H NMR, FAAS, portable NIR, benchtop NIR, and ATR-FTIR-MIR spectroscopies for characterizing and discriminating new Brazilian Canephora coffees in a multi-block analysis perspective.

Different analytical techniques, mixing single and multi-block chemometric analyses in supervised and unsu- pervised approaches, and the selection of variables in the coffee discrimination domain have been reported. Molecular and atomic spectroscopic techniques (1H NMR, portable NIR, benchtop NIR, ATR-FTIR-MIR, and FAAS) were used to characterize and discriminate Brazilian Canephora coffees of specific producers, including two with geographical indication, and also to differentiate them from the Arabica. The sample set comprised 100 Canephora samples of different geographical origins in Brazil (Conilon from Espírito Santo, Amazonian Robusta from indigenous and non-indigenous producers of Rondonia, and Conilon from Bahia) and Arabica coffee (25 samples). ComDim exploratory multi-block analysis was first used to evaluate the contributions of all the different data blocks that characterized the samples and determine the calibration and validation sets. Multi- block discrimination by the SO-PLS-LDA was then used to validate the feasibility of discrimination, and to identify the relevant analytical techniques. The discrimination based on all the blocks presented 100% correct discrimination on training, cross-validation, and test sets, and suggested that only a single block (benchtop NIR) is needed to achieve a perfect discrimination. PLS-DA was then applied to the data from portable NIR to evaluate whether comparable performances could be achieved; all test samples were correctly discriminated with the exception of two Robusta Amazonico from non-indigenous producers and two Conilon from Espírito Santo, indicating that very accurate results can be obtained also using a portable instrument. Finally, the use of CovSel- DA allowed the discrimination to be optimized on the most cost-effective analytical technique (portable NIR). CovSel-LDA models selected the best variables for benchtop and portable NIR, impacting positively portable NIR performance and suggesting that portable NIR could bring comparable or at least only slightly worse perfor- mance than benchtop NIR for discrimination.

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Main Authors: BAQUETA, M. R., VALDERRAMA, P., MANDRONE, M., POLI, F., COQUEIRO, A., COSTA-SANTOS, A. C., REBELLATO. A. A., LUZ, G. M., ROCHA, R. B., PALLONE, J. A. L., MARINI, F.
Other Authors: MICHEL ROCHA BAQUETA, UNIVERSIDADE DE CAMPINAS; PATRÍCIA VALDERRAMA UNIVERSIDADE TECNOLÓGICA FEDERAL DO PARANÁ, UNIVERSIDADE TECNOLÓGICA FEDERAL DO PARANÁ; MANUELA MANDRONE, UNIVERSITY OF BOLOGNA; FERRUCCIO POLI UNIVERSITY OF BOLOGNA, UNIVERSITY OF BOLOGNA; ALINE COQUEIRO, UNIVERSIDADE TECNOLÓGICA FEDERAL DO PARANÁ; AUGUSTO CESAR COSTA-SANTOS, UNIVERSIDADE ESTADUAL DE CAMPINAS; ANA PAULA REBELLATO, UNIVERSIDADE ESTADUAL DE CAMPINAS; GISELE MARCONDES LUZ, UNIVERSIDADE ESTADUAL DE CAMPINAS; RODRIGO BARROS ROCHA, CPAF-RO; JULIANA AZEVEDO LIMA PALLONE, UNIVERSIDADE ESTADUAL DE CAMPINAS; FEDERICO MARINI, UNIVERSITY OF ROME.
Format: Artigo de periódico biblioteca
Language:eng
Published: 2024-04-24
Subjects:Coffee, Conilon, Data fusio, Multi-block, Fine Amazonian Robusta coffee,
Online Access:http://www.alice.cnptia.embrapa.br/alice/handle/doc/1163879
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spelling dig-alice-doc-11638792024-04-24T19:54:12Z H NMR, FAAS, portable NIR, benchtop NIR, and ATR-FTIR-MIR spectroscopies for characterizing and discriminating new Brazilian Canephora coffees in a multi-block analysis perspective. BAQUETA, M. R. VALDERRAMA, P. MANDRONE, M. POLI, F. COQUEIRO, A. COSTA-SANTOS, A. C. REBELLATO. A. A. LUZ, G. M. ROCHA, R. B. PALLONE, J. A. L. MARINI, F. MICHEL ROCHA BAQUETA, UNIVERSIDADE DE CAMPINAS; PATRÍCIA VALDERRAMA UNIVERSIDADE TECNOLÓGICA FEDERAL DO PARANÁ, UNIVERSIDADE TECNOLÓGICA FEDERAL DO PARANÁ; MANUELA MANDRONE, UNIVERSITY OF BOLOGNA; FERRUCCIO POLI UNIVERSITY OF BOLOGNA, UNIVERSITY OF BOLOGNA; ALINE COQUEIRO, UNIVERSIDADE TECNOLÓGICA FEDERAL DO PARANÁ; AUGUSTO CESAR COSTA-SANTOS, UNIVERSIDADE ESTADUAL DE CAMPINAS; ANA PAULA REBELLATO, UNIVERSIDADE ESTADUAL DE CAMPINAS; GISELE MARCONDES LUZ, UNIVERSIDADE ESTADUAL DE CAMPINAS; RODRIGO BARROS ROCHA, CPAF-RO; JULIANA AZEVEDO LIMA PALLONE, UNIVERSIDADE ESTADUAL DE CAMPINAS; FEDERICO MARINI, UNIVERSITY OF ROME. Coffee Conilon Data fusio Multi-block Fine Amazonian Robusta coffee Different analytical techniques, mixing single and multi-block chemometric analyses in supervised and unsu- pervised approaches, and the selection of variables in the coffee discrimination domain have been reported. Molecular and atomic spectroscopic techniques (1H NMR, portable NIR, benchtop NIR, ATR-FTIR-MIR, and FAAS) were used to characterize and discriminate Brazilian Canephora coffees of specific producers, including two with geographical indication, and also to differentiate them from the Arabica. The sample set comprised 100 Canephora samples of different geographical origins in Brazil (Conilon from Espírito Santo, Amazonian Robusta from indigenous and non-indigenous producers of Rondonia, and Conilon from Bahia) and Arabica coffee (25 samples). ComDim exploratory multi-block analysis was first used to evaluate the contributions of all the different data blocks that characterized the samples and determine the calibration and validation sets. Multi- block discrimination by the SO-PLS-LDA was then used to validate the feasibility of discrimination, and to identify the relevant analytical techniques. The discrimination based on all the blocks presented 100% correct discrimination on training, cross-validation, and test sets, and suggested that only a single block (benchtop NIR) is needed to achieve a perfect discrimination. PLS-DA was then applied to the data from portable NIR to evaluate whether comparable performances could be achieved; all test samples were correctly discriminated with the exception of two Robusta Amazonico from non-indigenous producers and two Conilon from Espírito Santo, indicating that very accurate results can be obtained also using a portable instrument. Finally, the use of CovSel- DA allowed the discrimination to be optimized on the most cost-effective analytical technique (portable NIR). CovSel-LDA models selected the best variables for benchtop and portable NIR, impacting positively portable NIR performance and suggesting that portable NIR could bring comparable or at least only slightly worse perfor- mance than benchtop NIR for discrimination. 2024-04-24T19:54:12Z 2024-04-24T19:54:12Z 2024-04-24 2023 Artigo de periódico Chemometrics and Intelligent Laboratory Systems, v. 240, 2023. http://www.alice.cnptia.embrapa.br/alice/handle/doc/1163879 eng openAccess
institution EMBRAPA
collection DSpace
country Brasil
countrycode BR
component Bibliográfico
access En linea
databasecode dig-alice
tag biblioteca
region America del Sur
libraryname Sistema de bibliotecas de EMBRAPA
language eng
topic Coffee
Conilon
Data fusio
Multi-block
Fine Amazonian Robusta coffee
Coffee
Conilon
Data fusio
Multi-block
Fine Amazonian Robusta coffee
spellingShingle Coffee
Conilon
Data fusio
Multi-block
Fine Amazonian Robusta coffee
Coffee
Conilon
Data fusio
Multi-block
Fine Amazonian Robusta coffee
BAQUETA, M. R.
VALDERRAMA, P.
MANDRONE, M.
POLI, F.
COQUEIRO, A.
COSTA-SANTOS, A. C.
REBELLATO. A. A.
LUZ, G. M.
ROCHA, R. B.
PALLONE, J. A. L.
MARINI, F.
H NMR, FAAS, portable NIR, benchtop NIR, and ATR-FTIR-MIR spectroscopies for characterizing and discriminating new Brazilian Canephora coffees in a multi-block analysis perspective.
description Different analytical techniques, mixing single and multi-block chemometric analyses in supervised and unsu- pervised approaches, and the selection of variables in the coffee discrimination domain have been reported. Molecular and atomic spectroscopic techniques (1H NMR, portable NIR, benchtop NIR, ATR-FTIR-MIR, and FAAS) were used to characterize and discriminate Brazilian Canephora coffees of specific producers, including two with geographical indication, and also to differentiate them from the Arabica. The sample set comprised 100 Canephora samples of different geographical origins in Brazil (Conilon from Espírito Santo, Amazonian Robusta from indigenous and non-indigenous producers of Rondonia, and Conilon from Bahia) and Arabica coffee (25 samples). ComDim exploratory multi-block analysis was first used to evaluate the contributions of all the different data blocks that characterized the samples and determine the calibration and validation sets. Multi- block discrimination by the SO-PLS-LDA was then used to validate the feasibility of discrimination, and to identify the relevant analytical techniques. The discrimination based on all the blocks presented 100% correct discrimination on training, cross-validation, and test sets, and suggested that only a single block (benchtop NIR) is needed to achieve a perfect discrimination. PLS-DA was then applied to the data from portable NIR to evaluate whether comparable performances could be achieved; all test samples were correctly discriminated with the exception of two Robusta Amazonico from non-indigenous producers and two Conilon from Espírito Santo, indicating that very accurate results can be obtained also using a portable instrument. Finally, the use of CovSel- DA allowed the discrimination to be optimized on the most cost-effective analytical technique (portable NIR). CovSel-LDA models selected the best variables for benchtop and portable NIR, impacting positively portable NIR performance and suggesting that portable NIR could bring comparable or at least only slightly worse perfor- mance than benchtop NIR for discrimination.
author2 MICHEL ROCHA BAQUETA, UNIVERSIDADE DE CAMPINAS; PATRÍCIA VALDERRAMA UNIVERSIDADE TECNOLÓGICA FEDERAL DO PARANÁ, UNIVERSIDADE TECNOLÓGICA FEDERAL DO PARANÁ; MANUELA MANDRONE, UNIVERSITY OF BOLOGNA; FERRUCCIO POLI UNIVERSITY OF BOLOGNA, UNIVERSITY OF BOLOGNA; ALINE COQUEIRO, UNIVERSIDADE TECNOLÓGICA FEDERAL DO PARANÁ; AUGUSTO CESAR COSTA-SANTOS, UNIVERSIDADE ESTADUAL DE CAMPINAS; ANA PAULA REBELLATO, UNIVERSIDADE ESTADUAL DE CAMPINAS; GISELE MARCONDES LUZ, UNIVERSIDADE ESTADUAL DE CAMPINAS; RODRIGO BARROS ROCHA, CPAF-RO; JULIANA AZEVEDO LIMA PALLONE, UNIVERSIDADE ESTADUAL DE CAMPINAS; FEDERICO MARINI, UNIVERSITY OF ROME.
author_facet MICHEL ROCHA BAQUETA, UNIVERSIDADE DE CAMPINAS; PATRÍCIA VALDERRAMA UNIVERSIDADE TECNOLÓGICA FEDERAL DO PARANÁ, UNIVERSIDADE TECNOLÓGICA FEDERAL DO PARANÁ; MANUELA MANDRONE, UNIVERSITY OF BOLOGNA; FERRUCCIO POLI UNIVERSITY OF BOLOGNA, UNIVERSITY OF BOLOGNA; ALINE COQUEIRO, UNIVERSIDADE TECNOLÓGICA FEDERAL DO PARANÁ; AUGUSTO CESAR COSTA-SANTOS, UNIVERSIDADE ESTADUAL DE CAMPINAS; ANA PAULA REBELLATO, UNIVERSIDADE ESTADUAL DE CAMPINAS; GISELE MARCONDES LUZ, UNIVERSIDADE ESTADUAL DE CAMPINAS; RODRIGO BARROS ROCHA, CPAF-RO; JULIANA AZEVEDO LIMA PALLONE, UNIVERSIDADE ESTADUAL DE CAMPINAS; FEDERICO MARINI, UNIVERSITY OF ROME.
BAQUETA, M. R.
VALDERRAMA, P.
MANDRONE, M.
POLI, F.
COQUEIRO, A.
COSTA-SANTOS, A. C.
REBELLATO. A. A.
LUZ, G. M.
ROCHA, R. B.
PALLONE, J. A. L.
MARINI, F.
format Artigo de periódico
topic_facet Coffee
Conilon
Data fusio
Multi-block
Fine Amazonian Robusta coffee
author BAQUETA, M. R.
VALDERRAMA, P.
MANDRONE, M.
POLI, F.
COQUEIRO, A.
COSTA-SANTOS, A. C.
REBELLATO. A. A.
LUZ, G. M.
ROCHA, R. B.
PALLONE, J. A. L.
MARINI, F.
author_sort BAQUETA, M. R.
title H NMR, FAAS, portable NIR, benchtop NIR, and ATR-FTIR-MIR spectroscopies for characterizing and discriminating new Brazilian Canephora coffees in a multi-block analysis perspective.
title_short H NMR, FAAS, portable NIR, benchtop NIR, and ATR-FTIR-MIR spectroscopies for characterizing and discriminating new Brazilian Canephora coffees in a multi-block analysis perspective.
title_full H NMR, FAAS, portable NIR, benchtop NIR, and ATR-FTIR-MIR spectroscopies for characterizing and discriminating new Brazilian Canephora coffees in a multi-block analysis perspective.
title_fullStr H NMR, FAAS, portable NIR, benchtop NIR, and ATR-FTIR-MIR spectroscopies for characterizing and discriminating new Brazilian Canephora coffees in a multi-block analysis perspective.
title_full_unstemmed H NMR, FAAS, portable NIR, benchtop NIR, and ATR-FTIR-MIR spectroscopies for characterizing and discriminating new Brazilian Canephora coffees in a multi-block analysis perspective.
title_sort h nmr, faas, portable nir, benchtop nir, and atr-ftir-mir spectroscopies for characterizing and discriminating new brazilian canephora coffees in a multi-block analysis perspective.
publishDate 2024-04-24
url http://www.alice.cnptia.embrapa.br/alice/handle/doc/1163879
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