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Registro Completo |
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Biblioteca(s): |
Embrapa Café. |
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Data corrente: |
10/01/2025 |
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Data da última atualização: |
10/01/2025 |
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Tipo da produção científica: |
Artigo em Periódico Indexado |
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Autoria: |
BAQUETA, M. R.; PALLONE, J. A. L.; PILAU, E. J.; GOULART, B. H. F.; ROCHA, R. B.; VALDERRAMA, P. |
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Afiliação: |
MICHEL ROCHA BAQUETA, UNIVERSIDADE ESTADUAL DE CAMPINAS; JULIANA AZEVEDO LIMA PALLONE, UNIVERSIDADE ESTADUAL DE CAMPINAS; EDUARDO JORGE PILAU, UNIVERSIDADE ESTADUAL DE MARINGÁ; BRUNO HENRIQUE FERMINO GOULART, UNIVERSIDADE ESTADUAL DE MARINGÁ; RODRIGO BARROS ROCHA, CNPCA; PATRÍCIA VALDERRAMA, UNIVERSIDADE TECNOLÓGICA FEDERAL DO PARANÁ. |
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Título: |
Enhancing mass spectrometry interpretability by ComDim-ICA multi-block analysis: Geographical and varietal traceability of Brazilian Coffea canephora. |
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Ano de publicação: |
2025 |
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Fonte/Imprenta: |
Talanta, v. 281, 126927, 2025. |
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Páginas: |
9 p. |
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DOI: |
https://doi.org/10.1016/j.talanta.2024.126927 |
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Idioma: |
Inglês |
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Conteúdo: |
Mass spectrometry can gain analytical interpretability by studying complementarity and synergy between the data obtained by the same technique. To explore its potential in an untargeted metabolomic application, the objective of this work was to obtain organic and aqueous coffee extracts of three coffee Canephora groups produced in Brazil with distinctive aspects: geographical origin and botanical variety. Aqueous and organic extracts of roasted coffee beans were analyzed by direct infusion electrospray ionization mass spectrometry. Due to the large number of samples, the injector of the liquid chromatography system was used to automate the analysis. The column was removed, and a peak tube was added to connect the system directly to the mass spectrometer to inject both polar and nonpolar fractions of the coffee extracts individually. The technique provided characteristic fingerprinting mass spectra that not only allowed for differentiation of geographical origins but also between robusta and conilon botanical varieties. The mass spectra of the organic and water extracts represented two separate data blocks to be analyzed by the ComDim-ICA multi-block data analysis method. While the classical ComDim is based on applying PCA to the iteratively reweighted concatenated matrices, in the ComDim-ICA, the factorization is done using independent components analysis, which promotes specific improvements since it is based on extracting components that are statistically independent of one another. The results highlighted by ComDim-ICA show that both water and organic extracts contributed with important ions to the characterization of the coffee composition. However, the results revealed a high variability of metabolomic composition within each botanical variety (Robusta Amazˆonico and Conilon Capixaba) and geographical provenance (Rondˆ onia indigenous-1, Rondˆ onia non-indigenous-2 and Espírito Santo-3). Even so, water mass spectra differentiated the botanical variety Conilon from Robusta based on significant ions related to trigonelline, caffeic acid, caffeoylquinic acid, and methylpyridinium; both water and organic mass spectra differentiated Rondˆ onia indigenous from Rondˆ onia non-indigenous and Espírito Santo Conilon based on significant ions related to benzoic acid, pentose, coumaric acid, caffeine in the organic extract and malonic acid, pentose, caffeoylquinic acid, methyl pyridinium, caffeine, and sucrose present in the water extract. With the proposed approach acquiring ion fingerprints of different coffee extracts and their subsequent analysis by ComDim-ICA, new complementary chemical aspects of Brazilian Coffea canephora were put in evidence. MenosMass spectrometry can gain analytical interpretability by studying complementarity and synergy between the data obtained by the same technique. To explore its potential in an untargeted metabolomic application, the objective of this work was to obtain organic and aqueous coffee extracts of three coffee Canephora groups produced in Brazil with distinctive aspects: geographical origin and botanical variety. Aqueous and organic extracts of roasted coffee beans were analyzed by direct infusion electrospray ionization mass spectrometry. Due to the large number of samples, the injector of the liquid chromatography system was used to automate the analysis. The column was removed, and a peak tube was added to connect the system directly to the mass spectrometer to inject both polar and nonpolar fractions of the coffee extracts individually. The technique provided characteristic fingerprinting mass spectra that not only allowed for differentiation of geographical origins but also between robusta and conilon botanical varieties. The mass spectra of the organic and water extracts represented two separate data blocks to be analyzed by the ComDim-ICA multi-block data analysis method. While the classical ComDim is based on applying PCA to the iteratively reweighted concatenated matrices, in the ComDim-ICA, the factorization is done using independent components analysis, which promotes specific improvements since it is based on extracting components that are statistically independent of on... Mostrar Tudo |
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Thesagro: |
Coffea Canephora. |
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Thesaurus Nal: |
Chemometrics; Geographical variation; Mass spectrometry. |
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Categoria do assunto: |
-- |
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Marc: |
LEADER 03506naa a2200253 a 4500
001 2171388
005 2025-01-10
008 2025 bl uuuu u00u1 u #d
024 7 $ahttps://doi.org/10.1016/j.talanta.2024.126927$2DOI
100 1 $aBAQUETA, M. R.
245 $aEnhancing mass spectrometry interpretability by ComDim-ICA multi-block analysis$bGeographical and varietal traceability of Brazilian Coffea canephora.$h[electronic resource]
260 $c2025
300 $a9 p.
520 $aMass spectrometry can gain analytical interpretability by studying complementarity and synergy between the data obtained by the same technique. To explore its potential in an untargeted metabolomic application, the objective of this work was to obtain organic and aqueous coffee extracts of three coffee Canephora groups produced in Brazil with distinctive aspects: geographical origin and botanical variety. Aqueous and organic extracts of roasted coffee beans were analyzed by direct infusion electrospray ionization mass spectrometry. Due to the large number of samples, the injector of the liquid chromatography system was used to automate the analysis. The column was removed, and a peak tube was added to connect the system directly to the mass spectrometer to inject both polar and nonpolar fractions of the coffee extracts individually. The technique provided characteristic fingerprinting mass spectra that not only allowed for differentiation of geographical origins but also between robusta and conilon botanical varieties. The mass spectra of the organic and water extracts represented two separate data blocks to be analyzed by the ComDim-ICA multi-block data analysis method. While the classical ComDim is based on applying PCA to the iteratively reweighted concatenated matrices, in the ComDim-ICA, the factorization is done using independent components analysis, which promotes specific improvements since it is based on extracting components that are statistically independent of one another. The results highlighted by ComDim-ICA show that both water and organic extracts contributed with important ions to the characterization of the coffee composition. However, the results revealed a high variability of metabolomic composition within each botanical variety (Robusta Amazˆonico and Conilon Capixaba) and geographical provenance (Rondˆ onia indigenous-1, Rondˆ onia non-indigenous-2 and Espírito Santo-3). Even so, water mass spectra differentiated the botanical variety Conilon from Robusta based on significant ions related to trigonelline, caffeic acid, caffeoylquinic acid, and methylpyridinium; both water and organic mass spectra differentiated Rondˆ onia indigenous from Rondˆ onia non-indigenous and Espírito Santo Conilon based on significant ions related to benzoic acid, pentose, coumaric acid, caffeine in the organic extract and malonic acid, pentose, caffeoylquinic acid, methyl pyridinium, caffeine, and sucrose present in the water extract. With the proposed approach acquiring ion fingerprints of different coffee extracts and their subsequent analysis by ComDim-ICA, new complementary chemical aspects of Brazilian Coffea canephora were put in evidence.
650 $aChemometrics
650 $aGeographical variation
650 $aMass spectrometry
650 $aCoffea Canephora
700 1 $aPALLONE, J. A. L.
700 1 $aPILAU, E. J.
700 1 $aGOULART, B. H. F.
700 1 $aROCHA, R. B.
700 1 $aVALDERRAMA, P.
773 $tTalanta$gv. 281, 126927, 2025.
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Registro original: |
Embrapa Café (CNPCa) |
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| Registros recuperados : 23 | |
| 12. |  | KURIHARA, C. H.; STAUT, L. A.; LANDERS, J. N.; HEMELLEWSKI, C. J. Uso racional de adubo em soja no Sistema Plantio Direto. Direto no Cerrado, Brasília, DF, ano 13, n. 51, p. 11-12, maio/junho 2008.| Tipo: Artigo de Divulgação na Mídia |
| Biblioteca(s): Embrapa Agropecuária Oeste. |
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| 13. | | TEIXEIRA, S. M.; FREITAS, P. L. de; LANDERS, J. N.; BLANCANEAUX, P.; MILHOMEM, A. de V. Les effets économiques et pédologiques du semis direct dans les savanes brésiliennes (Cerrados): une technique agricole qui améliore la durabilité d'un système cultural. Bulletin Réseau Erosion, v. 15, p. 300-316, 1995. XIème Journées du Réseau Erosion, 1995, Bondy.| Tipo: Artigo em Anais de Congresso |
| Biblioteca(s): Embrapa Solos. |
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| 15. | | HERNANI, L. C.; FREITAS, P. L. de; DENARDIN, J. E.; KOCHHANN, R. A.; DE MARIA, I. C.; LANDERS, J. N. Uma resposta conservacionista: o impacto do sistema plantio direto. In: MANZATTO, C. V.; FREITAS JUNIOR, E. de; PERES, J. R. R. (ed.). Uso agrícola dos solos brasileiros. Rio de Janeiro: Embrapa Solos, 2002. cap. 14, p. 151-161.| Tipo: Capítulo em Livro Técnico-Científico |
| Biblioteca(s): Embrapa Solos; Embrapa Trigo. |
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| 17. | | LANDERS, J. N.; FREITAS, P. L. de; CARVALHO, M. O. de; SILVA NETO, S. P. da; RALISCH, R. Conservation agriculture (CA) has to move on. In: WORLD CONGRESS ON CONSERVATION AGRICULTURE, 8., 2021, Bern, Switzerland. The future of farming: profitable and sustainable farming with conservation agriculture. Brussels: European Conservation Agriculture Federation, 2021. Evento online.| Tipo: Artigo em Anais de Congresso |
| Biblioteca(s): Embrapa Cerrados. |
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| 18. | | LANDERS, J. N.; FREITAS, P. L. de; CARVALHO, M. O. de; SILVA NETO, S. P. da; RALISCH, R. Conservation agriculture (CA) has to move on. In: WORLD CONGRESS ON CONSERVATION AGRICULTURE, 8., 2021, Bern, Switzerland. The future of farming: profitable and sustainable farming with conservation agriculture. Brussels: European Conservation Agriculture Federation, 2021. Evento online.| Tipo: Artigo em Anais de Congresso |
| Biblioteca(s): Embrapa Solos. |
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| 19. | | DUMANSKI, J.; DESJARDINS, R. L.; LAL, R.; ROSEGRANT, M.; FREITAS, P. L. de; LANDERS, J. N.; GERBER, P.; STEINFELD, H.; VERCHOT, L.; SCHUMAN, G. E.; DERNER, J. D. Supporting evidence for greenhouse gas mitigation in agriculture. In: STINGTER, K. Applied agrometeorology. Heidelberg: Springer, 2010. p. 989-996.| Tipo: Capítulo em Livro Técnico-Científico |
| Biblioteca(s): Embrapa Solos. |
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| 20. | | LANDERS, J. N.; RASS, G.; FREITAS, P. L. de; BASH, G.; GONZÁLEZ SANCHEZ, E. J.; TABAGLIO, V.; KASSAN, A.; DERPSCH, R.; FRIEDRICH, T.; GIUPPONI, L. Effects of zero tillage (no-till) conservation agriculture on soil physical and biological properties and their contributions to sustainability. Geophysical Research Abstracts, v. 15, 2013.| Tipo: Resumo em Anais de Congresso |
| Biblioteca(s): Embrapa Solos. |
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| Registros recuperados : 23 | |
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