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dc.contributor.author
Legnoverde, María Soledad
dc.contributor.author
Simonetti, Sandra Isabel
dc.contributor.author
Basaldella, Elena I.
dc.date.available
2016-09-08T15:39:11Z
dc.date.issued
2014-02
dc.identifier.citation
Legnoverde, María Soledad; Simonetti, Sandra Isabel; Basaldella, Elena I.; Influence of pH on cephalexin adsorption onto SBA-15 mesoporous silica: Theoretical and experimental study; Elsevier Science; Applied Surface Science; 300; 2-2014; 37-42
dc.identifier.issn
0169-4332
dc.identifier.uri
http://hdl.handle.net/11336/7559
dc.description.abstract
tCephalexin adsorption from aqueous solutions using SBA-15 mesoporous silica as adsorbent and theinfluence of pH solution on drug adsorption were studied. In order to have a better knowledge aboutthe way the drug molecules interact with the inorganic matrix, the adsorption process was estimatedby applying the computational chemistry software YAeHMOP (Yet Another extended Hückel Molec-ular Orbital Package). A strong correlation between the theoretical calculations and the experimentalresults was established, showing that the adsorbate?adsorbent interaction is pH dependent. Calculatedcephalexin horizontal adsorption energy was almost 9 eV more stable than the one corresponding tovertical adsorption, and also the lowest enthalpy of contact and the maximum adsorption percent werefound for the cationic cephalexin?silica system. Cephalexin adsorption through the NH3+group is 8 eVstronger than the molecule adsorption through the COO−group. In agreement with these theoreticalpredictions, experimental results indicate that the electrostatic attraction between CPX ions and the sur-face of mesoporous silica is favored at pH values between 2 and 2.56, the maximum being for cephalexinadsorption obtained at pH 2.3.
dc.format
application/pdf
dc.language.iso
eng
dc.publisher
Elsevier Science
dc.rights
info:eu-repo/semantics/restrictedAccess
dc.rights.uri
https://creativecommons.org/licenses/by-nc-nd/2.5/ar/
dc.subject
Mesoporous Materials
dc.subject
Adsorption
dc.subject
Computer Modeling And Simulation
dc.subject.classification
Ingeniería de los Materiales
dc.subject.classification
Ingeniería de los Materiales
dc.subject.classification
INGENIERÍAS Y TECNOLOGÍAS
dc.title
Influence of pH on cephalexin adsorption onto SBA-15 mesoporous silica: Theoretical and experimental study
dc.type
info:eu-repo/semantics/article
dc.type
info:ar-repo/semantics/artículo
dc.type
info:eu-repo/semantics/publishedVersion
dc.date.updated
2016-04-28T17:10:36Z
dc.journal.volume
300
dc.journal.pagination
37-42
dc.journal.pais
Países Bajos
dc.journal.ciudad
Amsterdam
dc.description.fil
Fil: Legnoverde, María Soledad. Consejo Nacional de Investigaciones Científicas y Técnicas. Centro Científico Tecnológico la Plata. Centro de Investigación y Desarrollo En Ciencias Aplicadas; Argentina. Universidad Tecnologica Nacional. Facultad Regional La Plata. Centro de Investigacion y Desarrollo en Ciencia y Tecnologia de Materiales; Argentina
dc.description.fil
Fil: Simonetti, Sandra Isabel. Consejo Nacional de Investigaciones Científicas y Técnicas. Centro Científico Tecnológico Bahía Blanca. Instituto de Física del Sur; Argentina. Universidad Tecnologica Nacional. Facultad Reg.la Plata. Departamento de Ingenieria Mecanica; Argentina
dc.description.fil
Fil: Basaldella, Elena I.. Consejo Nacional de Investigaciones Científicas y Técnicas. Centro Científico Tecnológico la Plata. Centro de Investigación y Desarrollo En Ciencias Aplicadas; Argentina. Universidad Tecnologica Nacional. Facultad Regional La Plata. Centro de Investigacion y Desarrollo en Ciencia y Tecnologia de Materiales; Argentina
dc.journal.title
Applied Surface Science
dc.relation.alternativeid
info:eu-repo/semantics/altIdentifier/url/http://www.sciencedirect.com/science/article/pii/S0169433214002645
dc.relation.alternativeid
info:eu-repo/semantics/altIdentifier/doi/http://dx.doi.org/10.1016/j.apsusc.2014.01.198


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