Search results for "coupling [Higgs particle]"

showing 10 items of 443 documents

A Unique Discrete Tetranuclear Cu′–Cu(N-N)2Cu–Cu′ Copper(II) Complex, Built from a μ3-1,2,4-Triazolato-μ-carboxylato Ligand, as an Effective DNA Clea…

2012

The title compound, characterized by means of an X-ray structure analysis, represents an easy example of a noncatena "1 + 2 + 1" tetranuclear copper(II) μ(3)-triazolate compound. [Cu(4)(atc)(2)(dien)(4)(ClO(4))(2)](ClO(4))(2)·2H(2)O (1), where H(2)atc = 5-amino-l,2,4-triazole-3-carboxylic acid and dien = diethylenetriamine = 1,4,7-triazaheptane, contains two copper atoms linked by a double diazinic bridge, each of which is further connected to a third and fourth copper atom (Cu') through the triply bridging triazolato ring and the bidentate carboxylato group of the atc(2-) ligands. The copper-copper distances within the tetranuclear unit are Cu-Cu = 4.059 Å, Cu-Cu' = 5.686 and 6.370 Å, and …

Models MolecularDenticityStereochemistryCarboxylic Acidschemistry.chemical_elementCrystallography X-RayLigandsInorganic Chemistrychemistry.chemical_compoundDna cleavageOrganometallic CompoundsAntiferromagnetismMoleculeDNA CleavagePhysical and Theoretical ChemistryCoupling constantMolecular StructureLigandDNATriazolesCopperCrystallographychemistryDiethylenetriamineCopperPlasmidsInorganic Chemistry
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What is the form of muscimol from fly agaric mushroom (Amanita muscaria) in water? An insight from NMR experiment supported by molecular modeling.

2020

ARTYKUŁ Z BADAŃ SPECJALNYCH

Models MolecularMagnetic Resonance SpectroscopyAmanita010402 general chemistry01 natural scienceschemistry.chemical_compoundReceptors GABAComputational chemistryMoleculeHumansGeneral Materials ScienceGABA-A Receptor Antagonistsindirect spin‐spin coupling constantsNMR in waterDensity Functional TheoryCarbon Isotopesbiology010405 organic chemistryAgaricmolecular modelingMuscimolChemical shiftWaterGeneral ChemistryCarbon-13 NMRbiology.organism_classification0104 chemical sciencesSolventnervous systemchemistryMuscimolGIAO NMRZwitterionProtonsAmanita muscariaMagnetic resonance in chemistry : MRCREFERENCES
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On novel magnetic probe for fullerene characterization: Theoretical studies on NMR parameters of free and confined in fullerenes HD and H2 molecules

2015

Chemical characterization and separation of individual fullerenes from a raw reaction mixture need new and efficient tools, including rapid spectroscopic techniques. Recent "molecular surgery" synthesis of endohedral complexes of fullerenes with selected atoms and small molecules has opened a new path for experimental and theoretical studies on structural and spectroscopic properties of these molecular systems. Among them are fullerenes with molecular hydrogen confined within a nanoscale cavity. In this work we report on quantum-chemical prediction of nuclear magnetic shielding (and chemical shift) and indirect spin-spin coupling constant in free HD and H2 molecules, as well as models of co…

Models MolecularMagnetic Resonance SpectroscopyFullereneHydrogenchemistry.chemical_element010402 general chemistry01 natural sciencesDFTComputational chemistryHD molecule0103 physical sciencesPhysics::Atomic and Molecular ClustersMaterials ChemistryMoleculeCCSD(T)Physical and Theoretical ChemistrySpectroscopyCoupling constant010304 chemical physicsfullereneBenzeneNuclear magnetic resonance spectroscopyComputer Graphics and Computer-Aided DesignSmall molecule0104 chemical sciencesCoupled clusterModels ChemicalchemistryChemical physicsconstansAnisotropyQuantum TheoryDensity functional theoryFullerenesindirect nuclear spin–spin couplingHydrogenJournal of Molecular Graphics and Modelling
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3-acetylaltholactone and related styryl-lactones, mitochondrial respiratory chain inhibitors.

2000

A novel furano-pyrone, 3-acetylaltholactone, and two other known styryl-lactones, altholactone and 5-acetoxyisogoniothalamin oxide, have been isolated from Goniothalamus arvensis (Annonaceae) stem bark. We report here the isolation and structural elucidation of these compounds with furane-pyrone and styryl-pyrone skeletons, postulating also for the first time their mechanism of cytotoxicity based on inhibition on mammalian mitochondrial respiratory chain.

Models MolecularStereochemistryChemical structureSubmitochondrial ParticlesMolecular ConformationPlant ScienceHorticultureBiochemistryMitochondria HeartStyrenesLactonesOxygen ConsumptionAnimals3-acetylaltholactoneCytotoxicityFuransMolecular BiologyGoniothalamusStem barkPlants MedicinalbiologyMolecular StructurePlant StemsUncoupling AgentsGeneral Medicinebiology.organism_classificationNADKineticsMitochondrial respiratory chainAnnonaceaePyronesvisual_artvisual_art.visual_art_mediumBarkCattlePhytochemistry
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Surrogate Data Analysis for Assessing the Significance of the Coherence Function

2004

In cardiovascular variability analysis, the significance of the coupling between two time series is commonly assessed by setting a threshold level in the coherence function. While traditionally used statistical tests consider only the parameters of the adopted estimator, the required zero-coherence level may be affected by some features of the observed series. In this study, three procedures, based on the generation of surrogate series sharing given properties with the original but being structurally uncoupled, were considered: independent identically distributed (IID), Fourier transform (FT), and autoregressive (AR). IID surrogates maintained the distribution of the original series, while …

Myocardial InfarctionBiomedical EngineeringBlood PressureSurrogate dataSpectral analysisymbols.namesakeHeart RateStatisticsCoherence functionHumansCoherence (signal processing)Computer SimulationStatistical physicsCoupling significanceSpurious relationshipMathematicsStatistical hypothesis testingRespirationModels CardiovascularSpectral densityEstimatorCardiovascular variabilityFourier transformAutoregressive modelData Interpretation StatisticalsymbolsRegression AnalysisSurrogate dataAlgorithmsIEEE Transactions on Biomedical Engineering
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1H,13C,17O NMR and IR spectroscopic study of all methyl chloropropanoates

1994

1 H, 13 C and 17 O NMR chemical shifts, n J(H,H) and n J(C,H) spin-spin coupling constants and IR absorption maxima and intensities for the most characteristic bands of methyl propanoate and all eleven chloropropanoic acid methyl esters are reported

NMR spectra databaseCoupling constantOxygen-17Ir absorptionStereochemistryChemistryChemical shiftHydrogen-1Carbon-13Physical chemistryInfrared spectroscopyGeneral Materials ScienceGeneral ChemistryMagnetic Resonance in Chemistry
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Biomolecular conjugation inside synthetic polymer nanopores via glycoprotein-lectin interactions

2011

We demonstrate the supramolecular bioconjugation of concanavalin A (Con A) protein with glycoenzyme horseradish peroxidase (HRP) inside single nanopores, fabricated in heavy ion tracked polymer membranes. Firstly, the HRP-enzyme was covalently immobilized on the inner wall of the pores using carbodiimide coupling chemistry. The immobilized HRP-enzyme molecules bear sugar (mannose) groups available for the binding of Con A protein. Secondly, the bioconjugation of Con A on the pore wall was achieved through its biospecific interactions with the mannose residues of the HRP enzyme. The immobilization of biomolecules inside the nanopore leads to the reduction of the available area for ionic tran…

NanometresSynthetic membraneTransport equationNanoporesInformation processingRectification propertiesCylinders (shapes)Materials TestingConcanavalin AGeneral Materials ScienceFunctional polymersConical nanoporeschemistry.chemical_classificationChemistryBlocking effectElectric rectifiersComputer simulationEnzymesData processingNanoporeEnzyme moleculesFunctional polymersMolecular imprintingPorosityBio-molecularInner wallsMolecular imprintingSupramolecular chemistryNanotechnologyHorseradish peroxidaseIonic transportsNanocapsulesBio-conjugationMoleculeParticle SizeAqueous solutionsGlycoproteinsBiomoleculesBioconjugationBiomoleculeNanostructuresModel simulationChemical engineeringModels ChemicalPolymer membraneConductance stateFISICA APLICADABiospecific interactionSynthetic polymersSugarsSupramolecular chemistryPore wallCarbodiimide-coupling chemistry
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Effects of $CP$-violating internucleon interactions in paramagnetic molecules

2020

We demonstrate that electron electric dipole moment experiments with molecules in paramagnetic state are sensitive to $P,T$-violating nuclear forces and other $CP$-violating parameters in the hadronic sector. These experiments, in particular, measure the coupling constant $C_{SP}$ of the $CP$-odd contact semileptonic interaction. We establish relations between $C_{SP}$ and different $CP$-violating hadronic parameters including strength constants of the $CP$-odd nuclear potentials, $CP$-odd pion-nucleon interactions, quark-chromo EDM and QCD vacuum angle. These relations allow us to find limits on various $CP$-odd hadronic parameters.

Nuclear TheoryAtomic Physics (physics.atom-ph)HadronQCD vacuumNuclear TheoryFOS: Physical sciences01 natural sciencesMeasure (mathematics)Physics - Atomic PhysicsNuclear physicsNuclear Theory (nucl-th)ParamagnetismHigh Energy Physics - Phenomenology (hep-ph)0103 physical sciencesNuclear force010306 general physicsNuclear ExperimentPhysicsCoupling constant010308 nuclear & particles physicsHigh Energy Physics::PhenomenologyState (functional analysis)Electron electric dipole moment3. Good healthHigh Energy Physics - PhenomenologyHigh Energy Physics::Experiment
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Determination of accurate rest frequencies and hyperfine structure parameters of cyanobutadiyne, HC5N

2020

Very accurate transition frequencies of HC$_5$N were determined between 5.3 and 21.4 GHz with a Fourier transform microwave spectrometer. The molecules were generated by passing a mixture of HC$_3$N and C$_2$H$_2$ highly diluted in neon through a discharge valve followed by supersonic expansion into the Fabry-Perot cavity of the spectrometer. The accuracies of the data permitted us to improve the experimental $^{14}$N nuclear quadrupole coupling parameter considerably and the first experimental determination of the $^{14}$N nuclear spin-rotation parameter. The transition frequencies are also well suited to determine in astronomical observations the local speed of rest velocities in molecula…

Nuclear TheoryFOS: Physical scienceschemistry.chemical_element010402 general chemistry01 natural sciencesNeonsymbols.namesakePhysics - Chemical Physics0103 physical sciencesPhysics - Atomic and Molecular ClustersPhysical and Theoretical ChemistryInstrumentation and Methods for Astrophysics (astro-ph.IM)Hyperfine structureSpectroscopyChemical Physics (physics.chem-ph)CouplingPhysics010304 chemical physicsSpectrometerAstrophysics - Astrophysics of GalaxiesAtomic and Molecular Physics and Optics0104 chemical sciencesFourier transformchemistryCoupling parameterAstrophysics of Galaxies (astro-ph.GA)QuadrupolesymbolsRotational spectroscopyAtomic physicsAstrophysics - Instrumentation and Methods for AstrophysicsAtomic and Molecular Clusters (physics.atm-clus)Journal of Molecular Spectroscopy
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Mirror and triplet displacement energies within nuclear DFT: : numerical stability

2017

Isospin-symmetry-violating class II and III contact terms are introduced into the Skyrme energy density functional to account for charge dependence of the strong nuclear interaction. The two new coupling constants are adjusted to available experimental data on triplet and mirror displacement energies, respectively. We present preliminary results of the fit, focusing on its numerical stability with respect to the basis size.

Nuclear TheorySYMMETRYNuclear TheoryFOS: Physical sciencesGeneral Physics and Astronomy114 Physical sciences01 natural sciencesDisplacement (vector)strong nuclear forceNuclear Theory (nucl-th)0103 physical sciences010306 general physicsdisplacement energiesdensity functional theoryPARAMETRIZATIONCoupling constantPhysicsta114Energy density functionalBasis (linear algebra)010308 nuclear & particles physicstiheysfunktionaaliteoriaCharge (physics)Nuclear interactionnuclear structureAtomic physicsisospin-symmetry breakingNumerical stability
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