Effect of lithium on the properties of a liquid crystal formed by sodium dodecylsulphate and decanol in aqueous solution

Simple item page
dc.contributor.authorBahamonde Padilla, V. E.
dc.contributor.authorEspinoza, Javier
dc.contributor.authorWeiss Lopez, B. E.
dc.contributor.authorLopez Cascales, J. J.
dc.contributor.authorMontecinos, R.
dc.contributor.authorAraya Maturana, R.
dc.date.accessioned2024-01-10T12:38:31Z
dc.date.available2024-01-10T12:38:31Z
dc.date.issued2013
dc.description.abstractUnderstanding the molecular interactions that rule the physicochemical properties of molecular assemblies is of particular interest when trying to explain the behavior of much more complicated systems, such as the cell membranes. This work was devoted to study a discotic nematic lyotropic liquid crystal, formed by sodium dodecylsulphate (3% SDS-d(25)) and decanol (20% DeOH-alpha-d(2)), dissolved in aqueous solutions (0.1% D2O) of Na2SO4 or Li2SO4. The average size of the aggregates was estimated using fluorescence quenching experiments, and their dynamics were studied by measuring the H-2-NMR quadrupole splitting (Delta nu(Q)) and the longitudinal relaxation times (T-1) of the deuterated species. To provide an atomic insight into these assemblies, molecular dynamics simulations of the systems were carried out with atomic detail. As a previous step in this study, a reparameterization of the standard GROMOS 87 force field was required to perform the equilibrated simulations and to prevent instabilities emerging during the simulations. Finally, an excellent agreement between simulation and experimental data was obtained. In addition, variations in the long range electrostatic interactions at the aggregate/solution interface, the orientation and the re-orientational relaxation time of the water dipole, the translational diffusion coefficient of sodium ions, and the amphiphile-counterion coordination associated with the presence of Li+ in the solution were other key aspects investigated to explain the variation in the quadrupole splittings (Delta nu(Q)) in the presence of lithium in solution. (C) 2013 AIP Publishing LLC.
dc.description.funderFondecyt-Chile
dc.description.funderConicyt
dc.description.funderUniversity of Chile
dc.description.funderPolytechnic University of Cartagena (UPCT)
dc.fechaingreso.objetodigital2024-05-06
dc.format.extent9 páginas
dc.fuente.origenWOS
dc.identifier.doi10.1063/1.4811678
dc.identifier.issn0021-9606
dc.identifier.pubmedidMEDLINE:23822316
dc.identifier.urihttps://doi.org/10.1063/1.4811678
dc.identifier.urihttps://repositorio.uc.cl/handle/11534/77058
dc.identifier.wosidWOS:000321716400032
dc.information.autorucQuímica;Montecinos R;S/I;1008526
dc.issue.numero1
dc.language.isoen
dc.nota.accesocontenido parcial
dc.publisherAMER INST PHYSICS
dc.revistaJOURNAL OF CHEMICAL PHYSICS
dc.rightsacceso restringido
dc.subjectMOLECULAR-DYNAMICS SIMULATION
dc.subjectPARTICLE MESH EWALD
dc.subjectAGGREGATION NUMBER
dc.subjectMEMBRANE
dc.subjectMICELLE
dc.subjectWATER
dc.subjectPHASE
dc.subjectCOUNTERION
dc.subjectSYSTEMS
dc.subjectSTATE
dc.subject.ods03 Good Health and Well-being
dc.subject.odspa03 Salud y bienestar
dc.titleEffect of lithium on the properties of a liquid crystal formed by sodium dodecylsulphate and decanol in aqueous solution
dc.typeartículo
dc.volumen139
sipa.codpersvinculados1008526
sipa.indexWOS
sipa.indexScopus
sipa.trazabilidadCarga SIPA;09-01-2024
Files
Original bundle
Now showing 1 - 1 of 1
Thumbnail Image
Name:
2024-05-06. Effect of lithium on the properties of a liquid crystal formed by sodium dodecylsulphate and decanol in aqueous solution.pdf
Size:
3.13 KB
Format:
Adobe Portable Document Format
Description:
Download
Collections
Artículos de revistas