| Campo DC | Valor | Idioma |
|---|
| dc.contributor.author | Bueno, Fernando Teixeira | - |
| dc.contributor.author | Sousa, Leonardo Evaristo de | - |
| dc.contributor.author | Paterno, Leonardo Giordano | - |
| dc.contributor.author | Baggio, Alan Rocha | - |
| dc.contributor.author | Silva Filho, Demétrio Antônio da | - |
| dc.contributor.author | Oliveira Neto, Pedro Henrique de | - |
| dc.date.accessioned | 2024-09-26T12:55:14Z | - |
| dc.date.available | 2024-09-26T12:55:14Z | - |
| dc.date.issued | 2023-09-15 | - |
| dc.identifier.citation | BUENO, Fernando Teixeira et al. Modelling the quenching effect of chloroaluminum phthalocyanine and graphene oxide interactions: implications for phototherapeut applications. Nanoscale Advances, [S. l.], n. 22, 2023. DOI: https://doi.org/10.1039/D3NA00432E. Disponível em: https://pubs.rsc.org/en/content/articlelanding/2023/na/d3na00432e. Acesso em: 26 set. 2024. | pt_BR |
| dc.identifier.uri | http://repositorio.unb.br/handle/10482/50458 | - |
| dc.language.iso | eng | pt_BR |
| dc.publisher | Royal Society of Chemistry | pt_BR |
| dc.rights | Acesso Aberto | pt_BR |
| dc.title | Modelling the quenching effect of chloroaluminum phthalocyanine and graphene oxide interactions : implications for phototherapeutic applications | pt_BR |
| dc.type | Artigo | pt_BR |
| dc.rights.license | (CC BY-NC) This article is licensed under aCreative Commons Attribution-NonCommercial 3.0 Unported Licence. | pt_BR |
| dc.identifier.doi | https://doi.org/10.1039/D3NA00432E | pt_BR |
| dc.description.abstract1 | Photodynamic therapy (PDT) and photothermal therapy (PTT) are promising candidates for cancer
treatment and their efficiency can be further enhanced by using a combination of both. While
chloroaluminum phthalocyanine (AlClPc) has been studied extensively as a photosensitizer in PDT,
nanographene oxide (nGO) has shown promise in PTT due to its high absorption of near-infrared
radiation. In this work, we investigate the energy transport between AlClPc and nGO for their combined
use in phototherapies. We use density functional theory (DFT) and time-dependent DFT to analyze the
electronic structure of AlClPc and its interaction with nGO. Based on experimental parameters, we
model the system's morphology and implement it in Kinetic Monte Carlo (KMC) simulations to
investigate the energy transfer mechanism between the compounds. Our KMC calculations show that
the experimentally observed fluorescence quenching requires modeling both the energy transfer from
dyes to nGO and a molecular aggregation model. Our results provide insights into the underlying
mechanisms responsible for the fluorescence quenching observed in AlClPc/nGO aggregates, which
could impact the efficacy of photodynamic therapy. | pt_BR |
| dc.identifier.orcid | https://orcid.org/0000-0002-5880-5325 | pt_BR |
| dc.identifier.orcid | https://orcid.org/0000-0002-7103-4780 | pt_BR |
| dc.identifier.orcid | https://orcid.org/0000-0002-8336-7718 | pt_BR |
| dc.contributor.affiliation | University of Brasília, Institute of Physics | pt_BR |
| dc.contributor.affiliation | Technical University of Denmark, Department of Energy Conversion and Storage | pt_BR |
| dc.contributor.affiliation | University of Brasília, Institute of Chemistry, Laboratory of Research on Polymers and Nanomaterials | pt_BR |
| dc.contributor.affiliation | University of Brasília, Institute of Chemistry, Laboratory of Research on Polymers and Nanomaterials | pt_BR |
| dc.contributor.affiliation | University of Brasília, Institute of Physics | pt_BR |
| dc.contributor.affiliation | University of Brasília, Institute of Physics | pt_BR |
| dc.description.unidade | Instituto de Física (IF) | pt_BR |
| dc.description.unidade | Instituto de Química (IQ) | pt_BR |
| Aparece nas coleções: | Artigos publicados em periódicos e afins
|
