Determination of phenolic compounds and antioxidant potential of aqueous extracts of Curcuma longa L., Piper nigrum L. and Cuminum cyminum: an experimental and a quantum-mechanical study
Autor(a) principal: | |
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Data de Publicação: | 2022 |
Outros Autores: | , , , , , , , , |
Tipo de documento: | Artigo |
Idioma: | eng |
Título da fonte: | Journal of Health & Biological Sciences |
Texto Completo: | https://periodicos.unichristus.edu.br/jhbs/article/view/3859 |
Resumo: | Objectives: Evaluation of phenolic compounds and antioxidant activities of aqueous extracts of C. longa, P. nigrum and C. cyminum. In addition to proposing a quantum-mechanical model to evaluate the antioxidant activity. Methods: The aqueous extracts were prepared using roots of the Curcuma longa L., seeds of the Piper nigrum L. and seeds of Cuminum cyminum. The extracts were subjected to tests to detect and quantify phenolic compounds and to assess their antioxidant capacity by different methods. Furthermore, to investigate the electronic nature of the antioxidant activity of the main compounds present in these extracts, frontier molecular orbitals (FMOs) were obtained by the DFT/B3LYP/6-31G(d,p) level of theory. Results: After statistical analysis of the results, a greater number of phenolic compounds and better antioxidant activity was identified in the aqueous extracts of cumin (C. cyminum) in all three assays performed, when compared to the other extracts tested. The theoretical model based on the Pietro method is in agreement with the experimental results. Conclusion: This study has an innovative proposal with the trivial antioxidant activity combined with theoretical quantum-mechanical calculations that can serve to reduce costs and time and to predict the antioxidant activity of subsequent studies. |
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Determination of phenolic compounds and antioxidant potential of aqueous extracts of Curcuma longa L., Piper nigrum L. and Cuminum cyminum: an experimental and a quantum-mechanical studyDetermination of phenolic compounds and antioxidant potential of aqueous extracts of Curcuma longa L., Piper nigrum L. and Cuminum cyminum: an experimental and a quantum-mechanical studyCiências Biológicas; Ciências da Saúde; Ciências Médicas; Nutrição; Farmácia;Bioactive Compounds; Antioxidant Activities; Density Functional Theory; Frontier Molecular OrbitalsMedicinal plants.Medicinal plants.Objectives: Evaluation of phenolic compounds and antioxidant activities of aqueous extracts of C. longa, P. nigrum and C. cyminum. In addition to proposing a quantum-mechanical model to evaluate the antioxidant activity. Methods: The aqueous extracts were prepared using roots of the Curcuma longa L., seeds of the Piper nigrum L. and seeds of Cuminum cyminum. The extracts were subjected to tests to detect and quantify phenolic compounds and to assess their antioxidant capacity by different methods. Furthermore, to investigate the electronic nature of the antioxidant activity of the main compounds present in these extracts, frontier molecular orbitals (FMOs) were obtained by the DFT/B3LYP/6-31G(d,p) level of theory. Results: After statistical analysis of the results, a greater number of phenolic compounds and better antioxidant activity was identified in the aqueous extracts of cumin (C. cyminum) in all three assays performed, when compared to the other extracts tested. The theoretical model based on the Pietro method is in agreement with the experimental results. Conclusion: This study has an innovative proposal with the trivial antioxidant activity combined with theoretical quantum-mechanical calculations that can serve to reduce costs and time and to predict the antioxidant activity of subsequent studies.Objectives: Evaluation of phenolic compounds and antioxidant activities of aqueous extracts of C. longa, P. nigrum and C. cyminum. In addition to proposing a quantum-mechanical model to evaluate the antioxidant activity. Methods: The aqueous extracts were prepared using roots of the Curcuma longa L., seeds of the Piper nigrum L. and seeds of Cuminum cyminum. The extracts were subjected to tests to detect and quantify phenolic compounds and to assess their antioxidant capacity by different methods. Furthermore, in order to investigate the electronic nature of the antioxidant activity of the main compounds present in these extracts, frontier molecular orbitals (FMOs) were obtained by DFT/B3LYP/6-31G(d,p) level of theory. Results: After statistical analysis of the results, a greater number of phenolic compounds and better antioxidant activity was identified in the aqueous extracts of cumin (C. cyminum) in all three assays performed, when compared to the other extracts tested. The theoretical model based on the Pietro method is in agreement with the experimental results. Conclusion: This study has an innovative proposal with the trivial antioxidant activity combined with theoretical quantum-mechanical calculations that can serve to reduce costs and time and to predict the antioxidant activity of subsequent studies.Instituto para o Desenvolvimento da EducacaoCNPqCAPES/FUNCAPHigh-Performance Computing Center (NPAD)CAPES/FUNCAPHigh-Performance Computing Center (NPAD)CNPqFreitas, Morgana AMachado, Raynara I. ARocha, Isabelle H. M.Lima, Lorena S.Coutinho, Lucas P.Monteiro, Norberto K. V.L. Neto, PedroMazzetto, Selma E.Rocha, Hugo A. O.Machado, Richele J. A2022-04-06info:eu-repo/semantics/articleinfo:eu-repo/semantics/publishedVersionAvaliado por ParesPeer ReviewRevisado por paresapplication/pdfhttps://periodicos.unichristus.edu.br/jhbs/article/view/385910.12662/2317-3076jhbs.v10i1.3859.p1-10.2022Journal of Health & Biological Sciences; v. 10, n. 1 (2022): Journal of Health and Biological Sciences; 1-10Journal of Health & Biological Sciences; v. 10, n. 1 (2022): Journal of Health and Biological Sciences; 1-10Journal of Health and Biological Sciences; v. 10, n. 1 (2022): Journal of Health and Biological Sciences; 1-102317-30762317-308410.12662/2317-3076jhbs.v10i1.2022reponame:Journal of Health & Biological Sciencesinstname:Centro Universitário Christus (Unichristus)instacron:CHRISTUSenginfo:eu-repo/grantAgreement/EC/FP7/304152https://periodicos.unichristus.edu.br/jhbs/article/view/3859/1565info:eu-repo/semantics/openAccessDireitos autorais 2022 Journal of Health & Biological Scienceshttp://creativecommons.org/licenses/by-nc-sa/4.02022-12-31T20:14:05Zoai:ojs.unichristus.emnuvens.com.br:article/3859Revistahttps://periodicos.unichristus.edu.br/jhbs/indexPRIhttps://periodicos.unichristus.edu.br/jhbs/oaisecretaria.jhbs@unichristus.edu.br || editor.jhbs@fchristus.edu.br2317-30762317-3084opendoar:2023-01-13T09:47:24.643425Journal of Health & Biological Sciences - Centro Universitário Christus (Unichristus)true |
dc.title.none.fl_str_mv |
Determination of phenolic compounds and antioxidant potential of aqueous extracts of Curcuma longa L., Piper nigrum L. and Cuminum cyminum: an experimental and a quantum-mechanical study Determination of phenolic compounds and antioxidant potential of aqueous extracts of Curcuma longa L., Piper nigrum L. and Cuminum cyminum: an experimental and a quantum-mechanical study |
title |
Determination of phenolic compounds and antioxidant potential of aqueous extracts of Curcuma longa L., Piper nigrum L. and Cuminum cyminum: an experimental and a quantum-mechanical study |
spellingShingle |
Determination of phenolic compounds and antioxidant potential of aqueous extracts of Curcuma longa L., Piper nigrum L. and Cuminum cyminum: an experimental and a quantum-mechanical study Freitas, Morgana A Ciências Biológicas; Ciências da Saúde; Ciências Médicas; Nutrição; Farmácia; Bioactive Compounds; Antioxidant Activities; Density Functional Theory; Frontier Molecular Orbitals Medicinal plants. Medicinal plants. |
title_short |
Determination of phenolic compounds and antioxidant potential of aqueous extracts of Curcuma longa L., Piper nigrum L. and Cuminum cyminum: an experimental and a quantum-mechanical study |
title_full |
Determination of phenolic compounds and antioxidant potential of aqueous extracts of Curcuma longa L., Piper nigrum L. and Cuminum cyminum: an experimental and a quantum-mechanical study |
title_fullStr |
Determination of phenolic compounds and antioxidant potential of aqueous extracts of Curcuma longa L., Piper nigrum L. and Cuminum cyminum: an experimental and a quantum-mechanical study |
title_full_unstemmed |
Determination of phenolic compounds and antioxidant potential of aqueous extracts of Curcuma longa L., Piper nigrum L. and Cuminum cyminum: an experimental and a quantum-mechanical study |
title_sort |
Determination of phenolic compounds and antioxidant potential of aqueous extracts of Curcuma longa L., Piper nigrum L. and Cuminum cyminum: an experimental and a quantum-mechanical study |
author |
Freitas, Morgana A |
author_facet |
Freitas, Morgana A Machado, Raynara I. A Rocha, Isabelle H. M. Lima, Lorena S. Coutinho, Lucas P. Monteiro, Norberto K. V. L. Neto, Pedro Mazzetto, Selma E. Rocha, Hugo A. O. Machado, Richele J. A |
author_role |
author |
author2 |
Machado, Raynara I. A Rocha, Isabelle H. M. Lima, Lorena S. Coutinho, Lucas P. Monteiro, Norberto K. V. L. Neto, Pedro Mazzetto, Selma E. Rocha, Hugo A. O. Machado, Richele J. A |
author2_role |
author author author author author author author author author |
dc.contributor.none.fl_str_mv |
CNPq CAPES/FUNCAP High-Performance Computing Center (NPAD) CAPES/FUNCAP High-Performance Computing Center (NPAD) CNPq |
dc.contributor.author.fl_str_mv |
Freitas, Morgana A Machado, Raynara I. A Rocha, Isabelle H. M. Lima, Lorena S. Coutinho, Lucas P. Monteiro, Norberto K. V. L. Neto, Pedro Mazzetto, Selma E. Rocha, Hugo A. O. Machado, Richele J. A |
dc.subject.none.fl_str_mv |
|
dc.subject.por.fl_str_mv |
Ciências Biológicas; Ciências da Saúde; Ciências Médicas; Nutrição; Farmácia; Bioactive Compounds; Antioxidant Activities; Density Functional Theory; Frontier Molecular Orbitals Medicinal plants. Medicinal plants. |
topic |
Ciências Biológicas; Ciências da Saúde; Ciências Médicas; Nutrição; Farmácia; Bioactive Compounds; Antioxidant Activities; Density Functional Theory; Frontier Molecular Orbitals Medicinal plants. Medicinal plants. |
description |
Objectives: Evaluation of phenolic compounds and antioxidant activities of aqueous extracts of C. longa, P. nigrum and C. cyminum. In addition to proposing a quantum-mechanical model to evaluate the antioxidant activity. Methods: The aqueous extracts were prepared using roots of the Curcuma longa L., seeds of the Piper nigrum L. and seeds of Cuminum cyminum. The extracts were subjected to tests to detect and quantify phenolic compounds and to assess their antioxidant capacity by different methods. Furthermore, to investigate the electronic nature of the antioxidant activity of the main compounds present in these extracts, frontier molecular orbitals (FMOs) were obtained by the DFT/B3LYP/6-31G(d,p) level of theory. Results: After statistical analysis of the results, a greater number of phenolic compounds and better antioxidant activity was identified in the aqueous extracts of cumin (C. cyminum) in all three assays performed, when compared to the other extracts tested. The theoretical model based on the Pietro method is in agreement with the experimental results. Conclusion: This study has an innovative proposal with the trivial antioxidant activity combined with theoretical quantum-mechanical calculations that can serve to reduce costs and time and to predict the antioxidant activity of subsequent studies. |
publishDate |
2022 |
dc.date.none.fl_str_mv |
2022-04-06 |
dc.type.driver.fl_str_mv |
info:eu-repo/semantics/article info:eu-repo/semantics/publishedVersion Avaliado por Pares Peer Review Revisado por pares |
format |
article |
status_str |
publishedVersion |
dc.identifier.uri.fl_str_mv |
https://periodicos.unichristus.edu.br/jhbs/article/view/3859 10.12662/2317-3076jhbs.v10i1.3859.p1-10.2022 |
url |
https://periodicos.unichristus.edu.br/jhbs/article/view/3859 |
identifier_str_mv |
10.12662/2317-3076jhbs.v10i1.3859.p1-10.2022 |
dc.language.iso.fl_str_mv |
eng |
language |
eng |
dc.relation.none.fl_str_mv |
info:eu-repo/grantAgreement/EC/FP7/304152 https://periodicos.unichristus.edu.br/jhbs/article/view/3859/1565 |
dc.rights.driver.fl_str_mv |
info:eu-repo/semantics/openAccess Direitos autorais 2022 Journal of Health & Biological Sciences http://creativecommons.org/licenses/by-nc-sa/4.0 |
eu_rights_str_mv |
openAccess |
rights_invalid_str_mv |
Direitos autorais 2022 Journal of Health & Biological Sciences http://creativecommons.org/licenses/by-nc-sa/4.0 |
dc.format.none.fl_str_mv |
application/pdf |
dc.coverage.none.fl_str_mv |
|
dc.publisher.none.fl_str_mv |
Instituto para o Desenvolvimento da Educacao |
publisher.none.fl_str_mv |
Instituto para o Desenvolvimento da Educacao |
dc.source.none.fl_str_mv |
Journal of Health & Biological Sciences; v. 10, n. 1 (2022): Journal of Health and Biological Sciences; 1-10 Journal of Health & Biological Sciences; v. 10, n. 1 (2022): Journal of Health and Biological Sciences; 1-10 Journal of Health and Biological Sciences; v. 10, n. 1 (2022): Journal of Health and Biological Sciences; 1-10 2317-3076 2317-3084 10.12662/2317-3076jhbs.v10i1.2022 reponame:Journal of Health & Biological Sciences instname:Centro Universitário Christus (Unichristus) instacron:CHRISTUS |
instname_str |
Centro Universitário Christus (Unichristus) |
instacron_str |
CHRISTUS |
institution |
CHRISTUS |
reponame_str |
Journal of Health & Biological Sciences |
collection |
Journal of Health & Biological Sciences |
repository.name.fl_str_mv |
Journal of Health & Biological Sciences - Centro Universitário Christus (Unichristus) |
repository.mail.fl_str_mv |
secretaria.jhbs@unichristus.edu.br || editor.jhbs@fchristus.edu.br |
_version_ |
1797052856479514624 |