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UHPLC-HRMS/MS on untargeted metabolomics: a case study with Copaifera (Fabaceae)

Untargeted metabolomics is a powerful tool in chemical fingerprinting. It can be applied in phytochemistry to aid species identification, systematic studies and quality control of bioproducts. This approach aims to produce as much chemical information as possible, without focusing on any specific ch...

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Autores principales: Antonio, Ananda da Silva, Oliveira, Davi Santos, Cardoso dos Santos, Gustavo Ramalho, Pereira, Henrique Marcelo Gualberto, Wiedemann, Larissa Silveira Moreira, da Veiga-Junior, Valdir Florêncio
Formato: Online Artículo Texto
Lenguaje:English
Publicado: The Royal Society of Chemistry 2021
Materias:
Acceso en línea:https://www.ncbi.nlm.nih.gov/pmc/articles/PMC9036981/
https://www.ncbi.nlm.nih.gov/pubmed/35481022
http://dx.doi.org/10.1039/d1ra03163e
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author Antonio, Ananda da Silva
Oliveira, Davi Santos
Cardoso dos Santos, Gustavo Ramalho
Pereira, Henrique Marcelo Gualberto
Wiedemann, Larissa Silveira Moreira
da Veiga-Junior, Valdir Florêncio
author_facet Antonio, Ananda da Silva
Oliveira, Davi Santos
Cardoso dos Santos, Gustavo Ramalho
Pereira, Henrique Marcelo Gualberto
Wiedemann, Larissa Silveira Moreira
da Veiga-Junior, Valdir Florêncio
author_sort Antonio, Ananda da Silva
collection PubMed
description Untargeted metabolomics is a powerful tool in chemical fingerprinting. It can be applied in phytochemistry to aid species identification, systematic studies and quality control of bioproducts. This approach aims to produce as much chemical information as possible, without focusing on any specific chemical class, thus, requiring extensive chemometric effort. This study aimed to evaluate the feasibly of an untargeted metabolomics method in phytochemistry by a study case of the Copaifera genus (Fabaceae). This genus contains significant medicinal species used worldwidely. Copaifera exploitation issues include a lack of chemical data, ambiguous species identification methods and absence of quality control for its bioproducts. Different organs of five Copaifera species were analysed by UHPLC-HRMS/MS, GNPS platform and chemometric tools. Untargeted metabolomics enabled the identification of 19 chemical markers and 29 metabolites, distinguishing each sample by species, plant organs, and biome type. Chemical markers were classified as flavonoids, terpenoids and condensed tannins. The applied method provided reliable information about species chemodiversity using fast workflow with little sampling size. The untargeted approach by UHPLC-HRMS/MS proved to be a promising tool for species identification, pharmacological prospecting and in the future for the quality control of extracts used in the manufacture of bioproducts.
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spelling pubmed-90369812022-04-26 UHPLC-HRMS/MS on untargeted metabolomics: a case study with Copaifera (Fabaceae) Antonio, Ananda da Silva Oliveira, Davi Santos Cardoso dos Santos, Gustavo Ramalho Pereira, Henrique Marcelo Gualberto Wiedemann, Larissa Silveira Moreira da Veiga-Junior, Valdir Florêncio RSC Adv Chemistry Untargeted metabolomics is a powerful tool in chemical fingerprinting. It can be applied in phytochemistry to aid species identification, systematic studies and quality control of bioproducts. This approach aims to produce as much chemical information as possible, without focusing on any specific chemical class, thus, requiring extensive chemometric effort. This study aimed to evaluate the feasibly of an untargeted metabolomics method in phytochemistry by a study case of the Copaifera genus (Fabaceae). This genus contains significant medicinal species used worldwidely. Copaifera exploitation issues include a lack of chemical data, ambiguous species identification methods and absence of quality control for its bioproducts. Different organs of five Copaifera species were analysed by UHPLC-HRMS/MS, GNPS platform and chemometric tools. Untargeted metabolomics enabled the identification of 19 chemical markers and 29 metabolites, distinguishing each sample by species, plant organs, and biome type. Chemical markers were classified as flavonoids, terpenoids and condensed tannins. The applied method provided reliable information about species chemodiversity using fast workflow with little sampling size. The untargeted approach by UHPLC-HRMS/MS proved to be a promising tool for species identification, pharmacological prospecting and in the future for the quality control of extracts used in the manufacture of bioproducts. The Royal Society of Chemistry 2021-07-19 /pmc/articles/PMC9036981/ /pubmed/35481022 http://dx.doi.org/10.1039/d1ra03163e Text en This journal is © The Royal Society of Chemistry https://creativecommons.org/licenses/by-nc/3.0/
spellingShingle Chemistry
Antonio, Ananda da Silva
Oliveira, Davi Santos
Cardoso dos Santos, Gustavo Ramalho
Pereira, Henrique Marcelo Gualberto
Wiedemann, Larissa Silveira Moreira
da Veiga-Junior, Valdir Florêncio
UHPLC-HRMS/MS on untargeted metabolomics: a case study with Copaifera (Fabaceae)
title UHPLC-HRMS/MS on untargeted metabolomics: a case study with Copaifera (Fabaceae)
title_full UHPLC-HRMS/MS on untargeted metabolomics: a case study with Copaifera (Fabaceae)
title_fullStr UHPLC-HRMS/MS on untargeted metabolomics: a case study with Copaifera (Fabaceae)
title_full_unstemmed UHPLC-HRMS/MS on untargeted metabolomics: a case study with Copaifera (Fabaceae)
title_short UHPLC-HRMS/MS on untargeted metabolomics: a case study with Copaifera (Fabaceae)
title_sort uhplc-hrms/ms on untargeted metabolomics: a case study with copaifera (fabaceae)
topic Chemistry
url https://www.ncbi.nlm.nih.gov/pmc/articles/PMC9036981/
https://www.ncbi.nlm.nih.gov/pubmed/35481022
http://dx.doi.org/10.1039/d1ra03163e
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