New insights about the intercalation of 5-Fluorouracil into 2D Mg–Al layered double hydroxide nanosheets: A theoretical and experimental investigation

Layered double hydroxides (LDH) are interesting 2D inorganic platforms for biomedical purposes. In contrast to previous studies, this work reports the intercalation of 5-Fluorouracil (5-FU) into LDH through anion exchange using a fresh LDH material without the need for any organic compound or treatm...

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Detalles Bibliográficos
Autores: Silva, E.H.C., Cutrim, E.S.M., Iemma, M.R.C., Barud, H.S., Rojas, A., Gómez-Hortigüela Sainz, Luis, Menezes, A.S.D., Rodríguez-Castellón, E., Tanaka, A.A., Alcântara, A.C.S.
Tipo de recurso: artículo
Estado:Versión aceptada para publicación
Fecha de publicación:2023
País:España
Institución:Consejo Superior de Investigaciones Científicas (CSIC)
Repositorio:DIGITAL.CSIC. Repositorio Institucional del CSIC
OAI Identifier:oai:digital.csic.es:10261/358055
Acceso en línea:http://hdl.handle.net/10261/358055
https://www.scopus.com/inward/record.uri?eid=2-s2.0-85148754546&doi=10.1016%2fj.jddst.2023.104294&partnerID=40&md5=6b6824caa96718301745b538e7b15330
Access Level:acceso abierto
Palabra clave:5-Fluorouraci
Layered double hydroxide
Anion exchange reaction
Theoretical studies
Drug delivery system
Descripción
Sumario:Layered double hydroxides (LDH) are interesting 2D inorganic platforms for biomedical purposes. In contrast to previous studies, this work reports the intercalation of 5-Fluorouracil (5-FU) into LDH through anion exchange using a fresh LDH material without the need for any organic compound or treatment prior to the intercalation with 5-FU. The combination of experimental charaterizations and computational studies allowed us to study the intercalation process, where the presence of three phases in the hybrid material are suggested: two of them are related to different charge states of the intercalated 5-FU into 2D LDH interlayer space, and the third one might be related to some kind of distorted LDH. FTIR, XPS and DFT calculations indicated that interactions established in the host-guest system involve a complex network of hydrogen bonds, contributing to the improvement of the chemical and thermal stability of the 5-FU-LDH hybrid. Release assays of 5-FU from the 5-FU-LDH demonstrated the ability to selectively release the drug in simulated tumor microenvironment, while in vitro bioassays suggested a dose-dependent behavior of the hybrid. These results contribute to a better understanding of the chemistry of intercalation of 5-FU into 2D-LDH, and can be used to tune properties of 5-FU-LDH in antitumor therapy. © 2023 Elsevier B.V.