Determination of the energetic value of fruit and milk-based beverages through partial-least-squares attenuated total reflectance-Fourier transform infrared spectrometry
The estimation of important nutritional parameters, such as carbohydrates content and energetic value (calories) in commercially available fruit juice and flavour milk shakes has been made by attenuated total reflectance-Fourier transform infrared spectroscopy (ATR-FTIR) using a partial-least-square...
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2005
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| Acceso en línea: | https://bibliotecadigital.exactas.uba.ar/collection/paper/document/paper_00032670_v538_n1-2_p181_Moros http://hdl.handle.net/20.500.12110/paper_00032670_v538_n1-2_p181_Moros |
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paper:paper_00032670_v538_n1-2_p181_Moros2023-06-08T14:23:59Z Determination of the energetic value of fruit and milk-based beverages through partial-least-squares attenuated total reflectance-Fourier transform infrared spectrometry Attenuated total reflectance Carbohydrates determination Fruit juice Hierarchical cluster analysis Infrared Milk Milk shake Partial-least-squares Attenuation Beverages Carbohydrates Fourier transform infrared spectroscopy Least squares approximations Marketing Reflection Energetic value Partial-least-squares (PLS) Root-mean-square error of prediction (RMSEP) Standard deviation Fruits analytical error article beverage calibration carbohydrate analysis cluster analysis data analysis energy food analysis food and drug administration fruit infrared spectroscopy methodology milk prediction priority journal reflectometry reproducibility sampling standard validation process Attenuated Total Reflection Attenuation Beverages Carbohydrates Fruits Marketing Reflection The estimation of important nutritional parameters, such as carbohydrates content and energetic value (calories) in commercially available fruit juice and flavour milk shakes has been made by attenuated total reflectance-Fourier transform infrared spectroscopy (ATR-FTIR) using a partial-least-square (PLS) calibration approach. A highly heterogeneous population of 65 samples obtained from the Spanish market, covering fruit juices, flavour milk shakes and milk-added fruit juices was used. The spectral range and the size of the calibration set for building the PLS model have been evaluated. Considering a calibration set comprised of 27 samples, selected via hierarchical cluster analysis, and a validation data set of 38 samples, the absolute mean difference (dx-y) and standard deviation of mean differences (sx-y) of the total carbohydrate content were 0.06 and 0.66 g/100 mL, respectively. The reproducibility of this determination established as the mean standard deviation of each triplicate analysis was 0.05 g/100 mL. In the case of energetic value, the dx-y and sx-y were 2.8 and 18 kJ/100 mL, respectively. The reproducibility of this determination corresponded to a standard deviation of 2.4 kJ/100 mL, for three replicate analyses. The root-mean-square error of prediction (RMSEP) was 18.4 kJ/100 mL and 0.72 g/100 mL for energetic value and total carbohydrates, respectively. The developed methodology favourably compares with that reported in previous works in much restricted sample composition and provided figures of merit which agree with the US-FDA statuary tolerance values. © 2005 Elsevier B.V. All rights reserved. 2005 https://bibliotecadigital.exactas.uba.ar/collection/paper/document/paper_00032670_v538_n1-2_p181_Moros http://hdl.handle.net/20.500.12110/paper_00032670_v538_n1-2_p181_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 Carbohydrates determination Fruit juice Hierarchical cluster analysis Infrared Milk Milk shake Partial-least-squares Attenuation Beverages Carbohydrates Fourier transform infrared spectroscopy Least squares approximations Marketing Reflection Energetic value Partial-least-squares (PLS) Root-mean-square error of prediction (RMSEP) Standard deviation Fruits analytical error article beverage calibration carbohydrate analysis cluster analysis data analysis energy food analysis food and drug administration fruit infrared spectroscopy methodology milk prediction priority journal reflectometry reproducibility sampling standard validation process Attenuated Total Reflection Attenuation Beverages Carbohydrates Fruits Marketing Reflection |
| spellingShingle |
Attenuated total reflectance Carbohydrates determination Fruit juice Hierarchical cluster analysis Infrared Milk Milk shake Partial-least-squares Attenuation Beverages Carbohydrates Fourier transform infrared spectroscopy Least squares approximations Marketing Reflection Energetic value Partial-least-squares (PLS) Root-mean-square error of prediction (RMSEP) Standard deviation Fruits analytical error article beverage calibration carbohydrate analysis cluster analysis data analysis energy food analysis food and drug administration fruit infrared spectroscopy methodology milk prediction priority journal reflectometry reproducibility sampling standard validation process Attenuated Total Reflection Attenuation Beverages Carbohydrates Fruits Marketing Reflection Determination of the energetic value of fruit and milk-based beverages through partial-least-squares attenuated total reflectance-Fourier transform infrared spectrometry |
| topic_facet |
Attenuated total reflectance Carbohydrates determination Fruit juice Hierarchical cluster analysis Infrared Milk Milk shake Partial-least-squares Attenuation Beverages Carbohydrates Fourier transform infrared spectroscopy Least squares approximations Marketing Reflection Energetic value Partial-least-squares (PLS) Root-mean-square error of prediction (RMSEP) Standard deviation Fruits analytical error article beverage calibration carbohydrate analysis cluster analysis data analysis energy food analysis food and drug administration fruit infrared spectroscopy methodology milk prediction priority journal reflectometry reproducibility sampling standard validation process Attenuated Total Reflection Attenuation Beverages Carbohydrates Fruits Marketing Reflection |
| description |
The estimation of important nutritional parameters, such as carbohydrates content and energetic value (calories) in commercially available fruit juice and flavour milk shakes has been made by attenuated total reflectance-Fourier transform infrared spectroscopy (ATR-FTIR) using a partial-least-square (PLS) calibration approach. A highly heterogeneous population of 65 samples obtained from the Spanish market, covering fruit juices, flavour milk shakes and milk-added fruit juices was used. The spectral range and the size of the calibration set for building the PLS model have been evaluated. Considering a calibration set comprised of 27 samples, selected via hierarchical cluster analysis, and a validation data set of 38 samples, the absolute mean difference (dx-y) and standard deviation of mean differences (sx-y) of the total carbohydrate content were 0.06 and 0.66 g/100 mL, respectively. The reproducibility of this determination established as the mean standard deviation of each triplicate analysis was 0.05 g/100 mL. In the case of energetic value, the dx-y and sx-y were 2.8 and 18 kJ/100 mL, respectively. The reproducibility of this determination corresponded to a standard deviation of 2.4 kJ/100 mL, for three replicate analyses. The root-mean-square error of prediction (RMSEP) was 18.4 kJ/100 mL and 0.72 g/100 mL for energetic value and total carbohydrates, respectively. The developed methodology favourably compares with that reported in previous works in much restricted sample composition and provided figures of merit which agree with the US-FDA statuary tolerance values. © 2005 Elsevier B.V. All rights reserved. |
| title |
Determination of the energetic value of fruit and milk-based beverages through partial-least-squares attenuated total reflectance-Fourier transform infrared spectrometry |
| title_short |
Determination of the energetic value of fruit and milk-based beverages through partial-least-squares attenuated total reflectance-Fourier transform infrared spectrometry |
| title_full |
Determination of the energetic value of fruit and milk-based beverages through partial-least-squares attenuated total reflectance-Fourier transform infrared spectrometry |
| title_fullStr |
Determination of the energetic value of fruit and milk-based beverages through partial-least-squares attenuated total reflectance-Fourier transform infrared spectrometry |
| title_full_unstemmed |
Determination of the energetic value of fruit and milk-based beverages through partial-least-squares attenuated total reflectance-Fourier transform infrared spectrometry |
| title_sort |
determination of the energetic value of fruit and milk-based beverages through partial-least-squares attenuated total reflectance-fourier transform infrared spectrometry |
| publishDate |
2005 |
| url |
https://bibliotecadigital.exactas.uba.ar/collection/paper/document/paper_00032670_v538_n1-2_p181_Moros http://hdl.handle.net/20.500.12110/paper_00032670_v538_n1-2_p181_Moros |
| _version_ |
1768544204686884864 |