Multivariate calibration of Fourier transform infrared spectra for determining thiobarbituric acid-reactive substance content in palm oil

Fourier transform infrared (FTIR) spectra of palm oil samples between 2900 and 2800 cm-1 and 1800 and 1600 cm-1 were used to compare different multivariate calibration techniques for quantitative determination of their thiobarbituric acid-reactive substance (TBARS) content. Fifty spectra (in duplica...

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Main Authors: Mirghani, M.E.S., Che Man, Y. B., Jinap, S., Baharin, B.S.
Format: Article
Language:English
Published: American Oil Chemists' Society 2001
Online Access:http://psasir.upm.edu.my/id/eprint/114816/1/114816.pdf
http://psasir.upm.edu.my/id/eprint/114816/
https://aocs.onlinelibrary.wiley.com/doi/10.1007/s11746-001-0400-2
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spelling my.upm.eprints.1148162025-02-03T04:39:32Z http://psasir.upm.edu.my/id/eprint/114816/ Multivariate calibration of Fourier transform infrared spectra for determining thiobarbituric acid-reactive substance content in palm oil Mirghani, M.E.S. Che Man, Y. B. Jinap, S. Baharin, B.S. Fourier transform infrared (FTIR) spectra of palm oil samples between 2900 and 2800 cm-1 and 1800 and 1600 cm-1 were used to compare different multivariate calibration techniques for quantitative determination of their thiobarbituric acid-reactive substance (TBARS) content. Fifty spectra (in duplicate) of palm oil with TBARS values between 0 and 0.25 were used to calibrate models based on partial least squares (PLS) and principal components regression (PCR) analyses with different baselines. The methods were compared for the number of factors, coefficients of determination (R2), and accuracy of estimation. The standard errors of prediction (SEP) were calculated to compare their predictive ability. The calibrated models generated three to eight factors, R2 of 0.9414 to 0.9803, standard error of estimation (SEE) of 0.0063 to 0.0680, and SEP of 1.20 to 6.67. American Oil Chemists' Society 2001 Article PeerReviewed text en http://psasir.upm.edu.my/id/eprint/114816/1/114816.pdf Mirghani, M.E.S. and Che Man, Y. B. and Jinap, S. and Baharin, B.S. (2001) Multivariate calibration of Fourier transform infrared spectra for determining thiobarbituric acid-reactive substance content in palm oil. JAOCS, Journal of the American Oil Chemists' Society, 78 (11). pp. 1127-1131. ISSN 0003-021X; eISSN: 0003-021X https://aocs.onlinelibrary.wiley.com/doi/10.1007/s11746-001-0400-2 10.1007/s11746-001-0400-2
institution Universiti Putra Malaysia
building UPM Library
collection Institutional Repository
continent Asia
country Malaysia
content_provider Universiti Putra Malaysia
content_source UPM Institutional Repository
url_provider http://psasir.upm.edu.my/
language English
description Fourier transform infrared (FTIR) spectra of palm oil samples between 2900 and 2800 cm-1 and 1800 and 1600 cm-1 were used to compare different multivariate calibration techniques for quantitative determination of their thiobarbituric acid-reactive substance (TBARS) content. Fifty spectra (in duplicate) of palm oil with TBARS values between 0 and 0.25 were used to calibrate models based on partial least squares (PLS) and principal components regression (PCR) analyses with different baselines. The methods were compared for the number of factors, coefficients of determination (R2), and accuracy of estimation. The standard errors of prediction (SEP) were calculated to compare their predictive ability. The calibrated models generated three to eight factors, R2 of 0.9414 to 0.9803, standard error of estimation (SEE) of 0.0063 to 0.0680, and SEP of 1.20 to 6.67.
format Article
author Mirghani, M.E.S.
Che Man, Y. B.
Jinap, S.
Baharin, B.S.
spellingShingle Mirghani, M.E.S.
Che Man, Y. B.
Jinap, S.
Baharin, B.S.
Multivariate calibration of Fourier transform infrared spectra for determining thiobarbituric acid-reactive substance content in palm oil
author_facet Mirghani, M.E.S.
Che Man, Y. B.
Jinap, S.
Baharin, B.S.
author_sort Mirghani, M.E.S.
title Multivariate calibration of Fourier transform infrared spectra for determining thiobarbituric acid-reactive substance content in palm oil
title_short Multivariate calibration of Fourier transform infrared spectra for determining thiobarbituric acid-reactive substance content in palm oil
title_full Multivariate calibration of Fourier transform infrared spectra for determining thiobarbituric acid-reactive substance content in palm oil
title_fullStr Multivariate calibration of Fourier transform infrared spectra for determining thiobarbituric acid-reactive substance content in palm oil
title_full_unstemmed Multivariate calibration of Fourier transform infrared spectra for determining thiobarbituric acid-reactive substance content in palm oil
title_sort multivariate calibration of fourier transform infrared spectra for determining thiobarbituric acid-reactive substance content in palm oil
publisher American Oil Chemists' Society
publishDate 2001
url http://psasir.upm.edu.my/id/eprint/114816/1/114816.pdf
http://psasir.upm.edu.my/id/eprint/114816/
https://aocs.onlinelibrary.wiley.com/doi/10.1007/s11746-001-0400-2
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score 13.235362