Search results for "Methods"

showing 10 items of 4526 documents

Systematic trends in (0 0 1) surface ab initio calculations of ABO 3 perovskites

2018

This work was supported by the Latvian Council of Science Grant No. 374/2012 and the Latvian National Research Program IMIS2. Many stimulating discussions with D. Vanderbilt, K.M. Rabe, M. Rohlfing, E. Heifets, J. Maier, G. Borstel and E.A. Kotomin are greatly acknowledged.

B3LYPBand gapABO3 perovskitesPopulation02 engineering and technology01 natural scienceslcsh:ChemistryCrystalAb initio quantum chemistry methodsComputational chemistry0103 physical sciences:NATURAL SCIENCES:Physics [Research Subject Categories]Surface layer010306 general physicseducationPerovskite (structure)(0 0 1) surfaceseducation.field_of_studyCondensed matter physicsChemistryRelaxation (NMR)General Chemistry021001 nanoscience & nanotechnologyB3PWlcsh:QD1-999Chemical bondAb initio calculations0210 nano-technologyJournal of Saudi Chemical Society
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Comparative Ab Initio Calculations of ReO3, SrZrO3, BaZrO3, PbZrO3 and CaZrO3 (001) Surfaces

2020

We performed, for first time, ab initio calculations for the ReO2-terminated ReO3 (001) surface and analyzed systematic trends in the ReO3, SrZrO3, BaZrO3, PbZrO3 and CaZrO3 (001) surfaces using first-principles calculations. According to the ab initio calculation results, all ReO3, SrZrO3, BaZrO3, PbZrO3 and CaZrO3 (001) surface upper-layer atoms relax inwards towards the crystal bulk, all second-layer atoms relax upwards and all third-layer atoms, again, relax inwards. The ReO2-terminated ReO3 and ZrO2-terminated SrZrO3, BaZrO3, PbZrO3 and CaZrO3 (001) surface band gaps at the &Gamma

B3LYPMaterials scienceReO<sub>3</sub>Band gapABO3 perovskitesGeneral Chemical EngineeringPopulationab initio methodsAb initio02 engineering and technology010402 general chemistry01 natural sciencesMolecular physicsInorganic ChemistryCrystalABO<sub>3</sub> perovskitesAb initio quantum chemistry methodsAtomlcsh:QD901-999:NATURAL SCIENCES:Physics [Research Subject Categories]ReO3General Materials ScienceeducationPerovskite (structure)education.field_of_studyAb initio methods021001 nanoscience & nanotechnologyCondensed Matter Physics0104 chemical sciencesB3PWChemical bond(001) surfacelcsh:Crystallography0210 nano-technologyCrystals
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New physics in $B$ meson mixing: future sensitivity and limitations

2020

The mixing of neutral mesons is sensitive to some of the highest scales probed in laboratory experiments. In light of the planned LHCb Upgrade II, a possible upgrade of Belle II, and the broad interest in flavor physics in the tera-Z phase of the proposed FCC-ee program, we study constraints on new physics contributions to Bd and Bs mixings which can be obtained in these benchmark scenarios. We explore the limitations of this program, and identify the measurement of |Vcb| as one of the key ingredients in which progress beyond current expectations is necessary to maximize future sensitivity. We speculate on possible solutions to this bottleneck. Given the current tension with the standard mo…

BELLE: upgradeLHC-B: upgradeParticle physicsMesonPhysics beyond the Standard ModelFOS: Physical sciences01 natural sciencesAtomicStandard ModelHigh Energy Physics - ExperimentPhenomenological aspects of field theoryHigh Energy Physics - Experiment (hep-ex)High Energy Physics - Phenomenology (hep-ph)Particle and Plasma Physicseffective field theory0103 physical sciencesEffective field theory[PHYS.HEXP]Physics [physics]/High Energy Physics - Experiment [hep-ex]B mesonNuclearmeson: mixing010306 general physicsMixing (physics)PhysicsQuantum Physics010308 nuclear & particles physicsCabibbo–Kobayashi–Maskawa matrixhep-exMolecularhep-phFCC-eesensitivityNuclear & Particles Physicsgeneral methodsHigh Energy Physics - PhenomenologyUpgradeCKM matrix[PHYS.HPHE]Physics [physics]/High Energy Physics - Phenomenology [hep-ph]High Energy Physics::Experimentluminosity: highAstronomical and Space Sciences
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Testing a Simplified Approach to Determine Field Saturated Soil Hydraulic Conductivity

2013

Abstract Interpreting and simulating hydrological processes need a large number of field saturated soil hydraulic conductivity, Kfs , data that should be collected with simple and rapid field experiments. A Simplified method based on a Beerkan Infiltration run (SBI method) was recently developed and tested successfully on Burundian soils. With the SBI method, a cylinder is inserted to a short depth into the soil and the infiltration time of a few small volumes of water repeatedly applied at the surface of the confined soil is measured. Calculating Kfs needs the slope of the linearized cumulative infiltration vs. time relationship and an estimate of the so called α* parameter. In this invest…

BEST (Beerkan Estimation of Soil Transfer parameters) procedureSoil scienceArea of interestSoil hydraulic propertiesSingle ring pressure infiltrometer.Infiltration (hydrology)Hydraulic conductivityMeasurement methodsSoil waterSettore AGR/08 - Idraulica Agraria E Sistemazioni Idraulico-ForestaliGeneral Earth and Planetary SciencesInfiltrometerSoil hydraulic properties Measurement methods BEST (Beerkan Estimation of Soil Transfer parameters) procedure Single ring pressure infiltrometerPondingGeneral Environmental ScienceMathematicsProcedia Environmental Sciences
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Invasion Ability and Disease Dynamics of Environmentally Growing Opportunistic Pathogens under Outside-Host Competition

2014

Most theories of the evolution of virulence concentrate on obligatory host-pathogen relationship. Yet, many pathogens replicate in the environment outside-host where they compete with non-pathogenic forms. Thus, replication and competition in the outside-host environment may have profound influence on the evolution of virulence and disease dynamics. These environmentally growing opportunistic pathogens are also a logical step towards obligatory pathogenicity. Efficient treatment methods against these diseases, such as columnaris disease in fishes, are lacking because of their opportunist nature. We present a novel epidemiological model in which replication and competition in the outside-hos…

Bacterial Diseases0106 biological sciencesPopulation ModelingDisease01 natural sciencesTheoretical EcologyMedicine and Health SciencesPathogenPOPULATIONmedia_common0303 health scienceseducation.field_of_studyPREDATIONMultidisciplinaryEcologyTransmission (medicine)EcologySimulation and ModelingQRCHANNEL CATFISHEVOLUTIONARY DYNAMICSCOMMUNITYInfectious DiseasesHost-Pathogen Interactions1181 Ecology evolutionary biologyMedicineAlgorithmsResearch ArticleTRANSMISSIONSciencemedia_common.quotation_subjecteducationPopulationVirulenceOpportunistic InfectionsBiologyResearch and Analysis Methods010603 evolutionary biologyCompetition (biology)03 medical and health sciences14. Life underwaterParasite EvolutioneducationEvolutionary dynamicsta413030304 developmental biologyEvolutionary BiologyMathematical ModelingSTABILITYMORTALITYEcology and Environmental SciencesBiology and Life SciencesComputational BiologyFLAVOBACTERIUM-COLUMNAREOutbreakModels TheoreticalEmerging Infectious DiseasesEvolutionary Ecologyta1181VIRULENCEParasitologyInfectious Disease ModelingPLoS ONE
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Stimulated and unstimulated saliva samples have significantly different bacterial profiles

2018

Epidemiological studies use saliva on a regular basis as a non-invasive and easy-to-take sample, which is assumed to be a microbial representative of the oral cavity ecosystem. However, comparative studies between different kinds of saliva samples normally used in microbial studies are scarce. The aim of the current study was to compare oral microbiota composition between two different saliva samples collected simultaneously: non-stimulated saliva with paper points and stimulated saliva collected after chewing paraffin gum. DNA was extracted from saliva samples of ten individuals, then analyzed by 16S rRNA pyrosequencing to describe bacterial diversity. The results demonstrate significant d…

Bacterial DiseasesMale0301 basic medicineSalivaPhysiologylcsh:MedicineMicrobiologiaPathology and Laboratory MedicineOral cavityDatabase and Informatics Methodsfluids and secretions0302 clinical medicineOral DiseasesCariesMedicine and Health SciencesFood sciencelcsh:ScienceChildMultidisciplinaryGenomicsBody FluidsBacterial PathogensInfectious Diseasesmedicine.anatomical_structureMedical MicrobiologyParaffinFemaleAnatomyPathogensSequence AnalysisResearch ArticleAdolescentBioinformaticsOral MedicineSequence DatabasesMicrobial GenomicsBiologyResearch and Analysis MethodsDental plaqueMicrobiologyBuccal mucosa03 medical and health sciencesOral Microbiotastomatognathic systemTongueGeneticsmedicineHumansEpidemiologiaSalivaMicrobial PathogensBacteriaBocalcsh:ROrganismsBiology and Life SciencesStreptococcus030206 dentistrymedicine.disease16S ribosomal RNAstomatognathic diseasesBiological Databases030104 developmental biologyEstomatologiaPyrosequencinglcsh:QMicrobiomePLOS ONE
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Novel M. tuberculosis specific IL-2 ELISpot assay discriminates adult patients with active or latent tuberculosis

2018

Background Tuberculosis (TB) still is a major worldwide health problem, with 10.4 million new cases in 2016. Only 5–15% of people infected with M. tuberculosis develop TB disease while others remain latently infected (LTBI) during their lifetime. Thus, the absence of tests able to distinguish between latent infection and active tuberculosis is one of the major limits of currently available diagnostic tools. Methods A total of 215 patients were included in the study as active TB cases (n = 73), LTBI subjects (n = 88) and healthy persons (n = 54). Peripheral blood mononuclear cells (PBMCs) were isolated from each patient and the LIOSpot® TB anti-human IL-2 ELISpot assay was performed to test …

Bacterial DiseasesMale0301 basic medicinelcsh:MedicineAdult; Aged; Case-Control Studies; Diagnosis Differential; Female; Humans; Immunoassay; Interleukin-2; Latent Tuberculosis; Male; Middle Aged; Mycobacterium tuberculosis; ROC Curve; Species SpecificityFluorescence MicroscopyBiochemistry Genetics and Molecular Biology (all); Agricultural and Biological Sciences (all)ZoonosesDiagnosisMedicine and Health SciencesBovine TuberculosisEnzyme-Linked Immunoassayslcsh:ScienceImmunoassayMicroscopyMultidisciplinarybiologyLatent tuberculosismedicine.diagnostic_testELISPOTLight MicroscopyMiddle AgedActinobacteriaInfectious DiseasesTuberculosis Diagnosis and ManagementFemaleResearch ArticleAdultTuberculosis030106 microbiologyResearch and Analysis MethodsQuantiFERONDiagnosis DifferentialMycobacterium tuberculosis03 medical and health sciencesSpecies SpecificityAntigenDiagnostic MedicineLatent TuberculosismedicineTuberculosisHumansImmunoassaysAgedBacteriabusiness.industrylcsh:ROrganismsCase-control studyBiology and Life SciencesMycobacterium tuberculosisTropical Diseasesmedicine.diseasebiology.organism_classificationMycobacterium Ulcerans030104 developmental biologyROC CurveCase-Control StudiesImmunoassayDifferentialImmunologyImmunologic TechniquesInterleukin-2lcsh:QbusinessPLOS ONE
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Mortality and demographic recovery in early post-black death epidemics: Role of recent emigrants in medieval Dijon

2020

International audience; Objective and methodsWe analyze the influence of population movement on susceptibility to death and resilience during two epidemics occurring in Dijon soon after the Black Death. Using a specific program designed to propose links between entries in annual tax registers, we define tentative heads of household, the elapsed time since their first registration and their ties with other persons within the city.ResultsDuring the 1400 epidemic heads of household who were registered for 1–3 years die in large numbers, whereas during years without epidemics, their death rate is lower than that of heads of household who were registered longer. Recent registration is an epidemi…

Bacterial DiseasesMaleTime FactorsEpidemiologyChi Square TestsVulnerability factorDisease OutbreaksGeographical LocationsMathematical and Statistical Techniques0302 clinical medicineMedicine and Health SciencesPublic and Occupational HealthHistory 15th Centurymedia_common[SDV.EE]Life Sciences [q-bio]/Ecology environmentFamily Characteristics0303 health scienceseducation.field_of_studyMultidisciplinaryIncidenceIncidence (epidemiology)Mortality rateStatisticsQRSocioeconomic Aspects of HealthEuropeSurvival RateProfessionsInfectious DiseasesGeographyPhysical SciencesFamineMedicineFemaleFrancePsychological resilienceResearch ArticleDeath Ratesmedia_common.quotation_subjectScience030231 tropical medicinePopulationBlack DeathEmigrants and ImmigrantsResearch and Analysis MethodsInfectious Disease Epidemiology03 medical and health sciencesPopulation MetricsHumansStatistical MethodseducationStatistical Hypothesis TestingSocioeconomic statusDemography030304 developmental biologyPlaguePopulation BiologyBiology and Life SciencesHistory MedievalPlaguesEmigrationHealth CareSocioeconomic FactorsPeople and PlacesPopulation Groupings[SDE.BE]Environmental Sciences/Biodiversity and EcologyMathematicsDemography
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Association between passive tobacco exposure and caries in children and adolescents. A systematic review and meta-analysis.

2017

To examine the available evidence on the association between exposure to tobacco use in the womb and in infancy and the presence of caries in primary and permanent dentition in children and adolescents. A systematic review was conducted through searches in 4 data bases (Pubmed, Scopus, Embase and Web of Science), complemented by hand-searching. Of the 559 articles identified, 400 were duplicates. Finally, 28 articles were included in the qualitative review and 21 in the meta-analysis. Their quality was assessed using the Newcastle-Ottawa scale. The quality was medium in 44% of the articles included and high in 56%. The overall meta-analysis gave a significant odds ratio (OR = 1.53, 95% conf…

Bacterial DiseasesPediatricsPulmonologyPhysiologyDigestive Physiologylcsh:MedicineAdolescentsHabitsFamilies0302 clinical medicineMathematical and Statistical TechniquesPregnancyCariesMedicine and Health SciencesSmoking HabitsPublic and Occupational Health030212 general & internal medicineChildlcsh:ScienceChildrenMultidisciplinaryDentitionResearch AssessmentSystematic reviewInfectious DiseasesMeta-analysisPrenatal Exposure Delayed EffectsPhysical SciencesFemaleStatistics (Mathematics)Research Articlemedicine.medical_specialtyAdolescentSystematic ReviewsSubstance-Related DisordersMEDLINEDental CariesResearch and Analysis Methods03 medical and health sciencesMental Health and PsychiatrymedicineHumansDentitionTooth DeciduousStatistical MethodsAssociation (psychology)PregnancyBehaviorbusiness.industrylcsh:RBiology and Life SciencesSmoking Related Disorders030206 dentistryOdds ratiomedicine.diseaseConfidence intervalDentition PermanentAge GroupsPeople and PlacesTobacco Smoke PollutionPopulation Groupingslcsh:QbusinessMathematicsMeta-AnalysisPLoS ONE
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Reference set of Mycobacterium tuberculosis clinical strains: A tool for research and product development

2018

TheMycobacterium tuberculosiscomplex (MTBC) causes tuberculosis (TB) in humans and various other mammals. The human-adapted members of the MTBC comprise seven phylogenetic lineages that differ in their geographical distribution. There is growing evidence that this phylogenetic diversity modulates the outcome of TB infection and disease. For decades, TB research and development has focused on the two canonical MTBC reference strains H37Rv and Erdman, both of which belong to Lineage 4. Relying on only a few laboratory-adapted strains can be misleading as study results might not be directly transferrable to clinical settings where patients are infected with a diverse array of strains, includin…

Bacterial DiseasesResearch FacilitiesExtensively Drug-Resistant TuberculosisLineage (evolution)DiseaseAnimal PhylogeneticsMedicine and Health SciencesPhylogenyData Management0303 health sciencesGeographyPhylogenetic treeStrain (biology)QRGenomics3. Good healthActinobacteriaPhylogeneticsPhylogeographyInfectious DiseasesBiogeographyMycobacterium tuberculosis complexMedicineResearch LaboratoriesResearch ArticleComputer and Information SciencesTuberculosisTuberculosiScienceBiologyResearch and Analysis MethodsMycobacterium tuberculosis03 medical and health sciencesGenomic MedicineGeneticsmedicineTuberculosisHumansEvolutionary SystematicsTaxonomy030304 developmental biologyEvolutionary BiologyPopulation BiologyBacteria030306 microbiologyEcology and Environmental SciencesOrganismsBiology and Life SciencesGenetic VariationMycobacterium tuberculosisTropical Diseasesbiology.organism_classificationmedicine.diseaseGenòmicaPhylogenetic diversityEvolutionary biologyEarth SciencesZoologyPopulation Genetics
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