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Determination of the Degree of Degradation of Frying Rapeseed Oil Using Fourier-Transform Infrared Spectroscopy Combined with Partial Least-Squares Regression

This rapid method for determining the degree of degradation of frying rapeseed oils uses Fourier-transform infrared (FTIR) spectroscopy combined with partial least-squares (PLS) regression. One hundred and fifty-six frying oil samples that degraded to different degrees by frying potatoes were scanne...

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Autores principales: Chen, Jie Yu, Zhang, Han, Ma, Jinkui, Tuchiya, Tomohiro, Miao, Yelian
Formato: Online Artículo Texto
Lenguaje:English
Publicado: Hindawi Publishing Corporation 2015
Materias:
Acceso en línea:https://www.ncbi.nlm.nih.gov/pmc/articles/PMC4353439/
https://www.ncbi.nlm.nih.gov/pubmed/25802523
http://dx.doi.org/10.1155/2015/185367
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author Chen, Jie Yu
Zhang, Han
Ma, Jinkui
Tuchiya, Tomohiro
Miao, Yelian
author_facet Chen, Jie Yu
Zhang, Han
Ma, Jinkui
Tuchiya, Tomohiro
Miao, Yelian
author_sort Chen, Jie Yu
collection PubMed
description This rapid method for determining the degree of degradation of frying rapeseed oils uses Fourier-transform infrared (FTIR) spectroscopy combined with partial least-squares (PLS) regression. One hundred and fifty-six frying oil samples that degraded to different degrees by frying potatoes were scanned by an FTIR spectrometer using attenuated total reflectance (ATR). PLS regression with full cross validation was used for the prediction of acid value (AV) and total polar compounds (TPC) based on raw, first, and second derivative FTIR spectra (4000–650 cm(−1)). The precise calibration model based on the second derivative FTIR spectra shows that the coefficients of determination for calibration (R (2)) and standard errors of cross validation (SECV) were 0.99 and 0.16 mg KOH/g and 0.98 and 1.17% for AV and TPC, respectively. The accuracy of the calibration model, tested using the validation set, yielded standard errors of prediction (SEP) of 0.16 mg KOH/g and 1.10% for AV and TPC, respectively. Therefore, the degradation of frying oils can be accurately measured using FTIR spectroscopy combined with PLS regression.
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spelling pubmed-43534392015-03-23 Determination of the Degree of Degradation of Frying Rapeseed Oil Using Fourier-Transform Infrared Spectroscopy Combined with Partial Least-Squares Regression Chen, Jie Yu Zhang, Han Ma, Jinkui Tuchiya, Tomohiro Miao, Yelian Int J Anal Chem Research Article This rapid method for determining the degree of degradation of frying rapeseed oils uses Fourier-transform infrared (FTIR) spectroscopy combined with partial least-squares (PLS) regression. One hundred and fifty-six frying oil samples that degraded to different degrees by frying potatoes were scanned by an FTIR spectrometer using attenuated total reflectance (ATR). PLS regression with full cross validation was used for the prediction of acid value (AV) and total polar compounds (TPC) based on raw, first, and second derivative FTIR spectra (4000–650 cm(−1)). The precise calibration model based on the second derivative FTIR spectra shows that the coefficients of determination for calibration (R (2)) and standard errors of cross validation (SECV) were 0.99 and 0.16 mg KOH/g and 0.98 and 1.17% for AV and TPC, respectively. The accuracy of the calibration model, tested using the validation set, yielded standard errors of prediction (SEP) of 0.16 mg KOH/g and 1.10% for AV and TPC, respectively. Therefore, the degradation of frying oils can be accurately measured using FTIR spectroscopy combined with PLS regression. Hindawi Publishing Corporation 2015 2015-02-23 /pmc/articles/PMC4353439/ /pubmed/25802523 http://dx.doi.org/10.1155/2015/185367 Text en Copyright © 2015 Jie Yu Chen et al. https://creativecommons.org/licenses/by/3.0/ This is an open access article distributed under the Creative Commons Attribution License, which permits unrestricted use, distribution, and reproduction in any medium, provided the original work is properly cited.
spellingShingle Research Article
Chen, Jie Yu
Zhang, Han
Ma, Jinkui
Tuchiya, Tomohiro
Miao, Yelian
Determination of the Degree of Degradation of Frying Rapeseed Oil Using Fourier-Transform Infrared Spectroscopy Combined with Partial Least-Squares Regression
title Determination of the Degree of Degradation of Frying Rapeseed Oil Using Fourier-Transform Infrared Spectroscopy Combined with Partial Least-Squares Regression
title_full Determination of the Degree of Degradation of Frying Rapeseed Oil Using Fourier-Transform Infrared Spectroscopy Combined with Partial Least-Squares Regression
title_fullStr Determination of the Degree of Degradation of Frying Rapeseed Oil Using Fourier-Transform Infrared Spectroscopy Combined with Partial Least-Squares Regression
title_full_unstemmed Determination of the Degree of Degradation of Frying Rapeseed Oil Using Fourier-Transform Infrared Spectroscopy Combined with Partial Least-Squares Regression
title_short Determination of the Degree of Degradation of Frying Rapeseed Oil Using Fourier-Transform Infrared Spectroscopy Combined with Partial Least-Squares Regression
title_sort determination of the degree of degradation of frying rapeseed oil using fourier-transform infrared spectroscopy combined with partial least-squares regression
topic Research Article
url https://www.ncbi.nlm.nih.gov/pmc/articles/PMC4353439/
https://www.ncbi.nlm.nih.gov/pubmed/25802523
http://dx.doi.org/10.1155/2015/185367
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