Rationalizing the activity of a hybrid biocatalyst for ethanol oxidation

Autor(es)

de Castro, Alexandre A. ; Franco, Jefferson Honorio ; de Andrade, Adalgisa R. ; Ramalho, Teodorico C.

• Tipo de documento: Artigo Científico
• Fonte: Journal of Molecular Structure; v. 1268, p. 7-pg., 2022-07-14.

Resumo

This work highlights the importance of developing technologies for full ethanol oxidation, to obtain high energy production rates. We have carried out experimental and theoretical investigations to unveil the action modes of the enzymes ADH and AldDH toward ethanol, as well as the influence of the organic catalyst TEMPO on the process. Ethanol interacted better with the complex ADH/TEMPO. The energy gap (HOMO - LUMO) for the enzymes complexed with TEMPO was lower. Ethanol showed more stabilizing interaction energies when it was docked in the active site of the enzymes complexed with TEMPO, which indicated the relevance of this organic catalyst. AldDH alone did not oxidize ethanol, but this changed when this enzyme was inserted into a biofuel cell (BFC) system containing TEMPO-the electron flow seemed to be optimized in the presence of this catalyst. On the basis of our experimental results, the specific activity of ethanol oxidation through ADH was much higher as compared to acetaldehyde oxida-tion through AldDH. This study opens new possibilities for applying this multifunctional hybrid system for optimal energy harvesting from biofuels. (c) 2022 Elsevier B.V. All rights reserved. (AU)

• Processo FAPESP: 21/01134-7 - Valorização eletroquímica da molécula de glicerol: desenvolvimento de uma célula eletrolítica microbiana (MEC) para produção de bio-hidrogênio (Bio-H2) e produtos de alto valor agregado em uma célula do tipo PEM
• Beneficiário: Adalgisa Rodrigues de Andrade
• Modalidade de apoio: Auxílio à Pesquisa - Programa BIOEN - Regular
• Processo FAPESP: 17/20431-7 - Desenvolvimento de uma cascata enzimática híbrida para a produção de biocélula etanol/O2 eficiente
• Beneficiário: Jefferson Honorio Franco
• Modalidade de apoio: Bolsas no Brasil - Pós-Doutorado