Search results for "density [astrophysics]"

showing 10 items of 561 documents

Effect of compatibilization on the photo-oxidation behaviour of polyethylene/polyamide 6 blends and their nanocomposites

2015

Abstract Polymer based nanocomposites are increasingly attracting interest from academia and industry, and the use of polymer blends as matrices greatly increase their potential field of application. In order to improve their characteristics, the use of compatibilizers acting on the blend components is mandatory. However, this also leads to rising concerns regarding the behaviour of polymer blend based nanocomposites upon being subjected to photo-oxidative degradation. It is known that morphology can deeply influence the photo-oxidative behaviour, and this can be therefore deeply influenced by the blend components and by the use of compatibilizers. In this work, polymer blend nanocomposites…

chemistry.chemical_classificationFiller (packaging)NanocompositeMaterials scienceNanocompositePolymers and PlasticsPolymerCompatibilizationPolymer blendPolyethyleneCondensed Matter PhysicsLow-density polyethylenechemistry.chemical_compoundchemistryMechanics of MaterialsPolyamideMaterials ChemistryPhoto-oxidationPolymer blendComposite materialCompatibilization
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A Molecular Electron Density Theory Study of the Reactivity of Azomethine Imine in [3+2] Cycloaddition Reactions

2017

The electronic structure and the participation of the simplest azomethine imine (AI) in [3+2] cycloaddition (32CA) reactions have been analysed within the Molecular Electron Density Theory (MEDT) using DFT calculations at the MPWB1K/6-311G(d) level. Electron localisation function (ELF) topological analysis reveals that AI has a pseudoradical structure, while the conceptual DFT reactivity indices characterise this TAC as a moderate electrophile and a good nucleophile. The non-polar 32CA reaction of AI with ethylene takes place through a one-step mechanism with low activation energy, 5.3 kcal/mol-1. A bonding evolution theory (BET) study indicates that this reaction takes place through a non-…

Models MolecularThiosemicarbazones[3+2] cycloaddition reactionsImineMolecular Conformationmolecular mechanismsazomethine iminePharmaceutical ScienceElectronsElectronic structureActivation energy010402 general chemistry01 natural sciencesArticlebonding evolution theoryAnalytical Chemistrychemistry.chemical_compoundNucleophileComputational chemistryDrug Discoveryconceptual density functional theoryMoleculeReactivity (chemistry)organic_chemistryelectron densityPhysical and Theoretical Chemistryazomethine imine; [3+2] cycloaddition reactions; molecular electron density theory; conceptual density functional theory; electron localisation function; bonding evolution theory; electron density; molecular mechanisms; chemical reactivityCycloaddition ReactionMolecular Structure010405 organic chemistrymolecular electron density theoryOrganic ChemistryCycloaddition0104 chemical scienceschemistryChemistry (miscellaneous)ElectrophileQuantum TheoryThermodynamicsMolecular MedicineDensity functional theoryImineselectron localisation functionAzo Compoundschemical reactivityMolecules; Volume 22; Issue 5; Pages: 750
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Atomic and electronic structure of the corundum (0001) surface: comparison with surface spectroscopies

1997

Abstract The electronic structure and geometry of the Al-terminated corundum (0001) surface were studied using a slab model within the ab-initio Hartree-Fock technique. The distance between the top Al plane and the next O basal plane is found to be considerably reduced on relaxation (by 0.57 A, i.e. by 68% of the corresponding interlayer distance in the bulk). An interpretation of experimental photoelectron spectra (UPS He I) and metastable impact electron spectra (MIES) is given using the calculated total density of states of the slab and the projections to the atoms, atomic orbitals, and He 1s floating atomic orbital at different positions above the surface. Calculated projected densities…

ChemistrySurfaces and InterfacesElectronic structureCondensed Matter PhysicsElectron spectroscopySpectral lineSurfaces Coatings and FilmsAtomic orbitalX-ray photoelectron spectroscopyMetastabilityPhysics::Atomic and Molecular ClustersMaterials ChemistryDensity of statesRelaxation (physics)Physics::Atomic PhysicsAtomic physicsSurface Science
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Generalized bloch equations for optical interactions in confined geometries

2005

By combining the field-susceptibility technique with the optical Bloch equations, a general formalism is developed for the investigation of molecular photophysical phenomena triggered by nanometer scale optical fields in the presence of complex environments. This formalism illustrate the influence of the illumination regime on the fluorescence signal emitted by a single molecule in a complex environment. In the saturated case, this signal is proportional to the optical local density of states, while it is proportional to the near-field intensity in the non-saturated case. (C) 2005 Elsevier B.V. All rights reserved.

PhysicsMicroscopyLocal density of statesGeneral Physics and AstronomySingle-Molecule SpectroscopyFluorescenceScaleFormalism (philosophy of mathematics)Bloch equationsQuantum mechanicsNear-FieldLight-SourceMoleculeDielectricsMaxwell-Bloch equationsPhysical and Theoretical ChemistryChemical Physics Letters
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A statistical approach for calibrating a microsimulation model for freeways

2014

In this paper the calibration of a traffic microsimulation model based on speed-density relationships is presented. Hypothesis test was applied in the calibration process to measure the closeness between empirical data and simulation outputs and determine whether the difference between (observed and simulated) speed-density relationships was statistically significant. Statistical regressions between the variables of traffic flow were developed by using traffic data observed at the A22 Brenner Freeway, Italy. Similar relationships were obtained for a test freeway segment in uncongested conditions of traffic flow by using the Aimsun microscopic simulator; thus on field conditions were reprodu…

freeway traffic microsimulation speed-density relationship calibration AimsunSettore ICAR/04 - Strade Ferrovie Ed Aeroporti
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Titania nanotubes modeled from 3- and 6-layered (101) anatase sheets: Line group symmetry and comparative ab initio LCAO calculations

2010

Abstract The formalism of line groups for one-periodic (1D) nanostructures with rotohelical symmetry has been applied for construction of TiO 2 nanotubes (NTs). They are formed by rolling up the stoichiometric two-periodic (2D) sheets cut from the energetically stable (1 0 1) anatase surface, which contains either six (O–Ti–O_O–Ti–O) or three (O–Ti–O) layers. After optimization of geometry the former keeps the centered rectangular symmetry of initial slab while the latter is spontaneously reconstructed to the hexagonal fluorite-type (1 1 1) sheet. We have considered the four sets of TiO 2 NTs with optimized 6- and 3-layered structures, which possess the two pairs of either anatase (− n , n …

NanotubeAnataseMaterials scienceBand gapAb initioNanotechnologyCondensed Matter PhysicsAtomic and Molecular Physics and OpticsElectronic Optical and Magnetic MaterialsCondensed Matter::Materials ScienceCrystallographyAb initio quantum chemistry methodsLinear combination of atomic orbitalsDensity of statesLamellar structurePhysica E: Low-dimensional Systems and Nanostructures
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Osteonecrosis of the jaws produced by sunitinib : a systematic review

2019

Background Tyrosine kinase receptor family is involved in tumor growth, pathological angiogenesis and the progression (metastasis) of cancer. Sunitinib (Sutent®) inhibits members of the tyrosine kinase receptor family affecting the induction of angiogenesis and tumor progression. It is not clear if sunitinib increases the risk of osteonecrosis of the jaws (ONJ). The aim of this study was to carry out a systematic review about ONJ related to sunitinib, describing existing cases and possible associated risk factors. Material and Methods The PubMed/MEDLINE and Cochrane Library databases were searched without date restriction up to September 2018. We included prospective and retrospective obser…

Oncologymedicine.medical_specialtyPopulationMEDLINEReviewCochrane Library03 medical and health sciences0302 clinical medicineInternal medicineSunitinibmedicineHumansProspective StudieseducationProspective cohort studyGeneral DentistryRetrospective Studieseducation.field_of_studyOral Medicine and PathologyBone Density Conservation AgentsDiphosphonatesSunitinibbusiness.industryOsteonecrosisRetrospective cohort study030206 dentistry:CIENCIAS MÉDICAS [UNESCO]Cross-Sectional StudiesDenosumabOtorhinolaryngologyUNESCO::CIENCIAS MÉDICASSurgeryObservational studybusinessmedicine.drug
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Positive density-dependent growth supports costs sharing hypothesis and population density sensing in a manipulative parasite.

2017

SUMMARYParasites manipulate their hosts’ phenotype to increase their own fitness. Like any evolutionary adaptation, parasitic manipulations should be costly. Though it is difficult to measure costs of the manipulation directly, they can be evaluated using an indirect approach. For instance, theory suggests that as the parasite infrapopulation grows, the investment of individual parasites in host manipulation decreases, because of cost sharing. Another assumption is that in environments where manipulation does not pay off for the parasite, it can decrease its investment in the manipulation to save resources. We experimentally infected rainbow trout Oncorhynchus mykiss with the immature larva…

0106 biological sciences0301 basic medicinemanipulation costsZoologypositive density-dependencepopulation density sensingparasitismiTrematode InfectionsBiology010603 evolutionary biology01 natural sciencesPopulation densityPredationHost-Parasite Interactions03 medical and health sciencesFish Diseaseskirjolohiloisethost–parasite interactionscost sharingParasite hostingAnimalsMetacercariaeEye lensPopulation DensityEcologyHost (biology)imumadotpopulaatiodynamiikkaAdaptation PhysiologicalBiological Evolutionparasitic manipulation030104 developmental biologyInfectious DiseasesPhenotypeDensity dependentLarvaOncorhynchus mykissMacroparasiteta1181Animal Science and ZoologyParasitologyRainbow troutTrematodaParasitology
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A pragmatic window of opportunity to minimise the risk of MRONJ development in individuals with osteoporosis on Denosumab therapy: a hypothesis

2021

Abstract Denosumab is associated with the development of medication-related osteonecrosis of the jaw (MRONJ), an uncommon but severe oral side effect with a higher prevalence in metastatic cancer patients than in patients with metabolic bone fragility. Although several oral triggers can initiate MRONJ, invasive oral treatments and tooth extraction still remain the most common precipitating event. In general, tooth extraction and oral surgery should be avoided in patients at increased risk of MRONJ, while extraction of non-restorable teeth should be performed based on specific risk reduction protocols to eliminate dental/periodontal infections, still protecting from MRONJ onset. Based on th…

medicine.medical_specialtySide effectOsteoporosisSpecialties of internal medicine030209 endocrinology & metabolismMRONJOral surgery tooth extraction03 medical and health sciences0302 clinical medicineOral surgeryMedication-related osteonecrosis of the jawmedicineDenosumab osteoporosis; Medication-related osteonecrosis of the jaw; MRONJ; Oral surgery tooth extraction; Denosumab; Diphosphonates; Humans; Bisphosphonate-Associated Osteonecrosis of the Jaw; Bone Density Conservation Agents; OsteoporosisHumansIntensive care medicineGeneral Dentistrytooth extractionBisphosphonate-associated osteonecrosis of the jawDiphosphonatesBone Density Conservation Agentsbusiness.industryHypothesismedicine.diseaseosteoporosisDenosumab osteoporosisBone Density Conservation Agentsstomatognathic diseasesDenosumabOtorhinolaryngologyRC581-951030220 oncology & carcinogenesisDental surgeryOral and maxillofacial surgeryBisphosphonate-Associated Osteonecrosis of the JawNeurology (clinical)DenosumabbusinessOsteonecrosis of the jawmedicine.drugHead & Face Medicine
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Odd triplet superconductivity induced by the moving condensate

2020

It has been commonly accepted that magnetic field suppresses superconductivity by inducing the ordered motion of Cooper pairs. We demonstrate that magnetic field can instead provide a generation of superconducting correlations by inducing the motion of superconducting condensate. This effect arises in superconductor/ferromagnet heterostructures in the presence of Rashba spin-orbital coupling. We predict the odd-frequency spin-triplet superconducting correlations called the Berezinskii order to be switched on at large distances from the superconductor/ferromagnet interface by the application of a magnetic field. This is shown to result in the unusual behaviour of Josephson effect and local d…

SuperconductivityPhysicsJosephson effectLocal density of statesCondensed matter physicsCondensed Matter - Mesoscale and Nanoscale PhysicsCondensed Matter - SuperconductivityFOS: Physical sciencesHeterojunction02 engineering and technology021001 nanoscience & nanotechnologyCondensed Matter::Mesoscopic Systems and Quantum Hall Effect01 natural sciencesMagnetic fieldSuperconductivity (cond-mat.supr-con)Coupling (physics)FerromagnetismCondensed Matter::SuperconductivityMesoscale and Nanoscale Physics (cond-mat.mes-hall)0103 physical sciencesCooper pair010306 general physics0210 nano-technology
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