FTIR-ATR Spectroscopy Combined with Multivariate Regression Modeling as a Preliminary Approach for Carotenoids Determination in <i>Cucurbita</i> spp.
Quantitative analysis of carotenoids has been extensively reported using UV-Vis spectrophotometry and chromatography, instrumental techniques that require complex extraction protocols with organic solvents. Fourier transform infrared spectroscopy (FTIR) is a potential alternative for simplifying the...
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MDPI AG
2020-05-01
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| Series: | Applied Sciences |
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| Online Access: | https://www.mdpi.com/2076-3417/10/11/3722 |
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| author | Natalia Quijano-Ortega Carlos Alberto Fuenmayor Carlos Zuluaga-Dominguez Consuelo Diaz-Moreno Sanín Ortiz-Grisales Maribel García-Mahecha Silvia Grassi |
| author_facet | Natalia Quijano-Ortega Carlos Alberto Fuenmayor Carlos Zuluaga-Dominguez Consuelo Diaz-Moreno Sanín Ortiz-Grisales Maribel García-Mahecha Silvia Grassi |
| author_sort | Natalia Quijano-Ortega |
| collection | DOAJ |
| description | Quantitative analysis of carotenoids has been extensively reported using UV-Vis spectrophotometry and chromatography, instrumental techniques that require complex extraction protocols with organic solvents. Fourier transform infrared spectroscopy (FTIR) is a potential alternative for simplifying the analysis of food constituents. In this work, the application of FTIR with attenuated total reflectance (ATR) was evaluated for the determination of total carotenoid content (TCC) in <i>Cucurbita</i> spp. samples. Sixty-three samples, belonging to different cultivars of butternut squash (<i>C. moschata</i>) and pumpkin (<i>C. maxima</i>), were selected and analyzed with FTIR- ATR (attenuated total reflectance). Three different preparation protocols for samples were followed: homogenization (A), freeze-drying (B), and solvent extraction (C). The recorded spectra were used to develop regression models by Partial Least Squares (PLS), using data from TCC, determined by UV-Vis spectrophotometry. The PLS regression model obtained with the FTIR data from the freeze-dried samples, using the spectral range 920–3000 cm<sup>−1</sup>, had the best figures of merit (R<sup>2</sup><sub>CAL</sub> of 0.95, R<sup>2</sup><sub>PRED</sub> of 0.93 and RPD of 3.78), being reliable for future application in agriculture. This approach for carotenoid determination in pumpkin and squash avoids the use of organic solvents. Moreover, these results are a rationale for further exploring this technique for the assessment of specific carotenoids in food matrices. |
| first_indexed | 2024-03-10T19:32:59Z |
| format | Article |
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| institution | Directory Open Access Journal |
| issn | 2076-3417 |
| language | English |
| last_indexed | 2024-03-10T19:32:59Z |
| publishDate | 2020-05-01 |
| publisher | MDPI AG |
| record_format | Article |
| series | Applied Sciences |
| spelling | doaj.art-b94027bd673b4d5cb200da4f641207782023-11-20T01:58:02ZengMDPI AGApplied Sciences2076-34172020-05-011011372210.3390/app10113722FTIR-ATR Spectroscopy Combined with Multivariate Regression Modeling as a Preliminary Approach for Carotenoids Determination in <i>Cucurbita</i> spp.Natalia Quijano-Ortega0Carlos Alberto Fuenmayor1Carlos Zuluaga-Dominguez2Consuelo Diaz-Moreno3Sanín Ortiz-Grisales4Maribel García-Mahecha5Silvia Grassi6Institute of Food Science and Technology (ICTA), Universidad Nacional de Colombia, sede Bogotá, Avenida Carrera. 30 # 45–03, ed. 500C, Bogotá, DC 111321, ColombiaInstitute of Food Science and Technology (ICTA), Universidad Nacional de Colombia, sede Bogotá, Avenida Carrera. 30 # 45–03, ed. 500C, Bogotá, DC 111321, ColombiaDepartamento de Desarrollo Rural y Agroalimentario, Universidad Nacional de Colombia, sede Bogotá, Avenida Carrera. 30 # 45–03, ed. 500C, Bogotá, DC 111321, ColombiaInstitute of Food Science and Technology (ICTA), Universidad Nacional de Colombia, sede Bogotá, Avenida Carrera. 30 # 45–03, ed. 500C, Bogotá, DC 111321, ColombiaFaculty of Agricultural Sciences, Universidad Nacional de Colombia, sede Palmira, Carrera. 32 # 12–00, Palmira 763533, ColombiaInstitute of Food Science and Technology (ICTA), Universidad Nacional de Colombia, sede Bogotá, Avenida Carrera. 30 # 45–03, ed. 500C, Bogotá, DC 111321, ColombiaDepartment of Food, Environmental and Nutritional Sciences (DeFENS), Università degli Studi di Milano, via Celoria, 2, 20133 Milano, ItalyQuantitative analysis of carotenoids has been extensively reported using UV-Vis spectrophotometry and chromatography, instrumental techniques that require complex extraction protocols with organic solvents. Fourier transform infrared spectroscopy (FTIR) is a potential alternative for simplifying the analysis of food constituents. In this work, the application of FTIR with attenuated total reflectance (ATR) was evaluated for the determination of total carotenoid content (TCC) in <i>Cucurbita</i> spp. samples. Sixty-three samples, belonging to different cultivars of butternut squash (<i>C. moschata</i>) and pumpkin (<i>C. maxima</i>), were selected and analyzed with FTIR- ATR (attenuated total reflectance). Three different preparation protocols for samples were followed: homogenization (A), freeze-drying (B), and solvent extraction (C). The recorded spectra were used to develop regression models by Partial Least Squares (PLS), using data from TCC, determined by UV-Vis spectrophotometry. The PLS regression model obtained with the FTIR data from the freeze-dried samples, using the spectral range 920–3000 cm<sup>−1</sup>, had the best figures of merit (R<sup>2</sup><sub>CAL</sub> of 0.95, R<sup>2</sup><sub>PRED</sub> of 0.93 and RPD of 3.78), being reliable for future application in agriculture. This approach for carotenoid determination in pumpkin and squash avoids the use of organic solvents. Moreover, these results are a rationale for further exploring this technique for the assessment of specific carotenoids in food matrices.https://www.mdpi.com/2076-3417/10/11/3722butternut squashpumpkincarotenoidsFTIR-ATRchemometricsPLS |
| spellingShingle | Natalia Quijano-Ortega Carlos Alberto Fuenmayor Carlos Zuluaga-Dominguez Consuelo Diaz-Moreno Sanín Ortiz-Grisales Maribel García-Mahecha Silvia Grassi FTIR-ATR Spectroscopy Combined with Multivariate Regression Modeling as a Preliminary Approach for Carotenoids Determination in <i>Cucurbita</i> spp. Applied Sciences butternut squash pumpkin carotenoids FTIR-ATR chemometrics PLS |
| title | FTIR-ATR Spectroscopy Combined with Multivariate Regression Modeling as a Preliminary Approach for Carotenoids Determination in <i>Cucurbita</i> spp. |
| title_full | FTIR-ATR Spectroscopy Combined with Multivariate Regression Modeling as a Preliminary Approach for Carotenoids Determination in <i>Cucurbita</i> spp. |
| title_fullStr | FTIR-ATR Spectroscopy Combined with Multivariate Regression Modeling as a Preliminary Approach for Carotenoids Determination in <i>Cucurbita</i> spp. |
| title_full_unstemmed | FTIR-ATR Spectroscopy Combined with Multivariate Regression Modeling as a Preliminary Approach for Carotenoids Determination in <i>Cucurbita</i> spp. |
| title_short | FTIR-ATR Spectroscopy Combined with Multivariate Regression Modeling as a Preliminary Approach for Carotenoids Determination in <i>Cucurbita</i> spp. |
| title_sort | ftir atr spectroscopy combined with multivariate regression modeling as a preliminary approach for carotenoids determination in i cucurbita i spp |
| topic | butternut squash pumpkin carotenoids FTIR-ATR chemometrics PLS |
| url | https://www.mdpi.com/2076-3417/10/11/3722 |
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