RT Journal Article
T1 Molecular design of interfaces of model food nanoemulsions: a combined experimental and theoretical approach
A1 Martínez Senra, Tamara
A1 Losada Barreiro, Sonia
A1 Hermida Ramon, Jose Manuel
A1 Graña Rodriguez, Ana Maria
A1 Bravo Díaz, Carlos Daniel
K1 2210.08 Emulsiones
K1 2210.03 Cinética Química
K1 2210 Química Física
AB The 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.
PB Antioxidants
SN 20763921
YR 2023
FD 2023-02-14
LK http://hdl.handle.net/11093/4661
UL http://hdl.handle.net/11093/4661
LA eng
NO Antioxidants, 12(2): 484 (2023)
NO Ministerio de Educación y Formación Profesional | Ref. 21CO1/013526
DS Investigo
RD 06-dic-2023