Search results for "electrons"

showing 10 items of 1325 documents

Valence Topological Charge-Transfer Indices for Dipole Moments

2003

Valence topological charge-transfer (CT) indices are applied to the calculation of dipole moments. The dipole moments calculated by algebraic and vector semisums of the CT indices are defined. The combination of the CT indices allows the estimation of the dipole moments. The model is generalized for molecules with heteroatoms. The ability of the indices for the description of the molecular charge distribution is established by comparing them with the dipole moment of the valence-isoelectronic series of benzene and styrene. Two CT indices, μ v e c (vector semisum of vertex-pair dipole moments) and μ V v e c (valence μ v e c ) are proposed. μ v e c and μ V v e c are important for the predicti…

Protein ConformationHeteroatomPharmaceutical ScienceBiochemistryAnalytical ChemistryElectricityComputational chemistryDrug DiscoveryPhysicsvalence topological charge-transfer indexChemistryCharge densityGeneral Medicinemolecular charge distributionCondensed Matter Physicstransdermal drug deliveryChemistry (miscellaneous)Molecular MedicineAtomic physicsInformation SystemsSteric effectsBond dipole momentStatic ElectricityTransition dipole momentBiophysicsElectronsFractal dimensionMolecular physicsBiophysical PhenomenaArticleCatalysislcsh:QD241-441Inorganic Chemistrylcsh:Organic chemistryAtomic orbitalMoleculePhysical and Theoretical ChemistryMolecular BiologyStyreneTopological quantum numberDipole momentModels StatisticalValence (chemistry)Chemical polarityOrganic ChemistryBenzeneModels Theoreticalvalence topological chargetransfer indexElectric dipole momentDipolephenyl alcoholModels ChemicalMoment (physics)Electric dipole transitionMolecules
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Conformational investigation of alpha,beta-dehydropeptides. VIII. N-acetyl-alpha,beta-dehydroamino acid N'-methylamides: conformation and electron de…

2009

The Fourier transform infrared spectra are analyzed in the regions of Vs(N-H), amide I, amide II and Vs(C alpha = C beta) bands for a series of Ac-delta Xaa-NHMe, where delta Xaa = delta Ala, (Z)-delta Abu, (Z)-delta Leu, (Z)-delta Phe and delta Val, to determine the predominant solution conformation of these alpha,beta-dehydropeptide-related molecules and the electron distribution perturbation in their amide bonds. The measurements were performed in dichloromethane (DCM). To confirm and rationalize the assignments, the spectra of the respective series of saturated Ac-Xaa-NHMe, recorded in DCM, and the spectra of these two series of unsaturated and saturated compounds, recorded in acetonitr…

Protein ConformationαAb initioElectronsBiochemistrychemistry.chemical_compoundEndocrinologyDehydroalanineComputational chemistryAb initio quantum chemistry methodsamidic resonanceAmideSpectroscopy Fourier Transform InfraredMoleculePeptide bondC5 hydrogen bondC5 conformationFourier transform infrared spectroscopyamide bond lengthβ‐dehydroamino acidsHydrogen bondab initio calculationsdehydroalanineAmidesMolecular WeightCrystallographyFTIR spectroscopychemistryPeptidesΔ‐electron conjugationThe journal of peptide research : official journal of the American Peptide Society
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Refolding of the integral membrane protein light-harvesting complex II monitored by pulse EPR

2009

The major light-harvesting chlorophyll a / b complex (LHCII) of the photosynthetic apparatus in plants self-organizes in vitro. The recombinant apoprotein, denatured in dodecyl sulfate, spontaneously folds when it is mixed with its pigments, chlorophylls, and carotenoids in detergent solution, and assembles into structurally authentic LHCII in the course of several minutes. Pulse EPR techniques, specifically double-electron-electron resonance (DEER), have been used to analyze protein folding during this process. Pairs of nitroxide labels were introduced site-specifically into recombinant LHCII and shown not to affect the stability and function of the pigment-protein complex. Interspin dist…

Protein DenaturationProtein FoldingTime FactorsMultidisciplinaryPulsed EPRSuperhelixChemistryElectron Spin Resonance SpectroscopyLight-Harvesting Protein ComplexesPeasMembrane ProteinsElectronsBiological SciencesModels BiologicalProtein Structure SecondaryTransmembrane domainB vitaminsCrystallographyProtein structureMutationHelixSpin LabelsProtein foldingApoproteinsIntegral membrane proteinProceedings of the National Academy of Sciences
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"Table 4" of "Search for direct top squark pair production in final states with one isolated lepton, jets, and missing transverse momentum in sqrt(s)…

2012

The stop pair production cross section and its uncertainty due to PDF, factorization and the renormalization scales.

Proton-Proton ScatteringHigh Energy Physics::LatticeExclusiveTop7000.0Condensed Matter::Strongly Correlated ElectronsP P --> LEPTON JETS MMJet ProductionACC
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"Table 9" of "Search for supersymmetry in events with three leptons and missing transverse momentum in sqrt(s) = 7 TeV pp collisions with the ATLAS d…

2012

Invariant mass of the same-flavour-opposite-sign (SFOS) lepton pair for events in the SR1 signal region for DATA and SM predictions.

Proton-Proton ScatteringHigh Energy Physics::PhenomenologyExclusiveSUSY7000.0Condensed Matter::Strongly Correlated ElectronsHigh Energy Physics::ExperimentSupersymmetryJet ProductionNP P --> 3LEPTONS JETS MM
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"Table 20" of "Search for supersymmetry in events with three leptons and missing transverse momentum in sqrt(s) = 7 TeV pp collisions with the ATLAS …

2012

The Systematic Uncertainty of the data (excluding the Monte Carlo) in signal region SR1 for the SUSY pMSSM model with M1=100 GeV grid.

Proton-Proton ScatteringP P --> 3LEPTON JET(S) MMHigh Energy Physics::PhenomenologyIntegrated Cross SectionExclusiveSUSY7000.0Condensed Matter::Strongly Correlated ElectronsHigh Energy Physics::ExperimentSupersymmetryJet ProductionCross SectionSIG
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Homomorphisms between Algebras of Holomorphic Functions

2014

For two complex Banach spaces X and Y, in this paper, we study the generalized spectrum M-b(X,Y) of all nonzero algebra homomorphisms from H-b(X), the algebra of all bounded type entire functions on X into H-b(Y). We endow M-b(X,Y) with a structure of Riemann domain over L(X*,Y*) whenever.. is symmetrically regular. The size of the fibers is also studied. Following the philosophy of ( Aron et al., 1991), this is a step to study the set M-b,M-infinity (X,B-Y) of all nonzero algebra homomorphisms from Hb(b) (X) into H-infinity (B-Y) of bounded holomorphic functions on the open unit ball of Y and M-infinity(B-X,B-Y) of all nonzero algebra homomorphisms from H-infinity(B-X) into H infinity (B-Y…

Pure mathematicsArticle SubjectMatemáticasEntire functionBanach spaceHolomorphic functionAlgebra homomorphismsPolynomialsBounded typeMatemática Pura//purl.org/becyt/ford/1 [https]Holomorphic functionsSpectrumAnalytic functionsBall (mathematics)MathematicsDiscrete mathematicsStatistics::ApplicationsApplied Mathematicslcsh:Mathematics//purl.org/becyt/ford/1.1 [https]TheoremSpectraMappingslcsh:QA1-939Banach spacesBounded functionCondensed Matter::Strongly Correlated ElectronsHomomorphismMATEMATICA APLICADACIENCIAS NATURALES Y EXACTASAnalysisContinuityAnalytic functionAbstract and Applied Analysis
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Imprinting and driving electronic orbital magnetism using magnons

2020

Magnons, as the most elementary excitations of magnetic materials, have recently emerged as a prominent tool in electrical and thermal manipulation and transport of spin, and magnonics as a field is considered as one of the pillars of modern spintronics. On the other hand, orbitronics, which exploits the orbital degree of freedom of electrons rather than their spin, emerges as a powerful platform in efficient design of currents and redistribution of angular momentum in structurally complex materials. Here, we uncover a way to bridge the worlds of magnonics and electronic orbital magnetism, which originates in the fundamental coupling of scalar spin chirality, inherent to magnons, to the orb…

QB460-466Condensed Matter - Strongly Correlated ElectronsCondensed Matter::Materials ScienceStrongly Correlated Electrons (cond-mat.str-el)Condensed Matter::OtherPhysicsQC1-999FOS: Physical sciencesCondensed Matter::Strongly Correlated Electronsddc:530Astrophysics530
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Efficient conversion of orbital Hall current to spin current for spin-orbit torque switching

2021

Spin Hall effect, an electric generation of spin current, allows for efficient control of magnetization. Recent theory revealed that orbital Hall effect creates orbital current, which can be much larger than spin Hall-induced spin current. However, orbital current cannot directly exert a torque on a ferromagnet, requiring a conversion process from orbital current to spin current. Here, we report two effective methods of the conversion through spin-orbit coupling engineering, which allows us to unambiguously demonstrate orbital-current-induced spin torque, or orbital Hall torque. We find that orbital Hall torque is greatly enhanced by introducing either a rare-earth ferromagnet Gd or a Pt in…

QC1-999FOS: Physical sciencesGeneral Physics and AstronomyApplied Physics (physics.app-ph)AstrophysicsMagnetizationHall effectMesoscale and Nanoscale Physics (cond-mat.mes-hall)ddc:530Spin (physics)CouplingPhysicsCondensed Matter - Materials ScienceCondensed matter physicsSpintronicsCondensed Matter - Mesoscale and Nanoscale PhysicsPhysicsMaterials Science (cond-mat.mtrl-sci)Physics - Applied PhysicsCondensed Matter::Mesoscopic Systems and Quantum Hall EffectQB460-466FerromagnetismSpin Hall effectCondensed Matter::Strongly Correlated ElectronsAstrophysics::Earth and Planetary AstrophysicsCurrent (fluid)
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Enantiomeric quality control of antihistamines in pharmaceuticals by affinity electrokinetic chromatography with human serum albumin as chiral select…

2007

The present paper deals with the enantiomeric separation of six antihistaminic enantiomers by affinity electrokinetic chromatography (AEKC)-partial filling technique using human serum albumin (HSA) as chiral selector. A multivariate optimization approach of the most critical experimental variables in enantioresolution, running pH, HSA concentration and HSA plug length (SPL) was carried out since there are interactions between variables that could not be considered in an univariate optimization. The estimated and experimental resolution values obtained for antihistaminic enantiomers varied from 1.13 (for orphenadrine) to 2.15 (for brompheniramine). The optimum experimental conditions for ena…

Quality ControlSerum albuminElectronsBeta-CyclodextrinsBiochemistryChromatography AffinityAnalytical ChemistryChlorcyclizineAffinity chromatographyOrphenadrinemedicineHumansEnvironmental ChemistrySerum AlbuminSpectroscopyChromatographybiologyChemistrybeta-CyclodextrinsStereoisomerismBrompheniramineHuman serum albuminSolutionsbody regionsKineticsPharmaceutical PreparationsCalibrationembryonic structuresHistamine H1 Antagonistsbiology.proteinEnantiomermedicine.drugAnalytica Chimica Acta
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