Evaluation of quality parameters of apple juices using near-infrared spectroscopy and chemometrics
Autor(a) principal: | |
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Data de Publicação: | 2018 |
Outros Autores: | , |
Tipo de documento: | Artigo |
Idioma: | eng |
Título da fonte: | Repositório Científico de Acesso Aberto de Portugal (Repositórios Cientìficos) |
Texto Completo: | http://hdl.handle.net/10400.1/11963 |
Resumo: | Near-infrared (NIR) spectra were recorded for commercial apple juices. Analysis of these spectra using partial least squares (PLS) regression revealed quantitative relations between the spectra and quality- and taste-related properties of juices: soluble solids content (SSC), titratable acidity (TA), and the ratio of soluble solids content to titratable acidity (SSC/TA). Various spectral preprocessing methods were used for model optimization. The optimal spectral variables were chosen using the jack-knife-based method and different variants of the interval PLS (iPLS) method. The models were cross-validated and evaluated based on the determination coefficients (R-2), root-mean-square error of cross-validation (RMSECV), and relative error (RE). The best model for the prediction of SSC (R-2 = 0.881, RMSECV = 0.277 degrees Brix, and RE = 2.37%) was obtained for the first-derivative preprocessed spectra and jack-knife variable selection. The optimal model for TA (R-2 = 0.761, RMSECV = 0.239 g/L, and RE = 4.55%) was obtained for smoothed spectra in the range of 6224-5350 cm(-1). The best model for the SSC/TA (R-2 = 0.843, RMSECV = 0.113, and RE = 5.04%) was obtained for the spectra without preprocessing in the range of 6224-5350 cm(-1). The present results show the potential of the NIR spectroscopy for screening the important quality parameters of apple juices. |
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Evaluation of quality parameters of apple juices using near-infrared spectroscopy and chemometricsSoluble solids contentFt-nir spectroscopyLeast-squares regressionReflectance spectroscopyVariable selectionFourier-TransformFruitModelsFoodBeveragesNear-infrared (NIR) spectra were recorded for commercial apple juices. Analysis of these spectra using partial least squares (PLS) regression revealed quantitative relations between the spectra and quality- and taste-related properties of juices: soluble solids content (SSC), titratable acidity (TA), and the ratio of soluble solids content to titratable acidity (SSC/TA). Various spectral preprocessing methods were used for model optimization. The optimal spectral variables were chosen using the jack-knife-based method and different variants of the interval PLS (iPLS) method. The models were cross-validated and evaluated based on the determination coefficients (R-2), root-mean-square error of cross-validation (RMSECV), and relative error (RE). The best model for the prediction of SSC (R-2 = 0.881, RMSECV = 0.277 degrees Brix, and RE = 2.37%) was obtained for the first-derivative preprocessed spectra and jack-knife variable selection. The optimal model for TA (R-2 = 0.761, RMSECV = 0.239 g/L, and RE = 4.55%) was obtained for smoothed spectra in the range of 6224-5350 cm(-1). The best model for the SSC/TA (R-2 = 0.843, RMSECV = 0.113, and RE = 5.04%) was obtained for the spectra without preprocessing in the range of 6224-5350 cm(-1). The present results show the potential of the NIR spectroscopy for screening the important quality parameters of apple juices.National Science Centre, Poland [2016/23/B/NZ9/03591]Hindawi Publishing CorporationSapientiaWlodarska, KatarzynaKhmelinskii, IgorSikorska, Ewa2018-12-07T14:58:19Z20182018-01-01T00:00:00Zinfo:eu-repo/semantics/publishedVersioninfo:eu-repo/semantics/articleapplication/pdfhttp://hdl.handle.net/10400.1/11963eng2314-492010.1155/2018/5191283info:eu-repo/semantics/openAccessreponame:Repositório Científico de Acesso Aberto de Portugal (Repositórios Cientìficos)instname:Agência para a Sociedade do Conhecimento (UMIC) - FCT - Sociedade da Informaçãoinstacron:RCAAP2023-07-24T10:23:52Zoai:sapientia.ualg.pt:10400.1/11963Portal AgregadorONGhttps://www.rcaap.pt/oai/openaireopendoar:71602024-03-19T20:03:23.784191Repositório Científico de Acesso Aberto de Portugal (Repositórios Cientìficos) - Agência para a Sociedade do Conhecimento (UMIC) - FCT - Sociedade da Informaçãofalse |
dc.title.none.fl_str_mv |
Evaluation of quality parameters of apple juices using near-infrared spectroscopy and chemometrics |
title |
Evaluation of quality parameters of apple juices using near-infrared spectroscopy and chemometrics |
spellingShingle |
Evaluation of quality parameters of apple juices using near-infrared spectroscopy and chemometrics Wlodarska, Katarzyna Soluble solids content Ft-nir spectroscopy Least-squares regression Reflectance spectroscopy Variable selection Fourier-Transform Fruit Models Food Beverages |
title_short |
Evaluation of quality parameters of apple juices using near-infrared spectroscopy and chemometrics |
title_full |
Evaluation of quality parameters of apple juices using near-infrared spectroscopy and chemometrics |
title_fullStr |
Evaluation of quality parameters of apple juices using near-infrared spectroscopy and chemometrics |
title_full_unstemmed |
Evaluation of quality parameters of apple juices using near-infrared spectroscopy and chemometrics |
title_sort |
Evaluation of quality parameters of apple juices using near-infrared spectroscopy and chemometrics |
author |
Wlodarska, Katarzyna |
author_facet |
Wlodarska, Katarzyna Khmelinskii, Igor Sikorska, Ewa |
author_role |
author |
author2 |
Khmelinskii, Igor Sikorska, Ewa |
author2_role |
author author |
dc.contributor.none.fl_str_mv |
Sapientia |
dc.contributor.author.fl_str_mv |
Wlodarska, Katarzyna Khmelinskii, Igor Sikorska, Ewa |
dc.subject.por.fl_str_mv |
Soluble solids content Ft-nir spectroscopy Least-squares regression Reflectance spectroscopy Variable selection Fourier-Transform Fruit Models Food Beverages |
topic |
Soluble solids content Ft-nir spectroscopy Least-squares regression Reflectance spectroscopy Variable selection Fourier-Transform Fruit Models Food Beverages |
description |
Near-infrared (NIR) spectra were recorded for commercial apple juices. Analysis of these spectra using partial least squares (PLS) regression revealed quantitative relations between the spectra and quality- and taste-related properties of juices: soluble solids content (SSC), titratable acidity (TA), and the ratio of soluble solids content to titratable acidity (SSC/TA). Various spectral preprocessing methods were used for model optimization. The optimal spectral variables were chosen using the jack-knife-based method and different variants of the interval PLS (iPLS) method. The models were cross-validated and evaluated based on the determination coefficients (R-2), root-mean-square error of cross-validation (RMSECV), and relative error (RE). The best model for the prediction of SSC (R-2 = 0.881, RMSECV = 0.277 degrees Brix, and RE = 2.37%) was obtained for the first-derivative preprocessed spectra and jack-knife variable selection. The optimal model for TA (R-2 = 0.761, RMSECV = 0.239 g/L, and RE = 4.55%) was obtained for smoothed spectra in the range of 6224-5350 cm(-1). The best model for the SSC/TA (R-2 = 0.843, RMSECV = 0.113, and RE = 5.04%) was obtained for the spectra without preprocessing in the range of 6224-5350 cm(-1). The present results show the potential of the NIR spectroscopy for screening the important quality parameters of apple juices. |
publishDate |
2018 |
dc.date.none.fl_str_mv |
2018-12-07T14:58:19Z 2018 2018-01-01T00:00:00Z |
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.uri.fl_str_mv |
http://hdl.handle.net/10400.1/11963 |
url |
http://hdl.handle.net/10400.1/11963 |
dc.language.iso.fl_str_mv |
eng |
language |
eng |
dc.relation.none.fl_str_mv |
2314-4920 10.1155/2018/5191283 |
dc.rights.driver.fl_str_mv |
info:eu-repo/semantics/openAccess |
eu_rights_str_mv |
openAccess |
dc.format.none.fl_str_mv |
application/pdf |
dc.publisher.none.fl_str_mv |
Hindawi Publishing Corporation |
publisher.none.fl_str_mv |
Hindawi Publishing Corporation |
dc.source.none.fl_str_mv |
reponame:Repositório Científico de Acesso Aberto de Portugal (Repositórios Cientìficos) instname:Agência para a Sociedade do Conhecimento (UMIC) - FCT - Sociedade da Informação instacron:RCAAP |
instname_str |
Agência para a Sociedade do Conhecimento (UMIC) - FCT - Sociedade da Informação |
instacron_str |
RCAAP |
institution |
RCAAP |
reponame_str |
Repositório Científico de Acesso Aberto de Portugal (Repositórios Cientìficos) |
collection |
Repositório Científico de Acesso Aberto de Portugal (Repositórios Cientìficos) |
repository.name.fl_str_mv |
Repositório Científico de Acesso Aberto de Portugal (Repositórios Cientìficos) - Agência para a Sociedade do Conhecimento (UMIC) - FCT - Sociedade da Informação |
repository.mail.fl_str_mv |
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1799133268033929216 |