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dc.contributor.authorMartínez Senra, Tamara
dc.contributor.authorLosada Barreiro, Sonia 
dc.contributor.authorHermida Ramon, Jose Manuel 
dc.contributor.authorGraña Rodriguez, Ana Maria 
dc.contributor.authorBravo Díaz, Carlos Daniel 
dc.date.accessioned2023-03-27T08:33:00Z
dc.date.available2023-03-27T08:33:00Z
dc.date.issued2023-02-14
dc.identifier.citationAntioxidants, 12(2): 484 (2023)spa
dc.identifier.issn20763921
dc.identifier.urihttp://hdl.handle.net/11093/4661
dc.description.abstractThe composition and structure of the interfacial region of emulsions frequently determine its functionality and practical applications. In this work, we have integrated theory and experiments to enable a detailed description of the location and orientation of antioxidants in the interfacial region of olive-oil-in-water nanoemulsions (O/W) loaded with the model gallic acid (GA) antioxidant. For the purpose, we determined the distribution of GA in the intact emulsions by employing the well-developed pseudophase kinetic model, as well as their oxidative stability. We also determined, by employing an in silico design, the radial distribution functions of GA to gain insights on its insertion depth and on its orientation in the interfacial region. Both theoretical and experimental methods provide comparable and complementary results, indicating that most GA is located in the interfacial region (~81.2%) with a small fraction in the aqueous (~18.82%). Thus, GA is an effective antioxidant to inhibit lipid oxidation in emulsions not only because of the energy required for its reaction with peroxyl radical is much lower than that between the peroxyl radical and the unsaturated lipid but also because its effective concentration in the interfacial region is much higher than the stoichiometric concentration. The results demonstrate that the hybrid approach of experiments and simulations constitutes a complementary and useful pathway to design new, tailored, functionalized emulsions to minimize lipid oxidation.en
dc.description.sponsorshipMinisterio de Educación y Formación Profesional | Ref. 21CO1/013526spa
dc.language.isoengspa
dc.publisherAntioxidantsspa
dc.relationinfo:eu-repo/grantAgreement/MEFP//21CO1/013526/ES
dc.rightsAttribution 4.0 International
dc.rights.urihttps://creativecommons.org/licenses/by/4.0/
dc.titleMolecular design of interfaces of model food nanoemulsions: a combined experimental and theoretical approachen
dc.typearticlespa
dc.rights.accessRightsopenAccessspa
dc.identifier.doi10.3390/antiox12020484
dc.identifier.editorhttps://www.mdpi.com/2076-3921/12/2/484spa
dc.publisher.departamentoQuímica Físicaspa
dc.publisher.grupoinvestigacionAgroBioTech for Healthspa
dc.publisher.grupoinvestigacionQuímica Cuánticaspa
dc.subject.unesco2210.08 Emulsionesspa
dc.subject.unesco2210.03 Cinética Químicaspa
dc.subject.unesco2210 Química Físicaspa
dc.date.updated2023-03-27T08:05:47Z
dc.computerCitationpub_title=Antioxidants|volume=12|journal_number=2|start_pag=484|end_pag=spa


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    Attribution 4.0 International
    Except where otherwise noted, this item's license is described as Attribution 4.0 International