Search results for " supramolecular aggregates"

showing 3 items of 3 documents

Structure, stability, and fragmentation of sodium bis(2-ethylhexyl)sulfosuccinate negatively charged aggregates in vacuo by MD simulations.

2014

Negatively charged supramolecular aggregates formed in vacuo by n bis(2-ethylhexyl)sulfosuccinate (AOT(-)) anions and n + n(c) sodium counterions (i.e., [AOT(n) Na(n+nc)](nc)) have been investigated by molecular dynamics (MD) simulations for n = 1 to 20 and n(c) = -1 to -5. By comparing the maximum excess charge values of negatively and positively charged AOTNa aggregates, it is found that the charge storage capability is higher for the latter systems, the difference decreasing as the aggregation number increases. Statistical analysis of physical properties like gyration radii and moment of inertia tensors of aggregates provides detailed information on their structural properties. Even for …

SodiumSupramolecular chemistryMolecular Conformationchemistry.chemical_elementFragmentation patternsMolecular Dynamics SimulationAOTNa Self-assembling Charged reverse micelles Molecular dynamics simulation (MD) Supramolecular aggregates in vacuo Fragmentation patternsMicelleMolecular dynamicsSurface-Active AgentsPulmonary surfactantStructural BiologyAotNa; self-assembling; charged revrse micelle; Molecular Dynamics simulations; Supramolecular aggregates in vacuo; Fragmentation patternsSpectroscopyAlkylMicellesSettore CHIM/02 - Chimica Fisicachemistry.chemical_classificationIonsDioctyl Sulfosuccinic AcidAggregation numberAotNacharged revrse micelleself-assemblingSupramolecular aggregates in vacuoCrystallographychemistryThermodynamicsMolecular Dynamics simulationsCounterionJournal of the American Society for Mass Spectrometry
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Aggregation in aqueous media of tri-block copolymers tuned by the molecular selectivity of cyclodextrins

2009

The water + cyclodextrin + poly(ethylene oxide)-poly(propylene oxide)-poly(ethylene oxide) mixtures have been investigated to explore the temperature effect on the aggregation of the copolymer in the presence of cyclodextrins (CDs). The CDs with different cavity sizes were chosen because they may include either the hydrophilic poly(ethylene oxides) block or both kinds of blocks. The differential scanning calorimetry and viscosity experiments straightforwardly evidenced that the critical micellar temperature is shifted to larger values by adding a CD which is able to include the middle poly(propylene oxide) block while it is not influenced by the presence of CD which is selective to the poly…

chemistry.chemical_classificationMaterials scienceEthyleneEthylene oxideCyclodextrincopolymer cyclodextrins supramolecular aggregates thermodynamicCondensed Matter PhysicsInclusion compoundchemistry.chemical_compoundDifferential scanning calorimetrychemistryPolymer chemistryCopolymerPropylene oxidePhysical and Theoretical ChemistrySelectivitySettore CHIM/02 - Chimica Fisica
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Electrospray ion mobility mass spectrometry of positively charged sodium bis[2-ethythexyl)sulfosuccinate aggregates.

2014

Collision cross-sections (CCS) of positively singly and multiply charged aggregates of the surfactant sodium bis(2-ethylhexyl)sulfosuccinate (AOTNa) in the gas phase have been measured by quadrupole ion mobility time-of-flight mass spectrometry. Calibration of the observed drift times to the CCS of the AOTNa non-covalent aggregates was achieved by collecting, under the same experimental conditions, the drift times of a range of singly and multiply charged polyalanine peptides whose CCS had been obtained by conventional ion mobility spectrometry. Together with an obvious increase of the aggregate cross-section with the aggregation number, it was found that the aggregate cross-section increa…

chemistry.chemical_classificationModels MolecularElectrosprayRange (particle radiation)Dioctyl Sulfosuccinic AcidSpectrometry Mass Electrospray IonizationAggregation numberIon-mobility spectrometrySodiumStatic ElectricityAnalytical chemistrychemistry.chemical_elementIon mobility surfactants AOT collision cross section mass spectrometry supramolecular aggregatesGeneral MedicineMass spectrometryAtomic and Molecular Physics and OpticsIonchemistryModels ChemicalComputer SimulationCounterionSpectroscopyEuropean journal of mass spectrometry (Chichester, England)
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