| Full text | |
| Author(s): |
de Oliveira, Marisa Carvalho
;
Assis, Marcelo
;
Simoes, Luiz Gustavo Pagotto
;
Minozzi, Daniel Tamassia
;
Ribeiro, Renan A. . P.
;
Andres, Juan
;
Longo, Elson
Total Authors: 7
|
| Document type: | Journal article |
| Source: | ACS APPLIED MATERIALS & INTERFACES; v. N/A, p. 13-pg., 2023-01-25. |
| Abstract | |
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) | |
| FAPESP's process: | 13/07296-2 - CDMF - Center for the Development of Functional Materials |
| Grantee: | Elson Longo da Silva |
| Support Opportunities: | Research Grants - Research, Innovation and Dissemination Centers - RIDC |
| FAPESP's process: | 21/01651-1 - CDMF - Functional Materials Development Center: theoretical study of multifunctional materials with potential antiviral application |
| Grantee: | Marisa Carvalho de Oliveira |
| Support Opportunities: | Scholarships in Brazil - Post-Doctoral |