Unraveling the Intrinsic Biocidal Activity of the SiO2-Ag Composite against SARS-CoV-2: A Joint Experimental and Theoretical Study

Autor(es)

de Oliveira, Marisa Carvalho ; Assis, Marcelo ; Simoes, Luiz Gustavo Pagotto ; Minozzi, Daniel Tamassia ; Ribeiro, Renan A. . P. ; Andres, Juan ; Longo, Elson

• Tipo de documento: Artigo Científico
• Fonte: ACS APPLIED MATERIALS & INTERFACES; v. N/A, p. 13-pg., 2023-01-25.

Resumo

The COVID-19 pandemic has emerged as an unprecedented global healthcare emergency, demanding the urgent development of effective materials to inactivate the SARS-CoV-2 virus. This research was planned to disclose the remarkable biocidal activity of SiO2-Ag composites incorporated into low-density polyethylene. For this purpose, a joint experimental and theoretical [based on first-principles calculations at the density functional theory (DFT) level] study is performed. Biological assays showed that this material eliminatesStaphylococcus aureusand SARS-CoV-2 virus in just 2 min. Here, we investigate a previously unexplored process that we postulate may occur along the O-2 and H2O adsorption and activation processes of pure and defective SiO2-Ag surfaces for the generation of reactive oxygen species (ROS). The obtained results help us to predict the nature of ROS: superoxide anion radicals, O-center dot(2)-, hydroxyl radicals, (OH)-O-center dot, and hydroperoxyl radicals, (HO2)-H-center dot, that destroy and degrade the structure of the SARSCOV-2 virus. This is consistent with the DFT studies, where the energetic, electronic, and magnetic properties of the intermediates show a feasible formation of ROS. Present findings are expected to provide new insights into the relationship among the structure, property, and biocidal activity of semiconductor/metal SiO2-Ag composites. (AU)

• Processo FAPESP: 13/07296-2 - CDMF - Centro de Desenvolvimento de Materiais Funcionais
• Beneficiário: Elson Longo da Silva
• Modalidade de apoio: Auxílio à Pesquisa - Centros de Pesquisa, Inovação e Difusão - CEPIDs
• Processo FAPESP: 21/01651-1 - CDMF - Centro de Desenvolvimento de Materiais Funcionais: estudo teórico de materiais multifuncionais com potencial aplicação antiviral
• Beneficiário: Marisa Carvalho de Oliveira
• Modalidade de apoio: Bolsas no Brasil - Pós-Doutorado