RECERCAT Principal
>
Universitat Autònoma de Barcelona
>
Articles escrits per personal UAB o publicats per la universitat
>
Visualizar documento
| Título: | Computer simulations of lipid nanoparticles |
|---|---|
| Autor/a: | Fernández-Luengo Flores, Xavier; Camacho Castro, Juan; Faraudo, Jordi |
| Abstract: | Lipid nanoparticles (LNP) are promising soft matter nanomaterials for drug delivery applications. In spite of their interest, little is known about the supramolecular organization of the components of these self-assembled nanoparticles. Here, we present a molecular dynamics simulation study, employing the Martini coarse-grain forcefield, of self-assembled LNPs made by tripalmitin lipid in water. We also study the adsorption of Tween 20 surfactant as a protective layer on top of the LNP. We show that, at 310 K (the temperature of interest in biological applications), the structure of the lipid nanoparticles is similar to that of a liquid droplet, in which the lipids show no nanostructuration and have high mobility. We show that, for large enough nanoparticles, the hydrophilic headgroups develop an interior surface in the NP core that stores liquid water. The surfactant is shown to organize in an inhomogeneous way at the LNP surface, with patches with high surfactant concentrations and surface patches not covered by surfactant. |
| Materia(s): | -Lipid nanoparticles -Martini force field -Molecular dynamics -Self-assembly -Softmatter |
| Derechos: | open access
Aquest document està subjecte a una llicència d'ús Creative Commons. Es permet la reproducció total o parcial, la distribució, la comunicació pública de l'obra i la creació d'obres derivades, fins i tot amb finalitats comercials, sempre i quan es reconegui l'autoria de l'obra original. https://creativecommons.org/licenses/by/4.0/ |
| Tipo de documento: | Article |
| Editor: | |
| Compartir: |
|
| Uri: | https://ddd.uab.cat/record/196599 |
Documentos relacionados
Otros documentos del mismo autor/a
Andreu Segura, Jordi; Camacho Castro, Juan; Faraudo, Jordi; Benelmekki, Maria.; Rebollo, C.; Martínez, Ll. M.
Andreu, Jordi; Calero Borrallo, Carlos; Camacho Castro, Juan; Faraudo, Jordi
Gumí Audenis, Berta; Illa Tuset, Silvia; Grimaldi, Natascia; Pasquina Lemonche, Laia; Ferrer Tasies, Lídia; Sanz Carrasco, Fausto; Veciana, Jaume; Ratera, Imma; Faraudo, Jordi; Ventosa, Nora; Giannotti, Marina Ines
Guardingo, Mireia; Bellido, Elena; Miralles Lluma, Rosa; Faraudo, Jordi; Sedó, Josep; Tatay, Sergio; Verdaguer Prats, Albert; Busqué, Felix; Ruiz-Molina, Daniel
Gumí Audenis, Berta; Illa Tuset, Silvia; Grimaldi, Natascia; Pasquina Lemonche, Laia; Ferrer Tasies, Lídia; Sanz Carrasco, Fausto; Veciana, Jaume; Ratera, Imma; Faraudo, Jordi; Ventosa, Nora; Giannotti, Marina Ines