Search results for "method."

showing 10 items of 13043 documents

Monte Carlo simulations of the solid-liquid transition in hard spheres and colloid-polymer mixtures

2010

Monte Carlo simulations at constant pressure are performed to study coexistence and interfacial properties of the liquid-solid transition in hard spheres and in colloid-polymer mixtures. The latter system is described as a one-component Asakura-Oosawa (AO) model where the polymer's degrees of freedom are incorporated via an attractive part in the effective potential for the colloid-colloid interactions. For the considered AO model, the polymer reservoir packing fraction is eta_p^r=0.1 and the colloid-polymer size ratio is q=sigma_p/\sigma=0.15 (with sigma_p and sigma the diameter of polymers and colloids, respectively). Inhomogeneous solid-liquid systems are prepared by placing the solid fc…

ANISOTROPIC SURFACE-TENSIONMaterials scienceMonte Carlo methodDegrees of freedom (physics and chemistry)General Physics and AstronomyThermodynamicsCondensed Matter - Soft Condensed MatterCAPILLARY WAVESAtomic packing factorCOMPUTER-SIMULATIONVAPOR INTERFACE3-DIMENSIONAL ISING-MODELColloidsymbols.namesakePhase (matter)Physical and Theoretical ChemistryCOEXISTING PHASESchemistry.chemical_classificationCondensed Matter - Materials ScienceINTERFACIAL FREE-ENERGYPROFILESHard spheresPolymerCondensed Matter::Soft Condensed MatterchemistryCRYSTAL-MELT INTERFACESBoltzmann constantsymbolsCRYSTALLIZATIONThe Journal of Chemical Physics
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Search for high energy cosmic muon neutrinos from variable gamma-ray sources and time calibration of the optical modules of the ANTARES telescope

2015

325 páginas. Tesis Doctoral del Departamento de Física Atómica, Molecular y Nuclear de la Universidad de Valencia y del Instituto de Física Corpuscular (IFIC).

ANTAREStelescopios de neutrinosAGNsAstrophysics::High Energy Astrophysical PhenomenablazarsFísica experimental de Altas Energíasneutrino telescopesAstrophysics::Instrumentation and Methods for AstrophysicsneutrinosNebulosa del CangrejoXRBsX-ray binaries:FÍSICA::Física de altas energías [UNESCO]UNESCO::FÍSICA::Física de altas energíasCrab Pulsar Wind Nebulabinarias de rayos X
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Comparison of 3 ionisation methods - electron ionisation, chemical ionisation and atmospheric pressure photoionisation - for the characterisation of …

2021

International audience; Gas chromatography (GC) is a reproducible, robust, selective and sensitive method to analyse volatile organic compounds (VOCs) in a wide range of applications. The separated analytes are generally characterised by mass spectrometry (MS) under vacuum conditions. The main ionisation method is the Electron Ionisation (EI): high energy exchanges occur, causing reproducible molecular fragmentations. Chemical Ionisation (CI) is another ionisation method where a reactive gas (i.e. methane or ammonia) is ionised to form reactant ions. GC-MS can also be conducted under atmospheric pressure. Atmospheric Pressure PhotoIonisation (APPI) is the most recent source [1]. Emitted pho…

APPI[SDV.BIO]Life Sciences [q-bio]/BiotechnologyVOCsCIsensitivityionisation methods[SDV.BIO] Life Sciences [q-bio]/Biotechnology[CHIM.THEO]Chemical Sciences/Theoretical and/or physical chemistry[SDV.AEN] Life Sciences [q-bio]/Food and Nutrition[CHIM.THEO] Chemical Sciences/Theoretical and/or physical chemistryElvolatile organic compoundschemical ionisation[CHIM]Chemical Sciences[SDV.BBM]Life Sciences [q-bio]/Biochemistry Molecular Biologyelectron ionisationatmospheric pressure photoionisationGC-MS[SDV.AEN]Life Sciences [q-bio]/Food and NutritionComputingMilieux_MISCELLANEOUS
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Safety and immunomodulatory effects of three probiotic strains isolated from the feces of breast-fed infants in healthy adults: SETOPROB study.

2013

We previously described the isolation and characterization of three probiotic strains from the feces of exclusively breast-fed newborn infants: Lactobacillus paracasei CNCM I-4034, Bifidobacterium breve CNCM I-4035 and Lactobacillus rhamnosus CNCM I-4036. These strains were shown to adhere to intestinal mucus in vitro, to be sensitive to antibiotics and to resist biliary salts and low pH. In the present study, a multicenter, randomized, double-blind, placebo-controlled trial with 100 healthy volunteers in three Spanish cities was carried out to evaluate the tolerance, safety, gut colonization and immunomodulatory effects of these three probiotics. Volunteers underwent a 15-day washout perio…

ARN Bacterianoved/biology.organism_classification_rank.speciesPhysiologylcsh:Medicine:Phenomena and Processes::Biological Phenomena::Ecological and Environmental Phenomena::Environment::Ecosystem::Biodiversity::Biota::Microbiota [Medical Subject Headings]law.inventionFecesProbioticAntibioticslawLactobacillus:Phenomena and Processes::Physiological Phenomena::Nutritional Physiological Phenomena::Child Nutritional Physiological Phenomena::Infant Nutritional Physiological Phenomena::Breast Feeding [Medical Subject Headings]lcsh:Science:Chemicals and Drugs::Nucleic Acids Nucleotides and Nucleosides::Nucleic Acids::RNA::RNA Bacterial [Medical Subject Headings]BifidobacteriumMultidisciplinaryBifidobacterium brevebiologyLacticaseibacillus rhamnosusMicrobiotaHibridación in SituInterleukin-10:Organisms::Bacteria::Gram-Positive Bacteria::Lactobacillales::Lactobacillaceae::Lactobacillus [Medical Subject Headings]Breast FeedingBloodCytokinesFemaleResearch ArticleAdult:Anatomy::Fluids and Secretions::Feces [Medical Subject Headings]Lactobacillus paracasei:Organisms::Bacteria::Endospore-Forming Bacteria::Gram-Positive Endospore-Forming Bacteria::Gram-Positive Endospore-Forming Rods::Clostridium::Clostridium difficile [Medical Subject Headings]Microbiology:Chemicals and Drugs::Nucleic Acids Nucleotides and Nucleosides::Nucleic Acids::Nucleic Acid Probes::Oligonucleotide Probes [Medical Subject Headings]Double-Blind MethodLactobacillus rhamnosusHumansImmunologic Factors:Analytical Diagnostic and Therapeutic Techniques and Equipment::Diagnosis::Diagnostic Techniques and Procedures::Clinical Laboratory Techniques::Cytological Techniques::Histocytological Preparation Techniques::Staining and Labeling::In Situ Hybridization [Medical Subject Headings]FecesSafety studiesved/biologyProbioticslcsh:RClostridium difficile:Organisms::Bacteria::Gram-Positive Bacteria::Actinobacteria::Bifidobacterium [Medical Subject Headings]biology.organism_classificationImmunoglobulin ALactobacilluslcsh:QInterleukin-4BifidobacteriumBreast feedingSondas de OligonucleótidosPLoS ONE
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Search for neutrino emission from gamma-ray flaring blazars with the ANTARES telescope

2012

The ANTARES telescope observes a full hemisphere of the sky all the time with a duty cycle close to 100%. This makes it well suited for an extensive observation of neutrinos produced in astrophysical transient sources. In the surrounding medium of blazars, i.e. active galactic nuclei with their jets pointing almost directly towards the observer, neutrinos may be produced together with gamma-rays by hadronic interactions, so a strong correlation between neutrinos and gamma-rays emissions is expected. The time variability information of the studied source can be obtained by the gamma-ray light curves measured by the LAT instrument on-board the Fermi satellite. If the expected neutrino flux ob…

ASTROPHYSICSAstrofísicaAstrophysicsNeutrino Astronomy01 natural sciences7. Clean energyLARGE-AREA TELESCOPElaw.inventionlawWATERInstrumentation010303 astronomy & astrophysicsPhysicsHigh Energy Astrophysical Phenomena (astro-ph.HE)[SDU.ASTR.HE]Sciences of the Universe [physics]/Astrophysics [astro-ph]/High Energy Astrophysical Phenomena [astro-ph.HE]Time-dependent searchCATALOGLIGHTNeutrino astronomyFísica nuclearNeutrinoAstrophysics - High Energy Astrophysical PhenomenaACTIVE GALACTIC NUCLEINuclear and High Energy Physics[PHYS.ASTR.HE]Physics [physics]/Astrophysics [astro-ph]/High Energy Astrophysical Phenomena [astro-ph.HE]Active galactic nucleus[PHYS.ASTR.IM]Physics [physics]/Astrophysics [astro-ph]/Instrumentation and Methods for Astrophysic [astro-ph.IM]Point sourceAstrophysics::High Energy Astrophysical PhenomenaFOS: Physical sciencesAstrophysics::Cosmology and Extragalactic Astrophysicsfermi lat transient sources; neutrino astronomy; time-dependent search; antares; blazarsTelescopeMUONS0103 physical sciencesANTARES; Neutrino Astronomy; Fermi LAT transient sourcesBlazarANTARES010308 nuclear & particles physicsAstronomyAstronomy and AstrophysicsFermi LAT transient sourcesLight curveNeutrino astrophysics[SDU.ASTR.IM]Sciences of the Universe [physics]/Astrophysics [astro-ph]/Instrumentation and Methods for Astrophysic [astro-ph.IM]MODEL13. Climate actionFISICA APLICADA:Física::Astronomia i astrofísica [Àrees temàtiques de la UPC]Neutrino astronomy[PHYS.ASTR]Physics [physics]/Astrophysics [astro-ph]BlazarsFermi Gamma-ray Space Telescope
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Binding mode analysis of ABCA7 for the prediction of novel Alzheimer's disease therapeutics

2021

Graphical abstract

ATP Adenosine-triphosphateNBD nucleotide binding domainGSH reduced glutathionePolypharmacologyAlzheimer’s disease (AD)ATP-binding cassette transporterHTS high-throughput screeningBiochemistryABCA7Structural BiologyPLIF protein ligand interactionMSD membrane spanning domainPDB protein data bankTM transmembrane helixABC ATP-binding cassetteMultitarget modulation (PANABC)RMSD root mean square distanceABC transporter (ABCA1 ABCA4 ABCA7)Computer Science ApplicationsMOE Molecular Operating EnvironmentPharmacophoreSNP single-nucleotide polymorphismBiotechnologyResearch ArticleBBB blood-brain barrierBiophysicsDrug designComputational biologyBiologyAD Alzheimer’s diseasePET positron emission tomographyIC intracellular helixAPP amyloid precursor proteincryo-EM cryogenic-electron microscopyGeneticsHomology modelingBinding siteRational drug design and developmentComputingMethodologies_COMPUTERGRAPHICSNBD-cholesterol 7-nitro-2-13-benzoxadiazol-4-yl-cholesterolTransporterPSO particle swarm optimizationPET tracer (PETABC)ECD extracellular domainR-domain/region regulatory domain/regionABCA1biology.proteinEH extracellular helixTP248.13-248.65BODIPY-cholesterol 44-difluoro-4-bora-3a4a-diaza-s-indacene-cholesterolComputational and Structural Biotechnology Journal
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AUGMENTED REALITY

2011

Already used in very specific areas such as in military and medical or academic research, in 2009 thanks to improved technology, augmented reality is to reach wider audiences and as information campaigns, advertising-augmented published in newspapers or on the network, and through a growing number of applications for mobile phones, particularly iPhone. "The Augmented Reality on the desktop computer is based on the use of markers, or ARtags, and stylized drawings, which are shown to the webcam, are recognized by the PC, and which are overlaid in real-time multimedia content: video, audio , 3D objects, etc.. Normally, applications of augmented reality are based on Adobe Flash technology and t…

AUGMENTED REALITY MUSEUM HERITAGE REPRESENTATION MARKERS. NETWORKING THE WORLD: CONCEPTS METHODS DATA.Settore ICAR/17 - Disegno
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Theoretical study of photoinduced ring-isomerization in the 1,2,4-oxadiazole series

2004

Abstract A theoretical study of photoinduced ring-isomerization of 3-amino-5-methyl- and 3-amino-5-phenyl-1,2,4-oxadiazoles is reported. The results well agree with the reported experimental data: in particular, they explain the ring-photoisomerization into the corresponding 2-amino-1,3,4-oxadiazoles through a ring contraction-ring expansion route; moreover, the occurrence of competing pathways involving both the ring contraction and the internal cyclization–isomerization mechanism during irradiation of the 5-alkyl substituted substrates in the presence of a base has been also substantiated.

Ab initio calculationPhotoisomerizationPhotochemistryChemistryHeterocycleOrganic ChemistryOxadiazoleSettore CHIM/06 - Chimica OrganicaPhotochemistryBiochemistrychemistry.chemical_compoundComputational chemistryAb initio quantum chemistry methodsPhotoisomerizationDrug Discovery124-OxadiazoleIsomerizationTetrahedron
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Low temperature rate coefficients of the H + CH+ → C+ + H2 reaction: New potential energy surface and time-independent quantum scattering

2015

The observed abundances of the methylidyne cation, CH(+), in diffuse molecular clouds can be two orders of magnitude higher than the prediction of the standard gas-phase models which, in turn, predict rather well the abundances of neutral CH. It is therefore necessary to investigate all the possible formation and destruction processes of CH(+) in the interstellar medium with the most abundant species H, H2, and e(-). In this work, we address the destruction process of CH(+) by hydrogen abstraction. We report a new calculation of the low temperature rate coefficients for the abstraction reaction, using accurate time-independent quantum scattering and a new high-level ab initio global potenti…

Ab initio quantum chemistry methodsChemistryScatteringPotential energy surfaceThermochemistryAb initioGeneral Physics and AstronomyThermodynamicsReactivity (chemistry)Scattering theoryPhysical and Theoretical ChemistryAtomic physicsPotential energyThe Journal of Chemical Physics
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Size-consistent ab initio calculation of the electric quadrupole moment of Cl2

2003

Abstract The molecular electric quadrupole moment ( Θ ) of Cl 2 has been calculated using SDCI, and (SC) 2 -SDCI wave functions as well as CCSD, CCSD(T), and CC3 methods. All these correlation methods are single reference. All of them, but SDCI, are free of the size-extensivity error. The variation of Θ from the separated atoms to the equilibrium region is reported. The present results leads to an estimated value of 2.3520 a.u. (10.55 × 10 −40 Cm 2 ) corresponding to a CC(3) calculation at the CBS approach and including the ro-vibrational and thermal averaging corrections. This value is compatible with two experimental values and points to one of them as slightly more reliable.

Ab initio quantum chemistry methodsChemistryThermalQuadrupoleAb initioGeneral Physics and AstronomyCorrelation methodPhysical and Theoretical ChemistryAtomic physicsWave functionBond-dissociation energyDiatomic moleculeChemical Physics Letters
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