Search results for "DF"

showing 10 items of 1699 documents

Structure-Directing and High-Efficiency Photocatalytic Hydrogen Production by Ag Clusters

2014

H2 production by water splitting is hindered mainly by the lack of low-cost and efficient photocatalysts. Here we show that sub-nanometric silver clusters can catalyze the anisotropic growth of gold nanostructures by preferential adsorption at certain crystal planes of Au seeds, with the result that the final nanostructure can be tuned via the cluster/seed ratio. Such semiconducting Ag clusters are extremely stable and retain their electronic structure even after adsorption at the tips of Au nanorods, enabling various photocatalytic experiments, such as oxygen evolution from basic solutions. In the absence of electron scavengers, UV irradiation generates photoelectrons, which are stored wit…

NanostructureChemistryInorganic chemistryFermi levelOxygen evolutionGeneral ChemistryDFT calculationsBiochemistryCatalysissymbols.namesakeColloid and Surface ChemistryChemical engineeringAu nanorodsub-nanometric Ag clusterSettore CHIM/03 - Chimica Generale E InorganicaPhotocatalysissymbolsCluster (physics)Water splittingNanorodH2 productionHydrogen production
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AB Initio Calculations of CUN@Graphene (0001) Nanostructures for Electrocatalytic Applications

2018

Funding from European Union’s Horizon 2020 Research and Innovation Programme project under grant agreement No. 768789 is greatly acknowledged.

NanostructureMaterials scienceQC1-999General Physics and Astronomy02 engineering and technologycu-decorated graphene010402 general chemistryDFT01 natural sciences7. Clean energyCu-decorated graphenelaw.inventionESMlawAb initio quantum chemistry methodsElectronic propertiesGraphenePhysicsGeneral Engineeringdft021001 nanoscience & nanotechnology0104 chemical sciencesesmChemical physicselectronic properties0210 nano-technologyLatvian Journal of Physics and Technical Sciences
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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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Ythdf is a N6‐methyladenosine reader that modulates Fmr1 target mRNA selection and restricts axonal growth in Drosophila

2021

Abstract N6‐methyladenosine (m6A) regulates a variety of physiological processes through modulation of RNA metabolism. This modification is particularly enriched in the nervous system of several species, and its dysregulation has been associated with neurodevelopmental defects and neural dysfunctions. In Drosophila, loss of m6A alters fly behavior, albeit the underlying molecular mechanism and the role of m6A during nervous system development have remained elusive. Here we find that impairment of the m6A pathway leads to axonal overgrowth and misguidance at larval neuromuscular junctions as well as in the adult mushroom bodies. We identify Ythdf as the main m6A reader in the nervous system,…

Nervous systemCancer ResearchAdenosineMessengerRNA-binding proteinBiologyArticleGeneral Biochemistry Genetics and Molecular BiologyFragile X Mental Retardation Protein03 medical and health scienceschemistry.chemical_compound0302 clinical medicinemedicineAnimalsDrosophila ProteinsFmr1; RNA modification; Ythdf; m6A; nervous systemRNA MessengerFmr1Molecular BiologyDrosophila030304 developmental biologyNeurons0303 health sciencesGeneral Immunology and MicrobiologyProteomics and Chromatin BiologyGeneral Neurosciencenervous systemRNA-Binding ProteinsTranslation (biology)Articlesm6AProtein Biosynthesis & Quality ControlRNA modificationYthdfbiology.organism_classificationRNA BiologyFMR1Fmr1; RNA modification; Ythdf; m6A; nervous system; Adenosine; Animals; Axons; Drosophila Proteins; Drosophila melanogaster; Fragile X Mental Retardation Protein; Neurons; RNA Messenger; RNA-Binding ProteinsAxonsCell biologyDrosophila melanogastermedicine.anatomical_structurechemistryMushroom bodiesRNATarget mrnaN6-Methyladenosine030217 neurology & neurosurgeryNeuroscienceThe EMBO Journal
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The effects of computer-based mindfulness training on Self-control and Mindfulness within Ambulatorily assessed network Systems across Health-related…

2016

Background Self-control is an important ability in everyday life, showing associations with health-related outcomes. The aim of the Self-control and Mindfulness within Ambulatorily assessed network Systems across Health-related domains (SMASH) study is twofold: first, the effectiveness of a computer-based mindfulness training will be evaluated in a randomized controlled trial. Second, the SMASH study implements a novel network approach in order to investigate complex temporal interdependencies of self-control networks across several domains. Methods The SMASH study is a two-armed, 6-week, non-blinded randomized controlled trial that combines seven weekly laboratory meetings and 40 days of e…

Network approachMedicine (miscellaneous)Ambulatory assessmentStudy ProtocolClinical ProtocolsSelf-controlRandomized controlled trialSample Size150 PsychologieHumansPharmacology (medical)Students150 PsychologyMindfulnessTrials
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Infopath tehnoloģijas iziešana no aprites - iespējamie aizvietotāji un to analīze

2016

Šajā darbā tiek runāts par veidlapu izmantošanu SharePoint vidē. Tika pētīta InfoPath Forms risinājuma funkcionalitāte un integrācija ar SharePoint vidi. Darba mērķis bija izpētīt alternatīvus risinājumus, kuri var aizstāt InfoPath Forms, par kuru tika izziņots, ka tas izies no aprites. Tika apskatīti produkti, kas ir piedāvāti InfoPath tematiskajās vietnēs. Tika analizētas risinājumu iespējas, vājās vietas un guvumi, salīdzinājumā ar InfoPath. Darbā tika aprakstīts katra rīka, parastas veidlapas izveides process un ir apkopoti secinājumi. Darbā tika izveidots viens no populārākiem InfoPath veidlapas darbplūsmas scenārijiem un tika pārbaudīts, kā katrs no piedāvātiem aizvietotājrīkiem pārva…

NintexDatorzinātneInfoPathPDFveidlapasSharePoint
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The “Journal of Functional Morphology and Kinesiology” Journal Club Series: Highlights of Recent Papers in Pediatric Exercise

2019

We are glad to introduce the ninth Journal Club. This edition is focused on several relevant studies published in the last years in the field of Pediatric Exercise, chosen by our Editorial Board members and their colleagues. We hope to stimulate your curiosity in this field and to share with you the passion for the sport as seen also from the scientific point of view. The Editorial Board members wish you an inspiring lecture.

Ninthlcsh:Diseases of the musculoskeletal systemHistologymedia_common.quotation_subjectPhysical Therapy Sports Therapy and RehabilitationPassionEditorial board030204 cardiovascular system & hematology03 medical and health sciences0302 clinical medicineRheumatologyFunctional morphologyOrthopedics and Sports Medicinemedia_commonJournal club health promotion fitness sportMedical educationKinesiology030229 sport sciencesEditorialn/aCuriositylcsh:RC925-935AnatomyJournal clubPsychologySettore M-EDF/01 - Metodi E Didattiche Delle Attivita' MotorieJournal of Functional Morphology and Kinesiology
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Proton tautomerism in 2-nitramino-C-nitropyridine derivatives - Experimental and quantum chemical study

2019

Abstract The structures of 2-nitramino-3-nitropyridine and 2-nitramino-5-nitropyridine have been characterized by X-ray diffraction and Density Functional Theory (DFT) studies. In the crystals, both compounds exist as the imino forms. The DFT calculations were performed in order to explore the amino-imino tautomerism of the studied compounds in the gas phase and the influence of solvent polarity on the tautomeric equilibrium. The Harmonic Oscillator Model of Aromaticity index (HOMA) and Nucleus Independent Chemical Shift (NICS) calculated for the pyridine rings of the studied systems, demonstrated a noticeable decrease in aromaticity of the imino forms. This study showed also that the highe…

NitraminopyridinesProton010405 organic chemistryHydrogen bondAromaticityOrganic ChemistryCrystal and molecular structureAromaticity010402 general chemistryDFT calculations01 natural sciencesTautomer0104 chemical sciencesAnalytical ChemistryInorganic Chemistrychemistry.chemical_compoundchemistryComputational chemistryIntramolecular forcePyridineDensity functional theorySpectroscopyHarmonic oscillatorTautomerismJournal of Molecular Structure
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Real-Time Vector Automata

2013

We study the computational power of real-time finite automata that have been augmented with a vector of dimension k, and programmed to multiply this vector at each step by an appropriately selected k×k matrix. Only one entry of the vector can be tested for equality to 1 at any time. Classes of languages recognized by deterministic, nondeterministic, and "blind" versions of these machines are studied and compared with each other, and the associated classes for multicounter automata, automata with multiplication, and generalized finite automata.

Nondeterministic algorithmDiscrete mathematicsMatrix (mathematics)TheoryofComputation_MATHEMATICALLOGICANDFORMALLANGUAGESTheoryofComputation_COMPUTATIONBYABSTRACTDEVICESFinite-state machineDimension (vector space)Computer scienceMultiplicationNonlinear Sciences::Cellular Automata and Lattice GasesComputer Science::Formal Languages and Automata TheoryAutomatonPower (physics)
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Data-based modeling of vehicle collisions by nonlinear autoregressive model and feedforward neural network

2013

Vehicle crash test is the most direct and common method to assess vehicle crashworthiness. Visual inspection and obtained measurements, such as car acceleration, are used, e.g. to examine impact severity of an occupant or to assess overall car safety. However, those experiments are complex, time-consuming, and expensive. We propose a method to reproduce car kinematics during a collision using nonlinear autoregressive (NAR) model which parameters are estimated by the use of feedforward neural network. NAR model presented in this study is derived from the more general one - nonlinear autoregressive with moving average (NARMA). Suitability of autoregressive systems for data-based modeling was …

Nonlinear autoregressive exogenous modelInformation Systems and ManagementArtificial neural networkComputer scienceCrash testComputer Science ApplicationsTheoretical Computer ScienceAccelerationAutoregressive modelArtificial IntelligenceControl and Systems EngineeringMoving averageCrashworthinessFeedforward neural networkVehicle accelerationSoftwareSimulationInformation Sciences
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