Evaluation of the application of attenuated total reflectance-Fourier transform infrared spectrometry (ATR-FTIR) and chemometrics to the determination of nutritional parameters of yogurt samples
A critical evaluation of the application of attenuated total reflectance-Fourier transform infrared spectroscopy (ATR-FTIR) and partial least squares (PLS) to the determination of several nutritional parameters, such as the energetic value and the carbohydrate, protein and calcium contents, in comme...
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todo:paper_16182642_v385_n4_p708_Moros2023-10-03T16:28:30Z Evaluation of the application of attenuated total reflectance-Fourier transform infrared spectrometry (ATR-FTIR) and chemometrics to the determination of nutritional parameters of yogurt samples Moros, J. Iñón, F.A. Khanmohammadi, M. Garrigues, S. De La Guardia, M. Attenuated total reflectance Calories Carbohydrates Fat Hierarchical cluster analysis Infrared PLS Protein Yogurt Attenuated total reflectance Calories Fat Hierarchical cluster analysis Partial least squares (PLS) Yogurt Calcium compounds Carbohydrates Fourier transform infrared spectroscopy Mathematical models Nutrition Proteins Food products calcium carbohydrate fat protein yoghurt article calibration chemistry classification infrared spectroscopy methodology Calcium Calibration Carbohydrates Fats Proteins Spectroscopy, Fourier Transform Infrared Yogurt A critical evaluation of the application of attenuated total reflectance-Fourier transform infrared spectroscopy (ATR-FTIR) and partial least squares (PLS) to the determination of several nutritional parameters, such as the energetic value and the carbohydrate, protein and calcium contents, in commercially available yogurt samples was carried out. To this end, a highly heterogeneous population of 48 samples covering a wide range of yogurts obtained from the Spanish market was used. After correcting the spectra, hierarchical cluster analysis was performed in order to select a representative calibration set and the corresponding validation sample set. Different PLS models and several spectral windows were tested in order to evaluate their prediction capabilities for the validation set. For all nutritional parameters, with the exception of fat content, the procedure developed here provided good precision; the values obtained complied with the statutory values declared by the US FDA. JOUR info:eu-repo/semantics/openAccess http://creativecommons.org/licenses/by/2.5/ar http://hdl.handle.net/20.500.12110/paper_16182642_v385_n4_p708_Moros |
institution |
Universidad de Buenos Aires |
institution_str |
I-28 |
repository_str |
R-134 |
collection |
Biblioteca Digital - Facultad de Ciencias Exactas y Naturales (UBA) |
topic |
Attenuated total reflectance Calories Carbohydrates Fat Hierarchical cluster analysis Infrared PLS Protein Yogurt Attenuated total reflectance Calories Fat Hierarchical cluster analysis Partial least squares (PLS) Yogurt Calcium compounds Carbohydrates Fourier transform infrared spectroscopy Mathematical models Nutrition Proteins Food products calcium carbohydrate fat protein yoghurt article calibration chemistry classification infrared spectroscopy methodology Calcium Calibration Carbohydrates Fats Proteins Spectroscopy, Fourier Transform Infrared Yogurt |
spellingShingle |
Attenuated total reflectance Calories Carbohydrates Fat Hierarchical cluster analysis Infrared PLS Protein Yogurt Attenuated total reflectance Calories Fat Hierarchical cluster analysis Partial least squares (PLS) Yogurt Calcium compounds Carbohydrates Fourier transform infrared spectroscopy Mathematical models Nutrition Proteins Food products calcium carbohydrate fat protein yoghurt article calibration chemistry classification infrared spectroscopy methodology Calcium Calibration Carbohydrates Fats Proteins Spectroscopy, Fourier Transform Infrared Yogurt Moros, J. Iñón, F.A. Khanmohammadi, M. Garrigues, S. De La Guardia, M. Evaluation of the application of attenuated total reflectance-Fourier transform infrared spectrometry (ATR-FTIR) and chemometrics to the determination of nutritional parameters of yogurt samples |
topic_facet |
Attenuated total reflectance Calories Carbohydrates Fat Hierarchical cluster analysis Infrared PLS Protein Yogurt Attenuated total reflectance Calories Fat Hierarchical cluster analysis Partial least squares (PLS) Yogurt Calcium compounds Carbohydrates Fourier transform infrared spectroscopy Mathematical models Nutrition Proteins Food products calcium carbohydrate fat protein yoghurt article calibration chemistry classification infrared spectroscopy methodology Calcium Calibration Carbohydrates Fats Proteins Spectroscopy, Fourier Transform Infrared Yogurt |
description |
A critical evaluation of the application of attenuated total reflectance-Fourier transform infrared spectroscopy (ATR-FTIR) and partial least squares (PLS) to the determination of several nutritional parameters, such as the energetic value and the carbohydrate, protein and calcium contents, in commercially available yogurt samples was carried out. To this end, a highly heterogeneous population of 48 samples covering a wide range of yogurts obtained from the Spanish market was used. After correcting the spectra, hierarchical cluster analysis was performed in order to select a representative calibration set and the corresponding validation sample set. Different PLS models and several spectral windows were tested in order to evaluate their prediction capabilities for the validation set. For all nutritional parameters, with the exception of fat content, the procedure developed here provided good precision; the values obtained complied with the statutory values declared by the US FDA. |
format |
JOUR |
author |
Moros, J. Iñón, F.A. Khanmohammadi, M. Garrigues, S. De La Guardia, M. |
author_facet |
Moros, J. Iñón, F.A. Khanmohammadi, M. Garrigues, S. De La Guardia, M. |
author_sort |
Moros, J. |
title |
Evaluation of the application of attenuated total reflectance-Fourier transform infrared spectrometry (ATR-FTIR) and chemometrics to the determination of nutritional parameters of yogurt samples |
title_short |
Evaluation of the application of attenuated total reflectance-Fourier transform infrared spectrometry (ATR-FTIR) and chemometrics to the determination of nutritional parameters of yogurt samples |
title_full |
Evaluation of the application of attenuated total reflectance-Fourier transform infrared spectrometry (ATR-FTIR) and chemometrics to the determination of nutritional parameters of yogurt samples |
title_fullStr |
Evaluation of the application of attenuated total reflectance-Fourier transform infrared spectrometry (ATR-FTIR) and chemometrics to the determination of nutritional parameters of yogurt samples |
title_full_unstemmed |
Evaluation of the application of attenuated total reflectance-Fourier transform infrared spectrometry (ATR-FTIR) and chemometrics to the determination of nutritional parameters of yogurt samples |
title_sort |
evaluation of the application of attenuated total reflectance-fourier transform infrared spectrometry (atr-ftir) and chemometrics to the determination of nutritional parameters of yogurt samples |
url |
http://hdl.handle.net/20.500.12110/paper_16182642_v385_n4_p708_Moros |
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