Search results for "Models"

showing 10 items of 8211 documents

Increased immunosuppressive function of CD4(+)CD25(+)Foxp3(+)GITR+ T regulatory cells from NFATc2((-/-)) mice controls allergen-induced experimental …

2012

The expansion of effector T cells is tightly controlled by transcription factors like nuclear factor of activated T cells (NFAT) family members that mediate early intracellular responses to T cell receptor-mediated signals. In this study we show that, after allergen challenge, NFATc2((-/-)) mice had augmented number of functionally intact CD4(+)CD25(++)GITR(++) T regulatory (T regs) cells in the lung. Anti-GITR antibody treatment inhibited T regulatory cell function and enhanced the number of activated lung CD4(+) T cells associated with increased IL-2 and pSTAT-5 in the airways of NFATc2((-/-)) mice in experimental allergic asthma. This agonistic treatment led to increased inflammation in …

NFATC2T cellImmunologyInflammationBiologyT-Lymphocytes RegulatoryInterleukin 21MiceTh2 CellsGlucocorticoid-Induced TNFR-Related ProteinmedicineImmunology and AllergyAnimalsIL-2 receptorLungImmunosuppression TherapyMice KnockoutNFATC Transcription FactorsInterleukin-2 Receptor alpha SubunitFOXP3NFATForkhead Transcription FactorsHematologyAllergensAsthmarespiratory tract diseasesDisease Models Animalmedicine.anatomical_structureImmunologyCD4 Antigensbiology.proteinCytokinesTh17 CellsFemalemedicine.symptomAntibodySpleenImmunobiology
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Fusion of the

2015

Chronic obstructive pulmonary disease, COPD, affects the condition of the entire human organism and causes multiple comorbidities. Pathological lung changes lead to quantitative changes in the composition of the metabolites in different body fluids. The obstructive sleep apnea syndrome, OSAS, occurs in conjunction with chronic obstructive pulmonary disease in about 10–20 % of individuals who have COPD. Both conditions share the same comorbidities and this makes differentiating them difficult. The aim of this study was to investigate whether it is possible to diagnose a patient with either COPD or the OSA syndrome using a set of selected metabolites and to determine whether the metabolites t…

NMR spectroscopyOriginal ArticleChronic obstructive pulmonary disease (COPD)ChemometricsObstructive sleep apnea syndrome (OSAS)Discriminant modelsrespiratory tract diseasesMetabolomics : Official journal of the Metabolomic Society
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The role of landscape, topography, and geodiversity in explaining vascular plant species richness in a fragmented landscape

2016

We explained vascular plant species richness patterns in a 286 km(2) fragmented landscape with a notable human influence. The objective of this study was two-fold: to test the relative importance of landscape, topography and geodiversity measures, and to compare three different landscape-type variables in species richness modeling. Moreover, we tested if results differ when only native species are considered. We used generalized linear modeling based variation partitioning and generalized additive models with different explanatory variable sets. Landscape and topography explained the majority of the variation but the relative importance of topography and geodiversity was higher in explainin…

NORTHERN FINLANDLAND-COVER DATAspecies diversityspecies richness modelingDIVERSITYGENERALIZED LINEAR-MODELSENVIRONMENTAL HETEROGENEITYCLASSIFICATIONgeodiversiteettitopografiaputkilokasvitPATTERNSDISTRIBUTIONSBIODIVERSITYfragmented landscapeSCALE1172 Environmental sciences
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Recovering ammonium by treated and untreated zeolitic mixtures: A comprehensive experimental and modelling study

2023

The recovery of ammonium (NH4+) from aqueous solutions by zeolite is attractive. In this study, the physicalchemistry of NH4+ adsorption process from aqueous solution by two zeolitic mixtures, either treated or not treated with NaCl, was assessed. Results suggested that the zeolitic mixture richer in mordenite and with high specific surface area adsorbed more NH4+ than the one richer in clinoptilolite and heulandite showing a lower specific surface area. NaCl treatment increased the amount of NH4+ adsorbed by the zeolitic mixtures. The higher amount of NH4+ adsorbed by the zeolitic mixtures treated with NaCl was explained by the low/high density water model accounting for cation exchange am…

NaCl treatmentSettore ICAR/03 - Ingegneria Sanitaria-AmbientaleMechanics of MaterialsSettore AGR/13 - Chimica AgrariaGeneral Materials ScienceGeneral ChemistryZeolites mineralogyIsotherm modelsCondensed Matter PhysicsAmmonium removalKinetics model
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Biomolecular conjugation inside synthetic polymer nanopores via glycoprotein-lectin interactions

2011

We demonstrate the supramolecular bioconjugation of concanavalin A (Con A) protein with glycoenzyme horseradish peroxidase (HRP) inside single nanopores, fabricated in heavy ion tracked polymer membranes. Firstly, the HRP-enzyme was covalently immobilized on the inner wall of the pores using carbodiimide coupling chemistry. The immobilized HRP-enzyme molecules bear sugar (mannose) groups available for the binding of Con A protein. Secondly, the bioconjugation of Con A on the pore wall was achieved through its biospecific interactions with the mannose residues of the HRP enzyme. The immobilization of biomolecules inside the nanopore leads to the reduction of the available area for ionic tran…

NanometresSynthetic membraneTransport equationNanoporesInformation processingRectification propertiesCylinders (shapes)Materials TestingConcanavalin AGeneral Materials ScienceFunctional polymersConical nanoporeschemistry.chemical_classificationChemistryBlocking effectElectric rectifiersComputer simulationEnzymesData processingNanoporeEnzyme moleculesFunctional polymersMolecular imprintingPorosityBio-molecularInner wallsMolecular imprintingSupramolecular chemistryNanotechnologyHorseradish peroxidaseIonic transportsNanocapsulesBio-conjugationMoleculeParticle SizeAqueous solutionsGlycoproteinsBiomoleculesBioconjugationBiomoleculeNanostructuresModel simulationChemical engineeringModels ChemicalPolymer membraneConductance stateFISICA APLICADABiospecific interactionSynthetic polymersSugarsSupramolecular chemistryPore wallCarbodiimide-coupling chemistry
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Single cigar-shaped nanopores functionalized with amphoteric amino acid chains: experimental and theoretical characterization.

2012

We present an experimental and theoretical characterization of single cigar-shaped nanopores with pH-responsive carboxylic acid and lysine chains functionalized on the pore surface. The nanopore characterization includes (i) optical images of the nanostructure obtained by FESEM; (ii) different chemical procedures for the nanopore preparation (etching time and functionalizations; pH and electrolyte concentration of the external solution) allowing externally tunable nanopore responses monitored by the current-voltage (I-V) curves; and (iii) transport simulations obtained with a multilayer nanopore model. We show that a single, approximately symmetric nanopore can be operated as a reconfigurab…

NanoporeRe-configurablePHAmino acid chainsEtching timeElectrical signalCarboxylic AcidsGeneral Physics and AstronomyFunctionalizationsElectrolytePore surfaceElectrochemistryFunctionalizedCarboxylic acidOptical imageNanoporesElectric conductivityI - V curveElectrochemistryGeneral Materials ScienceTheoretical modelRectifying behaviorsFundamental conceptsRectifying propertiesSurface propertyGeneral EngineeringHydrogen-Ion ConcentrationCigar-shaped nanoporeCharacterization (materials science)Data processingChemistryNanoporeAmino acidsIon channelTransport simulationIodineLogic functionsNanostructureMaterials scienceLogicSurface PropertiesCharacterizationNanotechnologyTunabilitiesArticleDrug controlled releaseElectrical resistivity and conductivityEtchingTransport processPH-responsiveCurrent voltage curveDiodeChemical proceduresCarboxylic acidsLysineElectric ConductivityModels TheoreticalGeometrical opticsNanostructuresAmphoteric amino acid chainsCurrent-voltage curvesExternal solutionsFISICA APLICADAElectrolyte concentrationACS nano
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Molecular dynamics simulations of capillary rise experiments in nanotubes coated with polymer brushes.

2007

The capillary filling of a nanotube coated with a polymer brush is studied by molecular dynamics simulations of a coarse-grained model, assuming various conditions for the fluid-wall and fluid-brush interactions. Whereas the fluid is modeled by simple point particles interacting with Lennard-Jones forces, the (end-grafted, fully flexible) polymers that form the brush coating are described by a standard bead-spring model. Our experiments reveal that capillary filling is observed even for walls that would not be wetted by the fluid, provided the polymer brush coating itself wets. Generally, it is found that the capillary rise always proceeds through a t1/2 law with time t while the underlying…

NanotubeCapillary actionPolymersSurface PropertiesNanotechnologyengineering.materialPolymer brushMolecular dynamicsCoatingElectrochemistryGeneral Materials ScienceComputer SimulationParticle SizeSpectroscopychemistry.chemical_classificationNanotubesDrop (liquid)Surfaces and InterfacesPolymerCondensed Matter PhysicsKineticschemistryModels ChemicalChemical physicsengineeringPorous mediumCapillary ActionLangmuir : the ACS journal of surfaces and colloids
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Launching propagating surface plasmon polaritons by a single carbon nanotube dipolar emitter.

2011

International audience; We report on the excitation of propagating surface plasmon polaritons in thin metal films by a single emitter. Upon excitation in the visible regime, individual semiconducting single-walled carbon nanotubes are shown to act as directional near-infrared point dipole sources launching propagating surface plasmons mainly along the direction of the nanotube axis. Plasmon excitation and propagation is monitored in Fourier and real space by leakage radiation microscopy and is modeled by rigorous theoretical calculations. Coupling to plasmons almost completely reshapes the emission of nanotubes both spatially and with respect to polarization as compared to photoluminescence…

NanotubeMaterials scienceLightPhysics::OpticsBioengineering02 engineering and technologyCarbon nanotube7. Clean energy01 natural sciencesMolecular physicslaw.invention010309 opticsCondensed Matter::Materials Sciencelaw0103 physical sciencesMaterials TestingScattering RadiationGeneral Materials ScienceComputer Simulation[SPI.NANO]Engineering Sciences [physics]/Micro and nanotechnologies/MicroelectronicsParticle SizePlasmonbusiness.industryMechanical EngineeringSurface plasmonGeneral ChemistrySurface Plasmon Resonance021001 nanoscience & nanotechnologyCondensed Matter PhysicsPolarization (waves)Surface plasmon polaritonNanostructuresOptical properties of carbon nanotubesModels ChemicalMetalsOptoelectronics[ SPI.NANO ] Engineering Sciences [physics]/Micro and nanotechnologies/Microelectronics0210 nano-technologybusinessExcitationNano letters
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OH-functionalized open-ended armchair single-wall carbon nanotubes (SWCNT) studied by density functional theory

2011

The structures of ideal armchair (5,5) single-wall carbon nanotubes (SWCNTs) of different lengths (3.7, 8.8, and 16.0 A for C40H20, C80H20, and C140H20) and with 1–10 hydroxyl groups at the end of the nanotube were fully optimized at the B3LYP/3-21G level, and in some cases at the B3LYP/6-31G* level, and the energy associated with the attachment of the OH substituent was determined. The OH-group attachment energy was compared with the OH functionalization of phenanthrene and picene models and with previous results for zigzag (9.0) SWCNT systems. In comparison to zigzag SWCNTs, the armchair form is more (by about 5 to 10 kcal mol−1) reactive toward hydroxylation. Figure The structures of ide…

NanotubeMaterials scienceSubstituentchemistry.chemical_elementCarbon nanotubeHydroxylationSpectrum Analysis RamanDFTHydroxylation energyCatalysislaw.inventionInorganic Chemistrychemistry.chemical_compoundlawComputational chemistryPhysical and Theoretical ChemistryArmchair SWCNTOriginal PaperHydroxyl RadicalNanotubes CarbonOH functionalizationOrganic ChemistryCarbonComputer Science ApplicationsCrystallographyModels ChemicalComputational Theory and MathematicschemistryPiceneZigzagSurface modificationDensity functional theoryEnd substitutionCarbonJournal of Molecular Modeling
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Theoretical demonstration of the potentiality of boron nitride nanotubes to encapsulate anticancer molecule.

2015

Anticancer drug transport is now becoming an important scientific challenge since it would allow localizing the drug release near the tumor cell, avoiding secondary medical effects. We present theoretical results, based on density functional theory and molecular dynamics simulations, which demonstrate the stability of functionalized single (10,10) boron nitride nanotubes (BNNTs) filled with anticancer molecule such as carboplatin (CPT). For this functionalized system we determine the dependence of the adsorption energy on the molecule displacement near the inner BNNTs surface, together with their local morphological and electrical changes and compare the values to the adsorption energy obta…

NanotubeMaterials scienceTemperatureGeneral Physics and AstronomyNanotechnologyIodidesModels TheoreticalMolecular dynamicschemistry.chemical_compoundAdsorptionPhysisorptionchemistryChemical physicsBoron nitrideMoleculeDensity functional theoryGraphiteAdsorptionPhysical and Theoretical ChemistrySolvent effectsPhysical chemistry chemical physics : PCCP
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