Search results for "DERIVATIVES"

showing 10 items of 432 documents

The relaxation-time limit in the quantum hydrodynamic equations for semiconductors

2006

Abstract The relaxation-time limit from the quantum hydrodynamic model to the quantum drift–diffusion equations in R 3 is shown for solutions which are small perturbations of the steady state. The quantum hydrodynamic equations consist of the isentropic Euler equations for the particle density and current density including the quantum Bohm potential and a momentum relaxation term. The momentum equation is highly nonlinear and contains a dispersive term with third-order derivatives. The equations are self-consistently coupled to the Poisson equation for the electrostatic potential. The relaxation-time limit is performed both in the stationary and the transient model. The main assumptions are…

PhysicsIndependent equationApplied MathematicsGlobal relaxation-time limitQuantum hydrodynamic equationsEuler equationsMomentumNonlinear systemsymbols.namesakeClassical mechanicsThird-order derivativesMaster equationQuantum drift–diffusion equationssymbolsMethod of quantum characteristicsPoisson's equationQuantum dissipationAnalysisJournal of Differential Equations
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Fractional-order theory of heat transport in rigid bodies

2014

Abstract The non-local model of heat transfer, used to describe the deviations of the temperature field from the well-known prediction of Fourier/Cattaneo models experienced in complex media, is framed in the context of fractional-order calculus. It has been assumed (Borino et al., 2011 [53] , Mongiovi and Zingales, 2013 [54] ) that thermal energy transport is due to two phenomena: ( i ) A short-range heat flux ruled by a local transport equation; ( ii ) A long-range thermal energy transfer proportional to a distance-decaying function, to the relative temperature and to the product of the interacting masses. The distance-decaying function is assumed in the functional class of the power-law …

PhysicsNumerical AnalysisField (physics)business.industryApplied MathematicsFractional derivatives; Fractional-order calculus; Fractional-order derivatives; Generalized entropies; Molecular dynamics simulations; Nonlocal; Relative temperatures; Thermal energy transportThermodynamicsContext (language use)Fractional derivativeFractional-order calculuFractional calculusRelative temperatureHeat fluxModeling and SimulationHeat transferGeneralized entropieMolecular dynamics simulationFractional-order derivativeBoundary value problembusinessConvection–diffusion equationNonlocalSettore ICAR/08 - Scienza Delle CostruzioniThermal energyThermal energy transport
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Fractional-Order Theory of Thermoelasticity. II: Quasi-Static Behavior of Bars

2018

This work aims to shed light on the thermally-anomalous coupled behavior of slightly deformable bodies, in which the strain is additively decomposed in an elastic contribution and in a thermal part. The macroscopic heat flux turns out to depend upon the time history of the corresponding temperature gradient, and this is the result of a multiscale rheological model developed in Part I of the present study, thereby resembling a long-tail memory behavior governed by a Caputo's fractional operator. The macroscopic constitutive equation between the heat flux and the time history of the temperature gradient does involve a power law kernel, resulting in the anomaly mentioned previously. The interp…

PhysicsWork (thermodynamics)Order theoryStrain (chemistry)Anomalous heat transferMechanical EngineeringMathematical analysisFractional derivatives02 engineering and technologyFractional derivative01 natural sciencesFractional calculusAnomalous thermoelasticity010101 applied mathematicsMultiscale hierarchical heat conductorsMultiscale hierarchical heat conductor020303 mechanical engineering & transports0203 mechanical engineeringMechanics of MaterialsMechanics of Material0101 mathematicsSettore ICAR/08 - Scienza Delle CostruzioniQuasistatic process
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Structural Approaches to Explain the Selectivity of COX-2 Inhibitors: Is There a Common Pharmacophore?

2000

The identification and characterisation of the isoenzyme cyclooxygenase 2 (COX-2) stimulated investigations to develop efficient non-steroidal anti-inflammatory drugs with reduced side effects compared to standard NSAIDs. This review will focus on the structural features needed to achieve COX-2 selectivity. Five structural classes can be identified together with a class bearing little or no resemblance to one another in their molecular structure. The most interesting point is the very distinct structure/activity relationship. On the one hand only minor modifications to a particular compound induce a drastic change in its COX selectivity and on the other hand the structural prerequisites in …

Polarity (physics)StereochemistryComputational biologyBiochemistryPyrrole derivativesStructure-Activity RelationshipProstaglandin-Endoperoxide SynthaseDrug DiscoverymedicineAnimalsHumansCyclooxygenase InhibitorsPharmacologyCyclooxygenase 2 InhibitorsMolecular StructureChemistryAnti-Inflammatory Agents Non-SteroidalOrganic ChemistryMembrane ProteinsRecombinant ProteinsIsoenzymesMechanism of actionCyclooxygenase 2Prostaglandin-Endoperoxide SynthasesBenzene derivativesLipophilicityMolecular Medicinemedicine.symptomPharmacophoreSelectivityCurrent Medicinal Chemistry
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The Seasonality Impact of the BTEX Pollution on the Atmosphere of Arad City, Romania

2021

Benzene, toluene, and total BTEX (benzene, toluene, ethylbenzene, and xylene) concentrations registered for one year (2016) have been determined every month for one high-density traffic area. The assessment was performed in Arad City, Romania, to evaluate these pollutants and their influence on the inhabitants’ health. The contaminants were sampled using a static sampling method and analyzed by gas chromatography coupled with mass spectrometry. Benzene was the most dominant among the BTEX compounds—the average concentrations ranged from 18.00 ± 1.32 µg m−3 in December to 2.47 ± 0.74 µg m−3 in August. The average toluene concentration over the year was 4.36 ± 2.42 µg m−3 (with a maximum of 9…

Pollution010504 meteorology & atmospheric sciencesHealth Toxicology and Mutagenesismedia_common.quotation_subjectair pollutionAir pollutionBTEX010501 environmental sciencesXylenesmedicine.disease_cause01 natural sciencesArticleGas Chromatography-Mass Spectrometrychemistry.chemical_compoundmotor vehiclesurban airmedicineBenzene DerivativesCitiesBenzeneAir quality index0105 earth and related environmental sciencesmedia_commonAir PollutantsAtmosphereRomaniaXylenePublic Health Environmental and Occupational HealthRBenzeneSeasonalitymedicine.diseaseToluenechemistryEnvironmental chemistryEnvironmental scienceMedicinehealth impactBTEXEnvironmental MonitoringTolueneInternational Journal of Environmental Research and Public Health
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Determining exhaust fumes exposure in chainsaw operations

2016

Abstract The objective of this study was to investigate the inhalation exposure of forest operators to polycyclic aromatic hydrocarbons (PAHs) and BTEX (benzene, toluene, ethylbenzene and total xylenes) contained in the exhaust fumes released from chainsaws and to suggest possible countermeasures. The study was carried out in four silvicultural treatments (coppice clearcut, conifer thinning, conifer pruning, and sanitary cut), using three types of chainsaw fuel (normal two-stroke petrol mix and two alkylate fuels). Eighty personal air samples were collected; IOM samplers combined with Amberlite XAD-2 sorbent tubes were used for collecting PAHs and Radiello® samplers were used for BTEX. Resu…

PollutionMaleHealth Toxicology and Mutagenesismedia_common.quotation_subjectXyleneBTEXXylenes010501 environmental sciencesToxicology01 natural sciencesEthylbenzene03 medical and health scienceschemistry.chemical_compoundBenzene Derivative0302 clinical medicineOccupational ExposureBenzene DerivativesHumansExhaust fumesGasolinePolycyclic Aromatic HydrocarbonsBenzeneSettore AGR/06 - Tecnologia Del Legno E Utilizzazioni ForestaliVehicle Emissions0105 earth and related environmental sciencesmedia_commonAlkylate fuels Chainsaw exhaust fumeInhalation exposureInhalation ExposureBenzeneForestryGeneral MedicinePAH030210 environmental & occupational healthPollutionForest operator inhalation exposurechemistryItalyEnvironmental chemistryOccupational exposureGasolineEnvironmental MonitoringBTEXHumanToluene
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PEG-based Multifunctional Polyethers with Highly Reactive Vinyl-Ether Side Chains for Click-Type Functionalization

2011

Introduction of highly reactive vinyl ether moieties along a poly(ethylene-glycol) (PEG) backbone has been realized by copolymerization of the novel epoxide monomer ethoxy vinyl glycidyl ether (EVGE) with ethylene oxide (EO). A series of copolymers with varying structure (block and random) as well as EVGE comonomer content (5-100%) with molecular weights in the range of 3,900-13,200 g/mol and narrow molecular weight distributions (M-w/M-n = 1.06-1.20) has been synthesized and characterized with respect to their microstructure and thermal properties. The facile transformation of the vinyl ether side chains in click type reactions was verified by two different post polymerization modification…

Polymers and PlasticsCyanideEpoxideRing-opening polymerizationPolymerizationInorganic Chemistrychemistry.chemical_compoundThiolsPolymer chemistryMaterials ChemistrymedicineOrganic chemistryPoly(Ethylene Glycol) CopolymersOxide)Ethylene oxideMonomersOrganic Chemistrytechnology industry and agricultureVinyl etherAnionic addition polymerizationchemistryPolymerizationGlycidolBlock-CopolymersFree-Radical AdditionAlkoxy groupEthylene glycolDerivativesmedicine.drugMacromolecules
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HPMA-Based Nanoparticles for Fast, Bioorthogonal iEDDA Ligation

2019

Contains fulltext : 216143.pdf (Publisher’s version ) (Open Access) Fast and bioorthogonally reacting nanoparticles are attractive tools for biomedical applications such as tumor pretargeting. In this study, we designed an amphiphilic block copolymer system based on HPMA using different strategies to introduce the highly reactive click units 1,2,4,5-tetrazines (Tz) either at the chain end (Tz-CTA) or statistical into the hydrophobic block. This reactive group undergoes a rapid, bioorthogonal inverse electron-demand Diels-Alder reaction (iEDDA) with trans-cyclooctenes (TCO). Subsequently, this polymer platform was used for the preparation of different Tz-covered nanoparticles, such as micell…

Polymers and PlasticsNanoparticleBioengineeringFluorescence correlation spectroscopy02 engineering and technologyConjugated system010402 general chemistry01 natural sciencesMicelleArticleBiomaterialsAmphiphileMaterials ChemistryCopolymerBenzene DerivativesColloidsMicellesPretargetingAza CompoundsCycloaddition ReactionChemistryOther Research Radboud Institute for Health Sciences [Radboudumc 0]021001 nanoscience & nanotechnologyCombinatorial chemistry0104 chemical sciencesCross-Linking ReagentsMethacrylatesNanoparticlesClick ChemistryBioorthogonal chemistry0210 nano-technology
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Synthesis of Triazenoazaindoles: a New Class of Triazenes with Antitumor Activity

2011

Despite improvements in the treatment and prevention of cancer, the number of new diagnoses continues to rise; this has fuelled substantial interest in the development of new and effective chemotherapeutic agents. Compounds of the triazene class, such as dacarbazine, have been used in the clinical management of many cancer types including brain, leukemia, and melanoma. A new compound class bearing a triazenoazaindole scaffold was synthesized with the aim of identifying new antiproliferative agents. Compounds 5 a-g and 6 a-c were screened against a panel of human tumor cell lines, and two of them, 5 e and 5 f, showed cytotoxicity (GI(50) range: 2.2-8.2 μM) in all cell lines. These two compou…

Programmed cell deathIndolesToxicology and Pharmaceutics (all)DacarbazineAntineoplastic AgentsAntiproliferative activityPharmacologyEGF receptorsDrug Screening AssaysBiochemistryCell LineFlow cytometryCell Line TumorNeoplasmsDrug DiscoveryTriazenoazaindolemedicineHumansTriazeno derivativesGeneral Pharmacology Toxicology and PharmaceuticsCytotoxicityPharmacologyAntitumor agentsTumorEpidermal Growth Factormedicine.diagnostic_testChemistryMelanomaOrganic ChemistryCancerAntitumorTriazenoazaindoles; Dacarbazine; Antitumor Activitymedicine.diseaseErbB ReceptorsDacarbazineApoptosisCell cultureMolecular MedicineDrug Screening Assays AntitumorAntitumor ActivityTriazenesTriazenoazaindolesAntiproliferative activity; Antitumor agents; EGF receptors; Triazeno derivatives; Antineoplastic Agents; Cell Line Tumor; Dacarbazine; Drug Screening Assays Antitumor; Humans; Indoles; Neoplasms; Receptor Epidermal Growth Factor; Triazenes; Pharmacology Toxicology and Pharmaceutics (all); Organic Chemistry; Molecular MedicineReceptormedicine.drugChemMedChem
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Antioxidant Bibenzyl Derivatives from Notholaena nivea Desv.

2011

Four new bibenzyl derivatives were isolated, together with other known bibenzyls, by bioassay-guided fractionation of a CHCl3-MeOH extract of Notholaena nivea Desv. (Pteridaceae) aerial parts. The structures were elucidated by NMR, ESIMS and other spectral analyses. Their antioxidative effects towards superoxide, lipidic peroxidation and the 2,2'- azino-bis-3- ethilbenzothiazoline-6-sulfonic acid (ABTS) radical were assayed. Results showed that the compound 3,12-dihydroxy-5-methoxybibenzyl (6) is the most active compound in the ABTS free-radical scavenging test, while in the coupled oxidation of ȕ-carotene and linoleic acid assay the compound 5,12-dihydroxy-3-methoxydibenzyl-6- carboxylic a…

PteridaceaeSpectrometry Mass Electrospray IonizationMagnetic Resonance SpectroscopyAntioxidantStereochemistrymedicine.medical_treatmentLinoleic acidNatural products active principles oxidative stress.Pharmaceutical ScienceArticleAntioxidantsAnalytical Chemistrylcsh:QD241-441chemistry.chemical_compoundlcsh:Organic chemistryDrug DiscoverymedicineBibenzylPhysical and Theoretical Chemistrychemistry.chemical_classificationABTSbiologyPlant Extractsbibenzyl derivativesSuperoxideOrganic ChemistryNotholaenabiology.organism_classificationNMR<em>Notholaena nivea</em>; bibenzyl derivatives; NMR; antioxidants activityEnzymechemistryBiochemistryChemistry (miscellaneous)PteridaceaeMolecular MedicineNotholaena niveaantioxidants activityMolecules
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