Parent anion radical formation in coenzyme Q0

Detalhes bibliográficos
Autor(a) principal: Ameixa, J.
Data de Publicação: 2023
Outros Autores: Arthur-Baidoo, E., Pereira-da-Silva, J., Ončák, M., Ruivo, J. C., Varella, M. T.do N., Ferreira da Silva, F., Denifl, S.
Tipo de documento: Artigo
Idioma: eng
Título da fonte: Repositório Científico de Acesso Aberto de Portugal (Repositórios Cientìficos)
Texto Completo: http://hdl.handle.net/10362/151296
Resumo: Funding Information: S.D. acknowledges support by the FWF, Vienna (P30332). JA, JPS and FFS acknowledge the Portuguese National Funding Agency FCT-MCTES through the research grant UID/FIS/00068/2020 (CEFITEC). M.T.N.V. acknowledges support from National Council for Scientific and Technological Development ( CNPq , grant no. 304571/2018-0 ) and São Paulo Research Foundation ( FAPESP , grant no. 2020/16155-7 ). The calculations used HPC resources from STI (University of São Paulo) and the HPC infrastructure LEO of the University of Innsbruck. Publisher Copyright: © 2022 The Authors
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spelling Parent anion radical formation in coenzyme Q0Breaking ubiquinone family rulesDipole-bound anion radicalElectron attachmentElectron transferPara-benzoquinoneResonanceUbiquinoneBiotechnologyBiophysicsStructural BiologyBiochemistryGeneticsComputer Science ApplicationsFunding Information: S.D. acknowledges support by the FWF, Vienna (P30332). JA, JPS and FFS acknowledge the Portuguese National Funding Agency FCT-MCTES through the research grant UID/FIS/00068/2020 (CEFITEC). M.T.N.V. acknowledges support from National Council for Scientific and Technological Development ( CNPq , grant no. 304571/2018-0 ) and São Paulo Research Foundation ( FAPESP , grant no. 2020/16155-7 ). The calculations used HPC resources from STI (University of São Paulo) and the HPC infrastructure LEO of the University of Innsbruck. Publisher Copyright: © 2022 The AuthorsWe report electron attachment (EA) measurements for the parent anion radical formation from coenzyme Q0 (CoQ0) at low electron energies (<2 eV) along with quantum chemical calculations. CoQ0 may be considered a prototype for the electron withdrawing properties of the larger CoQn molecules, in particular ubiquinone (CoQ10), an electron carrier in aerobic cell respiration. Herein, we show that the mechanisms for the parent anion radical formation of CoQ0 and CoQn (n = 1,2,4) are remarkably distinct. Reported EA data for CoQ1, CoQ2, CoQ4 and para-benzoquinone indicated stabilization of the parent anion radicals around 1.2–1.4 eV. In contrast, we observe for the yield of the parent anion radical of CoQ0 a sharp peak at ∼ 0 eV, a shoulder at 0.07 eV and a peak around 0.49 eV. Although the mechanisms for the latter feature remain unclear, our calculations suggest that a dipole bound state (DBS) would account for the lower energy signals. Additionally, the isoprenoid side chains in CoQn (n = 1,2,4) molecules seem to influence the DBS formation for these compounds. In contrast, the side chains enhance the parent anion radical stabilization around 1.4 eV. The absence of parent anion radical formation around 1.4 eV for CoQ0 can be attributed to the short auto-ionization lifetimes. The present results shed light on the underappreciated role played by the side chains in the stabilization of the parent anion radical. The isoprenoid tails should be viewed as co-responsible for the electron-accepting properties of ubiquinone, not mere spectators of electron transfer reactions.CeFITec – Centro de Física e Investigação TecnológicaDF – Departamento de FísicaRUNAmeixa, J.Arthur-Baidoo, E.Pereira-da-Silva, J.Ončák, M.Ruivo, J. C.Varella, M. T.do N.Ferreira da Silva, F.Denifl, S.2023-03-27T22:15:17Z2023-012023-01-01T00:00:00Zinfo:eu-repo/semantics/publishedVersioninfo:eu-repo/semantics/article8application/pdfhttp://hdl.handle.net/10362/151296engAmeixa, J., Arthur-Baidoo, E., Pereira-da-Silva, J., Ončák, M., Ruivo, J. C., Varella, M. T. D. N., Ferreira da Silva, F., & Denifl, S. (2023). Parent anion radical formation in coenzyme Q0: Breaking ubiquinone family rules. Computational and Structural Biotechnology Journal, 21, 346-353. https://doi.org/10.1016/j.csbj.2022.12.0112001-0370PURE: 57076049https://doi.org/10.1016/j.csbj.2022.12.011info:eu-repo/semantics/openAccessreponame:Repositório Científico de Acesso Aberto de Portugal (Repositórios Cientìficos)instname:Agência para a Sociedade do Conhecimento (UMIC) - FCT - Sociedade da Informaçãoinstacron:RCAAP2024-03-11T05:33:42Zoai:run.unl.pt:10362/151296Portal AgregadorONGhttps://www.rcaap.pt/oai/openaireopendoar:71602024-03-20T03:54:31.281727Repositório Científico de Acesso Aberto de Portugal (Repositórios Cientìficos) - Agência para a Sociedade do Conhecimento (UMIC) - FCT - Sociedade da Informaçãofalse
dc.title.none.fl_str_mv Parent anion radical formation in coenzyme Q0
Breaking ubiquinone family rules
title Parent anion radical formation in coenzyme Q0
spellingShingle Parent anion radical formation in coenzyme Q0
Ameixa, J.
Dipole-bound anion radical
Electron attachment
Electron transfer
Para-benzoquinone
Resonance
Ubiquinone
Biotechnology
Biophysics
Structural Biology
Biochemistry
Genetics
Computer Science Applications
title_short Parent anion radical formation in coenzyme Q0
title_full Parent anion radical formation in coenzyme Q0
title_fullStr Parent anion radical formation in coenzyme Q0
title_full_unstemmed Parent anion radical formation in coenzyme Q0
title_sort Parent anion radical formation in coenzyme Q0
author Ameixa, J.
author_facet Ameixa, J.
Arthur-Baidoo, E.
Pereira-da-Silva, J.
Ončák, M.
Ruivo, J. C.
Varella, M. T.do N.
Ferreira da Silva, F.
Denifl, S.
author_role author
author2 Arthur-Baidoo, E.
Pereira-da-Silva, J.
Ončák, M.
Ruivo, J. C.
Varella, M. T.do N.
Ferreira da Silva, F.
Denifl, S.
author2_role author
author
author
author
author
author
author
dc.contributor.none.fl_str_mv CeFITec – Centro de Física e Investigação Tecnológica
DF – Departamento de Física
RUN
dc.contributor.author.fl_str_mv Ameixa, J.
Arthur-Baidoo, E.
Pereira-da-Silva, J.
Ončák, M.
Ruivo, J. C.
Varella, M. T.do N.
Ferreira da Silva, F.
Denifl, S.
dc.subject.por.fl_str_mv Dipole-bound anion radical
Electron attachment
Electron transfer
Para-benzoquinone
Resonance
Ubiquinone
Biotechnology
Biophysics
Structural Biology
Biochemistry
Genetics
Computer Science Applications
topic Dipole-bound anion radical
Electron attachment
Electron transfer
Para-benzoquinone
Resonance
Ubiquinone
Biotechnology
Biophysics
Structural Biology
Biochemistry
Genetics
Computer Science Applications
description Funding Information: S.D. acknowledges support by the FWF, Vienna (P30332). JA, JPS and FFS acknowledge the Portuguese National Funding Agency FCT-MCTES through the research grant UID/FIS/00068/2020 (CEFITEC). M.T.N.V. acknowledges support from National Council for Scientific and Technological Development ( CNPq , grant no. 304571/2018-0 ) and São Paulo Research Foundation ( FAPESP , grant no. 2020/16155-7 ). The calculations used HPC resources from STI (University of São Paulo) and the HPC infrastructure LEO of the University of Innsbruck. Publisher Copyright: © 2022 The Authors
publishDate 2023
dc.date.none.fl_str_mv 2023-03-27T22:15:17Z
2023-01
2023-01-01T00:00:00Z
dc.type.status.fl_str_mv info:eu-repo/semantics/publishedVersion
dc.type.driver.fl_str_mv info:eu-repo/semantics/article
format article
status_str publishedVersion
dc.identifier.uri.fl_str_mv http://hdl.handle.net/10362/151296
url http://hdl.handle.net/10362/151296
dc.language.iso.fl_str_mv eng
language eng
dc.relation.none.fl_str_mv Ameixa, J., Arthur-Baidoo, E., Pereira-da-Silva, J., Ončák, M., Ruivo, J. C., Varella, M. T. D. N., Ferreira da Silva, F., & Denifl, S. (2023). Parent anion radical formation in coenzyme Q0: Breaking ubiquinone family rules. Computational and Structural Biotechnology Journal, 21, 346-353. https://doi.org/10.1016/j.csbj.2022.12.011
2001-0370
PURE: 57076049
https://doi.org/10.1016/j.csbj.2022.12.011
dc.rights.driver.fl_str_mv info:eu-repo/semantics/openAccess
eu_rights_str_mv openAccess
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dc.source.none.fl_str_mv reponame:Repositório Científico de Acesso Aberto de Portugal (Repositórios Cientìficos)
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repository.name.fl_str_mv Repositório Científico de Acesso Aberto de Portugal (Repositórios Cientìficos) - Agência para a Sociedade do Conhecimento (UMIC) - FCT - Sociedade da Informação
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