Estimation of ascorbic acid in intact acerola (Malpighia emarginata DC) fruit by NIRS and chemometric analysis
Autor(a) principal: | |
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Data de Publicação: | 2019 |
Outros Autores: | , , , , , |
Tipo de documento: | Artigo |
Idioma: | eng |
Título da fonte: | Repositório Institucional da UFRN |
Texto Completo: | https://repositorio.ufrn.br/handle/123456789/45378 |
Resumo: | Acerola fruit is one of the richest natural sources of ascorbic acid ever known. As a consequence, acerola fruit and its products are demanded worldwide for the production of health supplements and the development of functional products. However, the analytical determination of ascorbic acid is time-consuming and costly. In this study, we show a non-destructive, reliable, and fast method to measure the ascorbic acid content in intact acerola, using near-infrared spectroscopy (NIRS) associated with multivariate calibration methods. Models using variable selection by means of interval partial least squares (iPLS) and a genetic algorithm (GA) were tested. The best model for ascorbic acid content, based on the prediction performance, was the GA-PLS method with second derivative spectral pretreatment, with a root mean square error of cross-validation equal to 22.9 mg/100 g, root mean square error of prediction equal to 46.3 mg/100 g, ratio of prediction to deviation equal to 8.0, determination coefficient for calibration equal to 0.98 and determination coefficient for prediction equal to 0.96. The current methodology, using NIR spectroscopy and chemometrics, is a promising and rapid tool to determine the ascorbic acid content of intact acerola fruit |
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Moraes, Francisca Pereira deCosta, Rosangela CâmaraMorais, Camilo de Lelis Medeiros deMedeiros, Fábio Gonçalves Macêdo deFernandes, Tássia Rayane NascimentoHoskin, Roberta TarginoLima, Kássio Michell Gomes de2021-12-15T14:39:12Z2021-12-15T14:39:12Z2019MORAES, Francisca; COSTA, Rosangela; MORAIS, Camilo; MEDEIROS, Fábio; FERNANDES, Tássia; HOSKIN, Roberta ; LIMA, Kássio. Estimation of Ascorbic Acid in Intact Acerola (Malpighia emarginata DC) Fruit by NIRS and Chemometric Analysis. Horticulturae, v. 5, p. 12, 2019. Disponível em: https://www.mdpi.com/2311-7524/5/1/12. Acesso em: 04 nov. 2021. https://doi.org/10.3390/horticulturae50100122311-7524https://repositorio.ufrn.br/handle/123456789/4537810.3390/horticulturae5010012MDPIAttribution 3.0 Brazilhttp://creativecommons.org/licenses/by/3.0/br/info:eu-repo/semantics/openAccessAcerolaNIRSPLSiPLSGA-PLSascorbic acidEstimation of ascorbic acid in intact acerola (Malpighia emarginata DC) fruit by NIRS and chemometric analysisinfo:eu-repo/semantics/publishedVersioninfo:eu-repo/semantics/articleAcerola fruit is one of the richest natural sources of ascorbic acid ever known. As a consequence, acerola fruit and its products are demanded worldwide for the production of health supplements and the development of functional products. However, the analytical determination of ascorbic acid is time-consuming and costly. In this study, we show a non-destructive, reliable, and fast method to measure the ascorbic acid content in intact acerola, using near-infrared spectroscopy (NIRS) associated with multivariate calibration methods. Models using variable selection by means of interval partial least squares (iPLS) and a genetic algorithm (GA) were tested. The best model for ascorbic acid content, based on the prediction performance, was the GA-PLS method with second derivative spectral pretreatment, with a root mean square error of cross-validation equal to 22.9 mg/100 g, root mean square error of prediction equal to 46.3 mg/100 g, ratio of prediction to deviation equal to 8.0, determination coefficient for calibration equal to 0.98 and determination coefficient for prediction equal to 0.96. The current methodology, using NIR spectroscopy and chemometrics, is a promising and rapid tool to determine the ascorbic acid content of intact acerola fruitengreponame:Repositório Institucional da UFRNinstname:Universidade Federal do Rio Grande do Norte (UFRN)instacron:UFRNORIGINALEstimationAscorbicAcid_HOSKIN_2019.pdfEstimationAscorbicAcid_HOSKIN_2019.pdfapplication/pdf965346https://repositorio.ufrn.br/bitstream/123456789/45378/1/EstimationAscorbicAcid_HOSKIN_2019.pdf5c59687ddd74f743465f188638ceb13dMD51CC-LICENSElicense_rdflicense_rdfapplication/rdf+xml; charset=utf-8914https://repositorio.ufrn.br/bitstream/123456789/45378/2/license_rdf4d2950bda3d176f570a9f8b328dfbbefMD52LICENSElicense.txtlicense.txttext/plain; charset=utf-81484https://repositorio.ufrn.br/bitstream/123456789/45378/3/license.txte9597aa2854d128fd968be5edc8a28d9MD53123456789/453782021-12-15 11:39:13.132oai:https://repositorio.ufrn.br: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Repositório de PublicaçõesPUBhttp://repositorio.ufrn.br/oai/opendoar:2021-12-15T14:39:13Repositório Institucional da UFRN - Universidade Federal do Rio Grande do Norte (UFRN)false |
dc.title.pt_BR.fl_str_mv |
Estimation of ascorbic acid in intact acerola (Malpighia emarginata DC) fruit by NIRS and chemometric analysis |
title |
Estimation of ascorbic acid in intact acerola (Malpighia emarginata DC) fruit by NIRS and chemometric analysis |
spellingShingle |
Estimation of ascorbic acid in intact acerola (Malpighia emarginata DC) fruit by NIRS and chemometric analysis Moraes, Francisca Pereira de Acerola NIRS PLS iPLS GA-PLS ascorbic acid |
title_short |
Estimation of ascorbic acid in intact acerola (Malpighia emarginata DC) fruit by NIRS and chemometric analysis |
title_full |
Estimation of ascorbic acid in intact acerola (Malpighia emarginata DC) fruit by NIRS and chemometric analysis |
title_fullStr |
Estimation of ascorbic acid in intact acerola (Malpighia emarginata DC) fruit by NIRS and chemometric analysis |
title_full_unstemmed |
Estimation of ascorbic acid in intact acerola (Malpighia emarginata DC) fruit by NIRS and chemometric analysis |
title_sort |
Estimation of ascorbic acid in intact acerola (Malpighia emarginata DC) fruit by NIRS and chemometric analysis |
author |
Moraes, Francisca Pereira de |
author_facet |
Moraes, Francisca Pereira de Costa, Rosangela Câmara Morais, Camilo de Lelis Medeiros de Medeiros, Fábio Gonçalves Macêdo de Fernandes, Tássia Rayane Nascimento Hoskin, Roberta Targino Lima, Kássio Michell Gomes de |
author_role |
author |
author2 |
Costa, Rosangela Câmara Morais, Camilo de Lelis Medeiros de Medeiros, Fábio Gonçalves Macêdo de Fernandes, Tássia Rayane Nascimento Hoskin, Roberta Targino Lima, Kássio Michell Gomes de |
author2_role |
author author author author author author |
dc.contributor.author.fl_str_mv |
Moraes, Francisca Pereira de Costa, Rosangela Câmara Morais, Camilo de Lelis Medeiros de Medeiros, Fábio Gonçalves Macêdo de Fernandes, Tássia Rayane Nascimento Hoskin, Roberta Targino Lima, Kássio Michell Gomes de |
dc.subject.por.fl_str_mv |
Acerola NIRS PLS iPLS GA-PLS ascorbic acid |
topic |
Acerola NIRS PLS iPLS GA-PLS ascorbic acid |
description |
Acerola fruit is one of the richest natural sources of ascorbic acid ever known. As a consequence, acerola fruit and its products are demanded worldwide for the production of health supplements and the development of functional products. However, the analytical determination of ascorbic acid is time-consuming and costly. In this study, we show a non-destructive, reliable, and fast method to measure the ascorbic acid content in intact acerola, using near-infrared spectroscopy (NIRS) associated with multivariate calibration methods. Models using variable selection by means of interval partial least squares (iPLS) and a genetic algorithm (GA) were tested. The best model for ascorbic acid content, based on the prediction performance, was the GA-PLS method with second derivative spectral pretreatment, with a root mean square error of cross-validation equal to 22.9 mg/100 g, root mean square error of prediction equal to 46.3 mg/100 g, ratio of prediction to deviation equal to 8.0, determination coefficient for calibration equal to 0.98 and determination coefficient for prediction equal to 0.96. The current methodology, using NIR spectroscopy and chemometrics, is a promising and rapid tool to determine the ascorbic acid content of intact acerola fruit |
publishDate |
2019 |
dc.date.issued.fl_str_mv |
2019 |
dc.date.accessioned.fl_str_mv |
2021-12-15T14:39:12Z |
dc.date.available.fl_str_mv |
2021-12-15T14:39:12Z |
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.citation.fl_str_mv |
MORAES, Francisca; COSTA, Rosangela; MORAIS, Camilo; MEDEIROS, Fábio; FERNANDES, Tássia; HOSKIN, Roberta ; LIMA, Kássio. Estimation of Ascorbic Acid in Intact Acerola (Malpighia emarginata DC) Fruit by NIRS and Chemometric Analysis. Horticulturae, v. 5, p. 12, 2019. Disponível em: https://www.mdpi.com/2311-7524/5/1/12. Acesso em: 04 nov. 2021. https://doi.org/10.3390/horticulturae5010012 |
dc.identifier.uri.fl_str_mv |
https://repositorio.ufrn.br/handle/123456789/45378 |
dc.identifier.issn.none.fl_str_mv |
2311-7524 |
dc.identifier.doi.none.fl_str_mv |
10.3390/horticulturae5010012 |
identifier_str_mv |
MORAES, Francisca; COSTA, Rosangela; MORAIS, Camilo; MEDEIROS, Fábio; FERNANDES, Tássia; HOSKIN, Roberta ; LIMA, Kássio. Estimation of Ascorbic Acid in Intact Acerola (Malpighia emarginata DC) Fruit by NIRS and Chemometric Analysis. Horticulturae, v. 5, p. 12, 2019. Disponível em: https://www.mdpi.com/2311-7524/5/1/12. Acesso em: 04 nov. 2021. https://doi.org/10.3390/horticulturae5010012 2311-7524 10.3390/horticulturae5010012 |
url |
https://repositorio.ufrn.br/handle/123456789/45378 |
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eng |
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eng |
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Attribution 3.0 Brazil http://creativecommons.org/licenses/by/3.0/br/ |
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MDPI |
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MDPI |
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