Search results for "Anion"

showing 10 items of 488 documents

Nonlinear response of a batch BZ oscillator to the addition of the anionic surfactant sodium dodecyl sulfate.

2007

The response of the Belousov-Zhabotinsy (BZ) system to the addition of increasing amounts of the anionic surfactant sodium dodecyl sulfate (SDS) was monitored at 25.0 degrees C in stirred batch conditions. The presence of SDS in the reaction mixture influences the oscillatory parameters, i.e., induction period and oscillation period, to an extent that depends on the surfactant concentration. The experimental results have shown that the induction period increases slightly on increasing surfactant concentration and, then, a further increase in the [SDS] leads to an enhancement while the oscillation period increases monotonously on increasing SDS concentration. It has been proposed that the re…

AnionsBinding SitesChemistrySurface PropertiesViscosityInorganic chemistryTemperatureSodium Dodecyl SulfateWaterBromineSurfaces Coatings and Filmschemistry.chemical_compoundSurface-Active AgentsPulmonary surfactantSpectrophotometryOscillometryMaterials ChemistryElectrochemistryPhysical and Theoretical ChemistrySodium dodecyl sulfateElectrodesHydrophobic and Hydrophilic InteractionsMicellesThe journal of physical chemistry. B
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Host Solids Containing Nanoscale Anion-Binding Pockets and Their Use in Selective Sensing Displacement Assays

2005

AnionsBinding SitesMolecular StructureStereochemistryChemistryGeneral MedicineGeneral ChemistryGuanidinesCatalysisModels ChemicalMicroscopy Electron ScanningBiophysicsNanotechnologyColorimetryDisplacement (orthopedic surgery)Anion bindingPorosityNanoscopic scaleAngewandte Chemie International Edition
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A computational study of the lowest singlet and triplet states of neutral and dianionic 1,2-substituted icosahedral and octahedralo-carboranes

2006

This work introduces a calibrated B3LYP/6-31G(d) study on the electronic structure of singlet and triplet neutral species of 1,2-substituted icosahedral 1,2-R(2)-1,2-C(2)B(10)H(10) and octahedral 1,2-R(2)-1,2-C(2)B(4)H(4) molecules with R = {H, OH, SH, NH(2), PH(2), CH(3), SiH(3)} and their respective dianions formed by proton removal on each R group. A variety of small adiabatic singlet-triplet gaps DeltaE(ST) are obtained from these systems ranging from 2.93 eV (R = NH(2)) <or= DeltaE(ST) <or= 3.98 eV (R = SiH(3)) for the icosahedral neutrals and 1.56 eV (R = NH(2)) <or= DeltaE(ST) <or= 4.13 eV (R = SiH(3)) for the octahedral neutrals, these gaps being globally smaller for the dianionic s…

AnionsBoron CompoundsModels MolecularChemical PhenomenaProtonChemistry PhysicalChemistryIcosahedral symmetryMolecular ConformationGeneral ChemistryElectronic structureComputational MathematicsCrystallographyOctahedronComputational chemistryMoleculeComputer SimulationSinglet stateAlgorithmsJournal of Computational Chemistry
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Water Structure Recovery in Chaotropic Anion Recognition: High-Affinity Binding of Dodecaborate Clusters to γ-Cyclodextrin

2015

Dodecaborate anions of the type B12X12(2-) and B12X11Y(2-) (X=H, Cl, Br, I and Y=OH, SH, NH3(+), NR3(+)) form strong (K(a) up to 10(6) L mol(-1), for B12Br12(2-)) inclusion complexes with γ-cyclodextrin (γ-CD). The micromolar affinities reached are the highest known for this native CD. The complexation exhibits highly negative enthalpies (up to -25 kcal mol(-1)) and entropies (TΔS up to -18.4 kcal mol(-1), both for B12I12(2-)), which position these guests at the bottom end of the well-known enthalpy-entropy correlation for CDs. The high driving force can be traced back to a chaotropic effect, according to which chaotropic anions have an intrinsic affinity to hydrophobic cavities in aqueous …

AnionsBoron CompoundsModels MolecularHofmeister seriesInorganic chemistrySupramolecular chemistrysyklodekstriinithost–guest complexes010402 general chemistry01 natural sciencessupramolecular chemistryCatalysissupramolekulaarinen kemiaMoleculeBinding siteta116Binding SitescyclodextrinsAqueous solutionMolecular Structure010405 organic chemistryChemistryDodecaborateWaterBorclusterGeneral MedicineGeneral ChemistryAffinitiesCommunicationsboron clusters0104 chemical sciencesCrystallographyChaotropic agentThermodynamicsgamma-CyclodextrinsHofmeister seriesAngewandte Chemie International Edition
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From attraction to repulsion : anion–π interactions between bromide and fluorinated phenyl groups

2011

Anion–π interactions in crystals of fluorobenzyl ammonium salts depend on the degree of fluorination at the aromatics.

AnionsBromidesBenzylaminesHalogenationInorganic chemistryMolecular ConformationChemieElectronsCrystallography X-RayCatalysisPiperazinesDegree (temperature)Ionchemistry.chemical_compoundBromidePolymer chemistryMaterials ChemistryAmmoniumMetals and AlloysHydrogen BondingGeneral ChemistryAttractionSurfaces Coatings and FilmsElectronic Optical and Magnetic MaterialsFluorobenzenesQuaternary Ammonium CompoundschemistryCeramics and Composites
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"Identification of mixed bromidochloridotellurate anions in disordered crystal structures of (bdmim)2[TeX2Y4] (X, Y = Br, Cl; bdmim = 1-butyl-2,3-dim…

2013

Abstract The discrete mixed [TeBrxCl6−x]2− anions in their disordered crystal structures have been identified by using the phases prepared by the reaction of 1-butyl-2,3-dimethylimidazolium halogenides (bdmim)X with tellurium tetrahalogenides TeX4 (X = Cl, Br) as examples. Homoleptic (bdmim)2[TeX6] [X = Cl (1), Br (2)] and mixed (bdmim)2[TeBr2Cl4] (3), and (bdmim)2[TeBr4Cl2] (4) are formed depending on the choice of the reagents, and their crystal structures have been determined by single-crystal X-ray diffraction. The coordination environments of tellurium in all hexahalogenidotellurates are almost octahedral. Because of the crystallographic disorder, the mixed [TeBr2Cl4]2− and [TeBr4Cl2]2…

AnionsBromidesModels MolecularMagnetic Resonance SpectroscopyAb initiochemistry.chemical_elementCrystal structureCrystallography X-RaySpectrum Analysis RamanAnalytical Chemistrysymbols.namesakechemistry.chemical_compoundChloridesX-Ray DiffractionHomolepticInstrumentationta116SpectroscopyMolecular StructureChemistryImidazolesAtomic and Molecular Physics and OpticsCrystallographyOctahedronsymbolsTellurium tetrachlorideQuantum TheoryTelluriumRaman spectroscopyTelluriumPowder diffractionSpectrochimica Acta Part A: Molecular and Biomolecular Spectroscopy
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Cooperativity of H-bonding and anion–π interaction in the binding of anions with neutral π-acceptors

2012

A rare anion-π complex between bromide and a neutral receptor is reported and related receptor systems are studied with a series of anions. The interaction is observed in the solid state and in solution, and further evidence for it is obtained by a computational study.

AnionsBromidesModels MolecularMagnetic Resonance SpectroscopyChemistryHydrogen bondInorganic chemistryChemieMolecular ConformationMetals and AlloysSolid-stateHydrogen BondingCooperativityGeneral ChemistryCatalysisSurfaces Coatings and FilmsElectronic Optical and Magnetic MaterialsIonCrystallographychemistry.chemical_compoundBromideBenzamidesMaterials ChemistryCeramics and Compositesta116Chemical Communications
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Activation of the alternative pathway of complement: efficient fluid-phase amplification by blockade of the regulatory complement protein β1H through…

1981

Current concepts of activation of the alternative pathway of complement (APC) focus on the central role of an amplification mechanism triggered by C3b which is covalently bound to the surfact of activating substances. Using sulfated polyanions as model substances, an efficient fluid-phase activation of complement is demonstrated in contrast to solid-phase activation. It is shown that particulate high-molecular weight sulfated polyanions are capable of reversible binding the guinea pig and human regulatory protein beta1H. This fixation leads to an extensive activation of C3 and factor B because the regulatory function of beta1H is blocked in the fluid-phase C3b-dependent amplification system…

AnionsChemical PhenomenaComplement Pathway AlternativeGuinea PigsImmunologyBiologyComplement factor BAbsorptionGuinea pigSulfationComplement C3b Inactivator ProteinsAnimalsHumansImmunology and AllergyComplement ActivationRegulation of gene expressionChemistry PhysicalSulfatesGoatsImmune SeraComplement C3Complement systemCell biologyKineticsBiochemistryCovalent bondComplement Factor HComplement C3bAlternative complement pathwayFunction (biology)European Journal of Immunology
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Self-assembly of 3,5-bis(ethoxycarbonyl)pyrazolate anions and ammonium cations of β-phenylethylamine or homoveratrylamine into hetero-double-stranded…

2009

Hydrogen-bonded double-stranded hetero-helices are formed when reacting sodium 3,5-bis(ethoxycarbonyl)pyrazolate with beta-phenethylammonium or homoveratrylammonium chloride, in which one of the strands is defined by the ammonium cations and the other one by the pyrazolate anions.

AnionsCircular DichroismSodiumOrganic Chemistrychemistry.chemical_elementHydrogen BondingCrystallography X-RayBiochemistryChlorideProtein Structure SecondaryQuaternary Ammonium Compoundschemistry.chemical_compoundchemistryPhenethylaminesPolymer chemistrymedicineOrganic chemistryAmmoniumSelf-assemblyBeta-PhenylethylaminePhysical and Theoretical ChemistryDouble strandedmedicine.drugOrganic &amp; Biomolecular Chemistry
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Liquid structure of a water-in-salt electrolyte with a remarkably asymmetric anion

2021

Water-in-salt systems, i.e., super-concentrated aqueous electrolytes, such as lithium bis(trifluoromethanesulfonyl)imide (21 mol/kgwater), have been recently discovered to exhibit unexpectedly large electrochemical windows and high lithium transference numbers, thus paving the way to safe and sustainable charge storage devices. The peculiar transport features in these electrolytes are influenced by their intrinsically nanoseparated morphology, stemming from the anion hydrophobic nature and manifesting as nanosegregation between anions and water domains. The underlying mechanism behind this structure-dynamics correlation is, however, still a matter of strong debate. Here, we enhance the apol…

AnionsDYNAMICSLI+MOLECULAR-FORCE FIELDLOCAL-STRUCTUREWaterLithiumMolecular Dynamics Simulationmolecular-force field; particle meshewald; local-structure; ionic liquids; dynamics; viscosity; conductivity dependence; LI+PARTICLE MESH EWALElectrolytesIONIC LIQUIDSDEPENDENCECONDUCTIVITYVISCOSITY
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