-ReductionChemistry - A European Journal
researchProduct

Contribution to the study of framework modification of SAPO-34 and SAPO-37 upon water adsorption by thermogravimetry

1999

Abstract The adsorption–desorption of water vapor in SAPO-34 and SAPO-37 is followed in isobar conditions ( P H 2 O =17.6 mbar ) by thermogravimetry at temperatures from 20°C to 400°C. The phenomenon is reversible in SAPO-34 but not in SAPO-37. The rise in water uptake is the highest at around 60–70°C, i.e. in range where an attack of the frameworks was previously reported. The reversibility (or not) of water adsorption–desorption uptake is linked to this reversible (or not) framework modification. The kinetics of desorption in SAPO-34 is strongly slowed down between 40°C and 60°C. This suggests that the full restructuration of the framework requires some time (700 min in the experimental c…

Morphology (linguistics)ChemistryKineticsAnalytical chemistryCondensed Matter Physicslaw.inventionThermogravimetryAdsorptionChemical engineeringlawDesorptionIsobarPhysical and Theoretical ChemistryElectron microscopeInstrumentationWater vaporThermochimica Acta
researchProduct

Vapor phase epitaxy of Hg1−xCdxI2 layers on CdTe substrates

1997

Vapor phase epitaxy (VPE) has been studied to grow Hg1 − xCdxI2 epitaxial layers on CdTe bulk substrates. The effect of the VPE growth conditions on the morphology, composition and crystalline quality of Hg1 − xCdxI2CdTe heterostructures has been investigated. It has been shown that 10–30 μm thick Hg1 − xCdxI2 layers can be successfully grown using an α-HgI2 polycrystalline source under isothermal conditions at a temperature in the range 170–240°C for the time period 20–50 h. Interestingly, the VPE growth was found to consist of two successiv stages with different kinetics as follows: (1) a fast growth of an HgI2 platelet layer on the CdTe substrate surface and (2) a slow growth of an Hg1 −…

Morphology (linguistics)ChemistryStereochemistryKineticsAnalytical chemistryHeterojunctionCondensed Matter PhysicsEpitaxyIsothermal processCadmium telluride photovoltaicsInorganic ChemistryMaterials ChemistryCrystalliteLayer (electronics)Journal of Crystal Growth
researchProduct

Phenomenological approach to compare the crystallization kinetics of isotactic polypropylene and polyamide-6 under pressure

2001

Reliable experimental data for semicrystalline polymers crystallized under pressure are supplied on the basis of a model experiment in which drastic solidification conditions are applied. The influence of the pressure and cooling rate on some properties, such as the density and microhardness, and on the product morphology, as investigated with wide-angle X-ray scattering (WAXS), is stressed. Results for isotactic polypropylene (iPP) samples display a lower density and a lower microhardness with increasing pressure over a wide range of cooling rates (from 0.01 to 20 °C/s). Polyamide-6 (PA6) samples exhibit the opposite behavior, with the density and microhardness increasing at higher pressur…

Morphology (linguistics)Materials sciencePolymers and PlasticsThermodynamicsIndentation hardnessCrystallinityPhase (matter)TacticityPolymer chemistryMaterials ChemistryPressurePolyamides (PA6)Physical and Theoretical Chemistrychemistry.chemical_classificationSettore ING-IND/24 - Principi Di Ingegneria ChimicaScatteringCooling rateSettore ING-IND/34 - Bioingegneria IndustrialePolymerCondensed Matter PhysicsKineticsSettore ING-IND/22 - Scienza E Tecnologia Dei MaterialichemistryPolyamidePoly(propylene) (PP)Crystallization
researchProduct

Mechanochemical synthesis of inorganic halide perovskites: evolution of phase-purity, morphology, and photoluminescence

2019

Dry mechanochemical ball-milling of halide precursor salts is a promising route for the synthesis of high-purity halide perovskites in a fast and solvent-free manner. However, there is a lack of information on the process mechanisms, kinetics, and possible side-effects. Here, we investigated in detail the mechanochemical synthesis of fully-inorganic CsPbBr3 by ball-milling of stoichiometric CsBr and PbBr2. Detailed structural, morphological and optical analyses reveal several beneficial and detrimental effects of milling as a function of time. Three stages are identified during the process: (i) at short milling times (t < 5 min) different ternary compounds are formed, including stoichiometr…

Morphology (linguistics)PhotoluminescenceMaterials scienceKineticsHalide02 engineering and technologyGeneral Chemistry010402 general chemistry021001 nanoscience & nanotechnology01 natural sciences0104 chemical sciencesChemical engineeringNano-Materials Chemistry0210 nano-technologyTernary operationMaterialsStoichiometryPhase purityJournal of Materials Chemistry C
researchProduct