Search results for "DF"

showing 10 items of 1699 documents

α-d-Glucopyranose Adsorption on a Pd30 Cluster Supported on Boron Nitride Nanotube

2016

Boron nitride nanotube (BNNT) as an innovative support for carbohydrate transformation processes was evaluated, using density functional theory. The α-d-glucopyranose adsorption on a Pd30 cluster, supported on BNNT, was used to check both the local activity of topologically different metallic sites and the effects of the proximity of the BNNT surface to the same metallic sites. Detailed geometrical and electronic analyses performed on Pd30/BNNT and α-d-glucopyranose/Pd30/BNNT systems were discussed. It was observed that the deposition of the Pd30 cluster onto the BNNT support gives rise to an electronic rearrangement, determining a charge transfer from the support to the adsorbed metal clus…

Surface site reactivityChemical substanceNanotechnologyElectron donor02 engineering and technology010402 general chemistryDFT01 natural sciencesBoron nitride nanotubeCatalysisCatalysiCatalysisMetalchemistry.chemical_compoundAdsorptionSupported palladium catalystCluster (physics)Chemistry (all)Molecular electrostatic potentialGeneral Chemistry021001 nanoscience & nanotechnologyBoron nitride nanotube; DFT; Molecular electrostatic potential; Supported palladium catalyst; Surface site reactivity; α-d-Glucopyranose adsorption; Catalysis; Chemistry (all)0104 chemical scienceschemistryChemical physicsvisual_artα-d-Glucopyranose adsorptionvisual_art.visual_art_mediumDensity functional theory0210 nano-technologyScience technology and societyTopics in Catalysis
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Isolated osteoblastoma of the cuboid bone: A case report and review of the literature

2020

Osteoblastoma is a relatively rare, benign, bone-forming tumor, commonly observed in the second and third decades of life. Spine and the long tubular bones are the most common sites of involvement. Osteoblastoma is infrequently seen in other sites, including the bones of hand and foot. A rare case of a 35-year-old man that presented an osteoblastoma of the cuboid bone is reported. The patient was treated with surgical resection and grafting. After the intervention, the patient recovered with no clinical and radiological evidence of recurrence after one year of follow-up. Several cases of osteoblastoma-like variant of osteosarcoma of the cuboid have been previously reported, but, to our know…

Surgical resectionAdultMalemedicine.medical_specialtyPainBone Neoplasms03 medical and health sciencesBone-formin0302 clinical medicineOsteoblastomaCuboid boneRare caseBone tumorsPathologyMedicineHumansOrthopedics and Sports MedicineOsteoblastomaPodiatryMidfootBone tumor030203 arthritis & rheumatologyCuboidBone tumors; Bone-forming; Midfoot; Pain; Pathology; Rare disease.business.industry030229 sport sciencesTarsal Bonesmedicine.diseaseMidfoot PathologyBone-formingOsteosarcomaBone formingRadiologybusinessRare diseaseRare disease
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On the informative role of Reward-based Crowdfunding

2021

SustainabilityCrowdfundingSettore ING-IND/35 - Ingegneria Economico-GestionaleNew venture financingVenture capital funding
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Assessment of autonomic function as marker of training status: the role of heart rate recovery after exercise

2014

Heart rate recovery (HRR) is the rate at which the heart rate returns to baseline after a period of exercise. HRR is a marker of autonomic function and a predictor of cardiovascular fitness in healthy subjects and in those with cardiovascular diseases. Moreover, HRR has been proposed as a marker of training status in athletes. Our aim was to perform a review of studies that evaluated HRR after exercise in trained and untrained healthy subjects and assessed its relationship with training status. Several studies suggest that the assessing of HRR after exercise may be useful to distinguish trained from untrained individuals and to establish an athlete’s state of training. However, standardizat…

Sympathetic Parasympathetic Cardiovascular fitnessSettore M-EDF/01 - Metodi E Didattiche Delle Attivita' Motorie
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Effect of donor substituents on thermally activated delayed fluorescence of diphenylsulfone derivatives

2019

This research was funded by the European Social Fund according to the activity ‘Improvement of researchers’ qualification by implementing world-class R&D projects’ of Measure No. 09.3.3-LMT-K-712. DG acknowledges to the ERDF PostDoc project No. 1.1.1.2/VIAA/1/16/177;

TADFMaterials sciencePhotoluminescenceBiophysicsQuantum yield02 engineering and technologyDiphenylsulphone010402 general chemistryPhotochemistry01 natural sciencesBiochemistrychemistry.chemical_compoundBathochromic shift:NATURAL SCIENCES:Physics [Research Subject Categories]CarbazoleSolvatochromismGeneral Chemistry021001 nanoscience & nanotechnologyCondensed Matter PhysicsAtomic and Molecular Physics and Optics0104 chemical sciencesOLEDchemistryExcited stateDensity functional theoryEmitter0210 nano-technologyPhenoxazineJournal of Luminescence
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Diphenylsulfone-based hosts for electroluminescent devices: Effect of donor substituents

2020

DG acknowledges to the ERDF PostDoc project No. 1.1.1.2/VIAA/1/16/177. This work was supported by the project of scientific co-operation program between Latvia, Lithuania and Taiwan ?Polymeric Emitters with Controllable Thermally Activated Delayed Fluorescence for Solution-processable OLEDs? (grant No. S-LLT-19-4). Support of the Lithuanian Academy of Sciences is gratefully acknowledged; Institute of Solid State Physics, University of Latvia as the Center of Excellence has received funding from the European Union’s Horizon 2020 Framework Programme H2020-WIDESPREAD-01-2016-2017-TeamingPhase2 under grant agreement No. 739508, project CAMART²

TADFMaterials sciencePhotoluminescenceGeneral Chemical EngineeringCarbazoleQuantum yield02 engineering and technologyElectroluminescence010402 general chemistry01 natural scienceschemistry.chemical_compoundOLED:NATURAL SCIENCES:Physics [Research Subject Categories]TrifluoromethylCarbazoleProcess Chemistry and TechnologyHost021001 nanoscience & nanotechnologyDiphenylsulfone0104 chemical sciencesCrystallographyOLEDchemistryQuantum efficiency0210 nano-technologyGlass transitionDyes and Pigments
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Calculations Yb [Dataset]

2022

Orca outputs of TDDFT and DFT calculations on a Yb complex Archivos OUT. Abrir con Windows Notepad, WordPad, TextEdit o Text editor. Archivos OUT. Abrir con Windows Notepad, WordPad, TextEdit o Text editor.

TDDFT DFT Calculation with OrcaUNESCO::QUÍMICAcalculations
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Intracellular accumulation of incompletely processed transforming growth factor-alpha polypeptides in ground glass hepatocytes of chronic hepatitis B…

1996

Abstract Background: Transforming growth factor-alpha is an intracellularly processed and secreted polypeptide that induces a proliferative response in epithelial target cells and represents a potential regulatory factor in embryonic development, liver regeneration, and also hepatocarcinogenesis. We have observed focal transforming growth factor-alpha expression in liver tissues with chronic hepatitis B virus infection. Methods: To further elucidate the nature of this focal transforming growth factor-alpha accumulation were have analyzed overall 23 different liver tissues with chronic hepatitis B virus and hepatitis C virus infection as well as normal liver tissues by immunohistology, ELISA…

TGF alphaHepatitis B Surface AntigensHepatologybiologyHepatitis C virusGrowth factormedicine.medical_treatmentHepatitis BTransforming Growth Factor alphamedicine.disease_causemedicine.diseasebiology.organism_classificationHepatitis BVirologyMolecular biologyLiver regenerationHepadnaviridaeLiverTransforming growth factor beta 3Case-Control StudiesChronic DiseasemedicineHumansGDF15PeptidesJournal of hepatology
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Overview of first Wendelstein 7-X high-performance operation

2019

Abstract The optimized superconducting stellarator device Wendelstein 7-X (with major radius , minor radius , and plasma volume) restarted operation after the assembly of a graphite heat shield and 10 inertially cooled island divertor modules. This paper reports on the results from the first high-performance plasma operation. Glow discharge conditioning and ECRH conditioning discharges in helium turned out to be important for density and edge radiation control. Plasma densities of with central electron temperatures were routinely achieved with hydrogen gas fueling, frequently terminated by a radiative collapse. In a first stage, plasma densities up to were reached with hydrogen pellet injec…

TechnologyCONFINEMENT01 natural sciencesimpurities010305 fluids & plasmaslaw.inventionECR heatingDivertorDENSITY LIMITlawData_FILESGeneralLiterature_REFERENCE(e.g.dictionariesencyclopediasglossaries)004 Datenverarbeitung; InformatikPhysicsGlow dischargeDivertorCondensed Matter PhysicsContent (measure theory)ComputingMethodologies_DOCUMENTANDTEXTPROCESSINGElectron temperatureAtomic physicsddc:620StellaratorImpuritiesNuclear and High Energy PhysicsTechnology and Engineeringplasma performancechemistry.chemical_elementAtmospheric-pressure plasmaPHYSICSstellaratorPhysics::Plasma PhysicsNBI heating0103 physical sciencesdivertor010306 general physicsHeliumStellaratorPlasma performanceturbulenceFísicaW7-XTurbulenceTheoryofComputation_MATHEMATICALLOGICANDFORMALLANGUAGESchemistryddc:004ddc:600Energy (signal processing)SYSTEMNuclear Fusion
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Vacancy Defects in Ga2O3: First-Principles Calculations of Electronic Structure

2021

This research was funded by the Science Committee of the Ministry of Education and Science of the Republic of Kazakhstan (Grant No. AP08856540) as well as by the Latvian research council via the Latvian National Research Program under the topic ?High-Energy Physics and Accelerator Technologies?, Agreement No: VPP-IZM-CERN-2020/1-0002 for A.I. Popov. In addition, J. Purans is grateful to the ERAF project 1.1.1.1/20/A/057 while A. Platonenko was supported by Latvian Research Council No. LZP-2018/1-0214. The authors thank A. Lushchik and M. Lushchik for many useful discussions. The research was (partly) performed in the Institute of Solid State Physics, University of Latvia ISSP UL. ISSP UL as…

TechnologyDEEP DONOR02 engineering and technologyConductivityDFT01 natural sciencesOXYGENCrystalpoint defectsGeneral Materials ScienceDENSITY FUNCTIONAL THEORYGalliump-type conductivityMicroscopyQC120-168.85Condensed matter physicsMONOCLINICSTP TYPE CONDUCTIVITYELECTRONIC.STRUCTUREEngineering (General). Civil engineering (General)021001 nanoscience & nanotechnology3. Good healthCALCULATIONSβ-Ga<sub>2</sub>O<sub>3</sub>OXYGEN VACANCIES:NATURAL SCIENCES [Research Subject Categories]Density functional theoryElectrical engineering. Electronics. Nuclear engineeringTA1-20400210 nano-technologyPOINT DEFECTSFIRST PRINCIPLE CALCULATIONSβ-Ga2O3Materials scienceP-TYPE CONDUCTIVITYELECTRONIC STRUCTUREVACANCY DEFECTSchemistry.chemical_elementElectronic structureFIRST-PRINCIPLE DENSITY-FUNCTIONAL THEORIESGALLIUM COMPOUNDSArticleDENSITY-FUNCTIONAL-THEORYVacancy defect0103 physical sciences010306 general physicsΒ-GA2 O3QH201-278.5HYBRID EXCHANGEoxygen vacancyCrystallographic defectTK1-9971Descriptive and experimental mechanicschemistryGALLIUMdeep donorSupercell (crystal)DFT; β-Ga<sub>2</sub>O<sub>3</sub>; oxygen vacancy; deep donor; p-type conductivity; point defectsOXYGEN VACANCYMaterials
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