Search results for "ddc:"

showing 10 items of 3080 documents

Quantifying the Covalent Functionalization of Black Phosphorus

2020

Abstract A straightforward quantification method to consistently determine the overall functionalization degree of covalently modified two‐dimensional (2D) black phosphorus (BP) by Raman spectroscopy has been carried out. Indeed, the successful reductive methylation of the BP lattice using sodium intercalation compounds and exhibiting different functionalization degrees has been demonstrated by 31P‐magic angle spinning (MAS) NMR spectroscopy. Furthermore, the correlation of 31P‐MAS NMR spectroscopy and statistical Raman spectroscopy (SRS) revealed the first method to determine the functionalization degree of BP solely by evaluating the intensities of distinct peaks in the Raman spectra of t…

Intercalation (chemistry)reduction010402 general chemistry01 natural sciencesCatalysisBlack phosphoruslaw.inventionCovalent functionalizationsymbols.namesakelawMaterialsResearch Articles010405 organic chemistryGrapheneChemistryGeneral ChemistryNuclear magnetic resonance spectroscopy3. Good health0104 chemical sciencesEspectroscòpia Ramancovalent functionalizationCovalent bondBlack PhosphorusRaman spectroscopyddc:540symbolsSurface modificationPhysical chemistryRaman spectroscopyResearch Article31P-MAS NMR spectroscopy
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Wannier90 as a community code: new features and applications

2019

Wannier90 is an open-source computer program for calculating maximally-localised Wannier functions (MLWFs) from a set of Bloch states. It is interfaced to many widely used electronic-structure codes thanks to its independence from the basis sets representing these Bloch states. In the past few years the development of Wannier90 has transitioned to a community-driven model; this has resulted in a number of new developments that have been recently released in Wannier90 v3.0. In this article we describe these new functionalities, that include the implementation of new features for wannierisation and disentanglement (symmetry-adapted Wannier functions, selectively-localised Wannier functions, s…

Interface (Java)02 engineering and technologysemiconductors01 natural sciencesGeneral Materials Sciencefieldslocal orbitalCondensed Matter - Materials ScienceUnit testingComputer programBasis (linear algebra)electronstooldynamicsComputational Physics (physics.comp-ph)021001 nanoscience & nanotechnologyCondensed Matter Physicsspin polarizationreal-space methods[PHYS.COND.CM-MS]Physics [physics]/Condensed Matter [cond-mat]/Materials Science [cond-mat.mtrl-sci]0210 nano-technologyPhysics - Computational PhysicspseudopotentialsconstructionMaterials sciencelocal orbitalsFluids & Plasmasreal-space method0204 Condensed Matter PhysicsFOS: Physical sciencesComputational sciencecrystalSet (abstract data type)band structure interpolation0103 physical sciencesddc:530Wannier function010306 general physics0912 Materials Engineeringdensity-functional theoryWannier orbitalWannier function1007 Nanotechnologybusiness.industrywannier orbitalsMaterials Science (cond-mat.mtrl-sci)Usabilitywannier functionsWannier functions; band structure interpolation; local orbitals; real-space methods; electronic structure; Wannier orbitals; density-functional theoryelectronic structureAutomationtotal-energy calculationsbusiness
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Update of the Binoth Les Houches Accord for a standard interface between Monte Carlo tools and one-loop programs

2014

We present an update of the Binoth Les Houches Accord (BLHA) to standardise the interface between Monte Carlo programs and codes providing one-loop matrix elements.

Interface (Java)Computer scienceCollider physics530 PhysicsMonte Carlo methodGeneral Physics and AstronomyFOS: Physical sciences10192 Physics Institute01 natural sciencesComputational scienceMatrix (mathematics)AutomationPhysics and Astronomy (all)High Energy Physics - Phenomenology (hep-ph)Collider physic0103 physical sciencesStatistical physics010306 general physicsCollider physicsParticle Physics - PhenomenologyMonte Carlo programNLO computationNLO computationsLOOP (programming language)010308 nuclear & particles physics1708 Hardware and ArchitectureMonte Carlo programsLes Houches Accord3100 General Physics and AstronomyHigh Energy Physics - PhenomenologyHardware and Architecture[PHYS.HPHE]Physics [physics]/High Energy Physics - Phenomenology [hep-ph]Computer Science::Programming Languagesddc:004
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Induction of regulatory Tr1 cells and inhibition of TH17 cells by IL-27

2011

Accumulating evidence indicates that IL-27, a member of the IL-12 family of cytokines, alleviates the severity of autoimmune diseases in both mice and men. The IL-27-induced activation of signal transducer and activator of transcription (Stat)1 and Stat3 promotes the generation of IL-10- producing type 1 regulatory T (Tr1) cells that inhibit effector T cells. In addition, IL-27 also suppresses the development of pathogenic IL-17-producing CD4(+) T cells (T(H)17) cells suggesting that pharmacological manipulations of IL-27 signaling pathway could be exploited therapeutically in regulating tissue inflammation. Here, we review how IL-27 controls inflammation through the regulation of Tr1 and T…

Interleukins/immunologyImmunologyInterleukin-10/biosynthesis/immunologyT-Lymphocytes Regulatory/immunologyddc:616.07T-Lymphocytes RegulatoryArticleAutoimmune Diseases03 medical and health sciences0302 clinical medicineImmunology and AllergyCytotoxic T cellTh17 Cells/immunologyAnimalsHumansIL-2 receptorSTAT3STAT4030304 developmental biology0303 health sciencesbiologyZAP70InterleukinsFOXP33. Good healthCell biologyddc:616.8Interleukin-10Interleukin 10Autoimmune Diseases/immunologyImmunologyInterleukin 12biology.proteinTh17 Cells030215 immunology
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Integrating psychological and neurobiological considerations regarding the development and maintenance of specific Internet-use disorders: An Interac…

2016

Within the last two decades, many studies have addressed the clinical phenomenon of Internet-use disorders, with a particular focus on Internet-gaming disorder. Based on previous theoretical considerations and empirical findings, we suggest an Interaction of Person-Affect-Cognition-Execution (I-PACE) model of specific Internet-use disorders. The I-PACE model is a theoretical framework for the processes underlying the development and maintenance of an addictive use of certain Internet applications or sites promoting gaming, gambling, pornography viewing, shopping, or communication. The model is composed as a process model. Specific Internet-use disorders are considered to be the consequence …

Internet addictionProcess (engineering)Cognitive Neurosciencemedia_common.quotation_subjectCue-reactivityAffect (psychology)Executive functions03 medical and health sciencesBehavioral NeuroscienceCognition0302 clinical medicineddc:150Internet-use disordersHumansPornographySituational ethicsInhibitory controlInternet-gaming disordermedia_commonInternetbusiness.industryAddictionCognitionKognition [Fakultät für Ingenieurwissenschaften » Informatik und Angewandte Kognitionswissenschaft » Angewandte Kognitions- und Medienwissenschaft » Allgemeine Psychologie]Cognitive biasForschungszentren » Erwin L. Hahn Institute for Resonance Imaging030227 psychiatryBehavior AddictiveNeuropsychology and Physiological PsychologyVideo Gamesddc:15PsychologieGamblingThe InternetbusinessPsychologySocial psychology030217 neurology & neurosurgeryCognitive psychologyNeuroscience & Biobehavioral Reviews
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Purchasing Behaviour of Polish Consumers in the Internet

2017

In recent years we may observe the growing importance of the Internet in the lives of consumers. As the data from Central Statistical Office (GUS) shows, in 2015 approximately 75.8% of Polish households had access to the Internet. The value of e-commerce is estimated at PLN 27 billion. 54% of Internet users buy in Polish e-shops and 13% in foreign internet shops. The threat of violations of consumer rights, including cybercrime, is on the increase. This requires caution, the knowledge of legislative solutions and litigation methods of exerting consumers' rights on the part of customers. The article focuses on the purchasing behaviour of Internet users taking into account consumer rights and…

Internetbusiness.industryddc:330D12O3BehaviourConsumersThe InternetAdvertisingbusinessPurchasingEconomic and Environmental Studies
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The Adoption of The Internet of Things by Young Consumers – an Empirical Investigation

2017

On the background of theoretical considerations and literature review, this article presents the results of the preliminary study of young consumers about their adoption of the Internet of Things (IoT) - treated as the emerging technology, creating a new quality of information technology usage, despite perceived costs and privacy concerns. The data for the analysis came from purpose sample of 223 young consumers from Eastern Poland via CAWI questionnaire. The primary goal of the research was to explore the adoption of IoT by young consumers in Poland regarding the level of adoption and factors explaining this phenomenon. The main analysis used univariate analysis of variance (UNIANOVA) and …

IoTO33business.industryInternet of Thingsinformation technology adoption05 social sciencesInternet privacy02 engineering and technologyconsumers020204 information systems0502 economics and businessddc:3300202 electrical engineering electronic engineering information engineeringD12050211 marketingInternet of ThingsbusinessPsychologypreliminary modelEconomic and Environmental Studies
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Towards high-resolution laser ionization spectroscopy of the heaviest elements in supersonic gas jet expansion

2017

Resonant laser ionization and spectroscopy are widely used techniques at radioactive ion beam facilities to produce pure beams of exotic nuclei and measure the shape, size, spin and electromagnetic multipole moments of these nuclei. However, in such measurements it is difficult to combine a high efficiency with a high spectral resolution. Here we demonstrate the on-line application of atomic laser ionization spectroscopy in a supersonic gas jet, a technique suited for high-precision studies of the ground- and isomeric-state properties of nuclei located at the extremes of stability. The technique is characterized in a measurement on actinium isotopes around the N=126 neutron shell closure. A…

Ion beamScienceGeneral Physics and Astronomy[PHYS.NEXP]Physics [physics]/Nuclear Experiment [nucl-ex]01 natural sciences7. Clean energyGeneral Biochemistry Genetics and Molecular BiologyArticlelaw.inventionlawIonization0103 physical sciencesspectral resolutionNeutronSpectral resolution010306 general physicsSpectroscopyNuclear ExperimentPhysicsJet (fluid)Multidisciplinaryta114010308 nuclear & particles physicsQGeneral ChemistryLaserlaser ionization spectroscopyAtom laserexotic nucleisupersonic gas jetddc:500Atomic physics
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Long-ranged and soft interactions between charged colloidal particles induced by multivalent coions

2015

Forces between charged particles in aqueous solutions containing multivalent coions and monovalent counterions are studied by the colloidal probe technique. Here, the multivalent ions have the same charge as the particles, which must be contrasted to the frequently studied case where multivalent ions have the opposite sign as the substrate. In the present case, the forces remain repulsive and are dominated by the interactions of the double layers. The valence of the multivalent coion is found to have a profound influence on the shape of the force curve. While for monovalent coions the force profile is exponential down to separations of a few nanometers, the interaction is much softer and lo…

Ionschemistry.chemical_classificationValence (chemistry)Aqueous solutionLatexSurface PropertiesForce profileChemistryStatic ElectricityGeneral ChemistrySilicon DioxideCondensed Matter PhysicsCharged particleIonColloidal probe techniqueCrystallographyColloidal particleChemical physicsddc:540Colloids[PHYS.PHYS.PHYS-CHEM-PH]Physics [physics]/Physics [physics]/Chemical Physics [physics.chem-ph]CounterionComputingMilieux_MISCELLANEOUS
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A fundamental catalytic difference between zinc and manganese dependent enzymes revealed in a bacterial isatin hydrolase

2018

Scientific reports 8(1), 13104 (2018). doi:10.1038/s41598-018-31259-y

IsatinModels Molecular0301 basic medicineStereochemistryGlutaminelcsh:Medicine010402 general chemistry01 natural sciencesArticleAmidohydrolasesCatalysisEvolution Molecular03 medical and health scienceschemistry.chemical_compoundBacterial ProteinsCatalytic DomainHydrolaseCatalytic triadAmino Acid SequenceRhodobacteraceaelcsh:ScienceConserved SequenceKynureninechemistry.chemical_classificationManganeseMultidisciplinarybiologyAmidohydrolaseHydrolysisIsatinlcsh:RActive site6000104 chemical sciencesZinc030104 developmental biologyEnzymechemistryBiocatalysisArylformamidaseBiocatalysisbiology.proteinQuantum Theorylcsh:QProtonsddc:600
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