Search results for " Cluster"

showing 10 items of 2162 documents

Stabilized Naked Sub-nanometric Cu Clusters within a Polymeric Film Catalyze C-N, C-C, C-O, C-S, and C-P Bond-Forming Reactions

2015

[EN] Sub-nanometric Cu clusters formed by endogenous reduction of Cu salts and Cu nanoparticles are active and selective catalysts for C−N, C−C, C−O, C−S, and C−P bond-forming reactions. Sub-nanometric Cu clusters have also been generated within a polymeric film and stored with full stability for months. In this way, they are ready to be used on demand and maintain high activity (TONs up to 104 ) and selectivity for the above reactions. A potential mechanism for the formation of the sub-nanometric clusters and their electronic nature is presented.

ARYL HALIDESTECNOLOGIA DE ALIMENTOSDIAMINE LIGANDSULLMANNHeterogeneous catalysisBiochemistryCatalysisCoupling reactionCatalysisMECHANISMSColloid and Surface ChemistryQUIMICA ORGANICAOn demandPolymer chemistryOxidationHigh activityOrganic chemistryPotential mechanismTEMPERATURECu nanoparticlesChemistryGeneral ChemistryHETEROGENEOUS CATALYSISCROSS-COUPLING REACTIONSGOLD CLUSTERSSelectivityCOPPER CLUSTERS
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Nuclear anapole moment interaction in BaF from relativistic coupled-cluster theory

2018

We present high accuracy relativistic coupled cluster calculations of the P-odd interaction coefficient $W_A$ describing the nuclear anapole moment effect on the molecular electronic structure. The molecule under study, BaF, is considered a promising candidate for the measurement of the nuclear anapole moment, and the preparation for the experiment is now underway [Altunas et al., Phys. Rev. Lett. 120, 142501 (2018)]. Influence of various computational parameters (size of the basis set, treatment of relativistic effects, and treatment of electron correlation) on the calculated $W_A$ coefficient is investigated and a recommended value of 147.7 Hz with an estimated uncertainty of 1.5% is prop…

ATOMIC PARITY NONCONSERVATIONDIATOMIC-MOLECULESP-ODDVIOLATIONAtomic Physics (physics.atom-ph)Nuclear TheoryDENSITY FUNCTIONALSFOS: Physical sciences01 natural sciences010305 fluids & plasmasPhysics - Atomic PhysicsENHANCEMENTMolecular electronic structure0103 physical sciencesIMPLEMENTATIONNuclear Experiment010306 general physicsBasis setPhysicsElectronic correlationELECTRIC-FIELD GRADIENTSDiatomic moleculeWEAK-INTERACTIONSCoupled clusterMoment (physics)Atomic physicsRelativistic quantum chemistryAPPROXIMATIONPhysical Review A
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CitA/CitB Two-Component System Regulating Citrate Fermentation in Escherichia coli and Its Relation to the DcuS/DcuR System In Vivo

2011

ABSTRACT Citrate fermentation by Escherichia coli requires the function of the citrate/succinate antiporter CitT ( citT gene) and of citrate lyase ( citCDEFXG genes). Earlier experiments suggested that the two-component system CitA/CitB, consisting of the membrane-bound sensor kinase CitA and the response regulator CitB, stimulates the expression of the genes in the presence of citrate, similarly to CitA/CitB of Klebsiella pneumoniae . In this study, the expression of a chromosomal citC-lacZ gene fusion was shown to depend on CitA/CitB and citrate. CitA/CitB is related to the DcuS/DcuR two-component system which induces the expression of genes for fumarate respiration in response to C 4 -di…

ATP citrate lyaseOperonBiologymedicine.disease_causeMicrobiologyCitric AcidFusion geneGene clusterEscherichia colimedicinePromoter Regions GeneticMolecular BiologyEscherichia coliEscherichia coli ProteinsPromoterGene Expression Regulation BacterialArticlesMolecular biologyTwo-component regulatory systemDNA-Binding ProteinsResponse regulatorBiochemistryFermentationProtein KinasesProtein BindingTranscription FactorsJournal of Bacteriology
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Magic triangular and tetrahedral clusters

1997

Using the methods of density functional theory and the jellium model we show that clusters with triangular [in two dimensions (2D)] or tetrahedral [in three dimensions (3D)] shapes have a strong shell structure and enhanced stability. Moreover, the shell closings correspond to the lowest magic numbers of a 2D and 3D harmonic oscillator and at the same time to the number of divalent atoms in close-packed triangles and tetrahedrons. Ab initio molecular dynamics simulations for Na and Mg clusters support the results of the jellium model.

Ab initio molecular dynamicsPhysicsJelliumPhysics::Atomic and Molecular ClustersMagic (programming)Shell (structure)TetrahedronDensity functional theoryAtomic physicsHarmonic oscillatorPhysical Review B
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UV variability and accretion dynamics in the young open cluster NGC 2264

2015

We explore UV and optical variability signatures for several hundred members of NGC 2264 (3 Myr). We performed simultaneous u- and r-band monitoring over two full weeks with CFHT/MegaCam. About 750 young stars are probed; 40% of them are accreting. Statistically distinct variability properties are observed for accreting and non-accreting cluster members. The accretors exhibit a significantly higher level of variability than the non-accretors, especially in the UV. The amount of u-band variability correlates statistically with UV excess in disk-bearing objects, which suggests that accretion and star-disk interaction are the main sources of variability. Cool magnetic spots, several hundred de…

AccretionAstrophysics::High Energy Astrophysical PhenomenaFOS: Physical sciencesAstrophysicsAstrophysics::Cosmology and Extragalactic AstrophysicsSettore FIS/05 - Astronomia E AstrofisicaStars: low-maAstrophysics::Solar and Stellar Astrophysicsaccretion diskAstrophysics::Galaxy AstrophysicsSolar and Stellar Astrophysics (astro-ph.SR)Stars: variables: T TauriPhysicsPhotosphereHerbig Ae/BeAstronomy and AstrophysicsAstronomy and AstrophysicUltraviolet: starAccretion (astrophysics)StarsWavelengthAmplitudeAstrophysics - Solar and Stellar AstrophysicsSpace and Planetary ScienceOpen clusters and associations: individual: NGC 2264Stars: pre-main sequenceAstrophysics::Earth and Planetary AstrophysicsOpen cluster
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X-shooter spectroscopy of young stars with disks. The TW Hydrae association as a probe of the final stages of disk accretion

2019

We investigate ongoing accretion activity in young stars in the TW Hydrae association (TWA, ~8-10 Myr), an ideal target to probe the final stages of disk accretion down to brown dwarf masses. Our sample comprises eleven TWA members with infrared excess, amounting to 85% of the total TWA population with disks, with spectral types between M0 and M9, and masses between 0.58 and 0.02 Msol. We employed homogeneous spectroscopic data from 300 to 2500 nm, obtained with X-shooter, to derive individual extinction, stellar parameters, and accretion parameters simultaneously. We then examined Balmer lines and forbidden emission lines to probe the physics of the star-disk interaction environment. We de…

AccretionOpen clusters and associations: individual: TWA010504 meteorology & atmospheric sciencesBrown dwarfFOS: Physical sciencesTechniques: spectroscopicAstrophysicsProtoplanetary diskStellar classification01 natural sciencesspectroscopic [Techniques]symbols.namesakeSettore FIS/05 - Astronomia E Astrofisicalow-mass [Stars]pre-main sequence [Stars]0103 physical sciencesStars: low-maTW HydraeQB Astronomy010303 astronomy & astrophysicsSolar and Stellar Astrophysics (astro-ph.SR)QC0105 earth and related environmental sciencesQBEarth and Planetary Astrophysics (astro-ph.EP)PhysicsInfrared excessBalmer seriesAstronomy and AstrophysicsDASAstrophysics - Astrophysics of GalaxiesAccretion (astrophysics)StarsQC PhysicsAstrophysics - Solar and Stellar AstrophysicsSpace and Planetary ScienceAccretion diskAstrophysics of Galaxies (astro-ph.GA)Accretion diskssymbolsStars: pre-main sequenceindividual: TWA [Open clusters and associations]Astrophysics - Earth and Planetary Astrophysics
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Gaia -ESO Survey: Analysis of pre-main sequence stellar spectra

2015

This paper describes the analysis of UVES and GIRAFFE spectra acquired by the Gaia-ESO Public Spectroscopic Survey in the fields of young clusters whose population includes pre-main sequence (PMS) stars. Both methods that have been extensively used in the past and new ones developed in the contest of the Gaia-ESO survey enterprise are available and used. The internal precision of these quantities is estimated by inter-comparing the results obtained by such different methods, while the accuracy is estimated by comparison with independent external data, like effective temperature and surface gravity derived from angular diameter measurements, on a sample of benchmarks stars. Specific strategi…

Accuracy and precisionPopulationFOS: Physical sciencesAstrophysicsAstrophysics::Cosmology and Extragalactic Astrophysicsstars: pre-main sequenceSurveysfundamental parameters [Stars]Astronomical spectroscopysurveysAngular diameterpre-main sequence [Stars]Astrophysics::Solar and Stellar AstrophysicsSurveydata analysis [Methods]educationSolar and Stellar Astrophysics (astro-ph.SR)Astrophysics::Galaxy AstrophysicsAstronomía y AstrofísicaPhysicseducation.field_of_studygeneral [Open clusters and associations][SDU.ASTR]Sciences of the Universe [physics]/Astrophysics [astro-ph]Astronomy and AstrophysicsStars: fundamental parameterAstronomy and AstrophysicEffective temperatureopen clusters and associations: generalSurface gravitymethods: data analysisAccretion (astrophysics)StarsAstrophysics - Solar and Stellar AstrophysicsMethods: data analysis; Open clusters and associations: general; Stars: fundamental parameters; Stars: pre-main sequence; Surveys; Astronomy and Astrophysics; Space and Planetary ScienceSpace and Planetary Science[SDU]Sciences of the Universe [physics]open clusters and associations: general; surveys ; methods: data analysisAstrophysics::Earth and Planetary Astrophysicsstars: fundamental parametersMethods: data analysi
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The history of chemical enrichment in the intracluster medium from cosmological simulations

2017

The distribution of metals in the intracluster medium (ICM) of galaxy clusters provides valuable information on their formation and evolution, on the connection with the cosmic star formation and on the effects of different gas processes. By analyzing a sample of simulated galaxy clusters, we study the chemical enrichment of the ICM, its evolution, and its relation with the physical processes included in the simulation and with the thermal properties of the core. These simulations, consisting of re-simulations of 29 Lagrangian regions performed with an upgraded version of the SPH GADGET-3 code, have been run including two different sets of baryonic physics: one accounts for radiative coolin…

Active galactic nucleusCosmology and Nongalactic Astrophysics (astro-ph.CO)Radiative coolingGalaxies:clusters:general; Galaxies:clusters:Intracluster medium; Methods: numerical; Astronomy and Astrophysics; Space and Planetary ScienceMetallicityFOS: Physical sciencesclusters:Intracluster medium [Galaxies]AstrophysicsAstrophysics::Cosmology and Extragalactic Astrophysics01 natural sciencesSmoothed-particle hydrodynamicsclusters:general [Galaxies]Intracluster medium0103 physical sciencesGalaxies:clusters:Intracluster medium010303 astronomy & astrophysicsGalaxy clusterAstrophysics::Galaxy AstrophysicsPhysicsnumerical [Methods]Methods: numerical010308 nuclear & particles physicsStar formationAstronomyAstronomy and AstrophysicsAstronomy and AstrophysicAstrophysics - Astrophysics of GalaxiesGalaxies:clusters:generalSupernova13. Climate actionSpace and Planetary ScienceAstrophysics of Galaxies (astro-ph.GA)Astrophysics - Cosmology and Nongalactic Astrophysics
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A series expansion of the extended Debye-H�ckel equation and application to linear prediction of stability constants

1996

The Debye-Hückel semiempirical extended equation is frequently used to calculate activity coefficients of chemical species and equilibrium constants at ionic strengths different from those used in their experimental evaluation. A series expansion of the extended Debye-Hückel equation is proposed here and checked with experimental data taken from the literature. The expansion is linear in the ionic parameters and yields a geometrical series which converges rapidly and that enables the accurate calculation of interpolated and extrapolated activity coefficients and equilibrium constants by simple and multiple linear regression without previous knowledge of the ionic parameters.

Activity coefficientSeries (mathematics)ChemistryThermodynamicsLinear predictionAnalytical Chemistrysymbols.namesakeIonic strengthComputational chemistryDebye–Hückel equationLinear regressionPhysics::Atomic and Molecular ClusterssymbolsSeries expansionEquilibrium constantTalanta
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A distributed real-time data prediction and adaptive sensing approach for wireless sensor networks

2018

International audience; Many approaches have been proposed in the literature to reduce energy consumption in Wireless Sensor Networks (WSNs). Influenced by the fact that radio communication and sensing are considered to be the most energy consuming activities in such networks. Most of these approaches focused on either reducing the number of collected data using adaptive sampling techniques or on reducing the number of data transmitted over the network using prediction models. In this article, we propose a novel prediction-based data reduction method. furthermore, we combine it with an adaptive sampling rate technique, allowing us to significantly decrease energy consumption and extend the …

Adaptive samplingComputer Networks and CommunicationsComputer scienceReal-time computing[INFO.INFO-SE]Computer Science [cs]/Software Engineering [cs.SE]02 engineering and technology[INFO.INFO-IU]Computer Science [cs]/Ubiquitous Computing[INFO.INFO-CR]Computer Science [cs]/Cryptography and Security [cs.CR]0202 electrical engineering electronic engineering information engineeringReal-time dataWork (physics)020206 networking & telecommunicationsEnergy consumption[INFO.INFO-MO]Computer Science [cs]/Modeling and SimulationComputer Science Applications[INFO.INFO-MA]Computer Science [cs]/Multiagent Systems [cs.MA]Hardware and Architecture[INFO.INFO-ET]Computer Science [cs]/Emerging Technologies [cs.ET]020201 artificial intelligence & image processing[INFO.INFO-DC]Computer Science [cs]/Distributed Parallel and Cluster Computing [cs.DC]Wireless sensor networkSoftwarePredictive modellingEnergy (signal processing)Information SystemsData reductionPervasive and Mobile Computing
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