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Combined Experimental and Multivariate Model Approaches for Glycoalkaloid Quantification in Tomatoes

The intake of tomato glycoalkaloids can exert beneficial effects on human health. For this reason, methods for a rapid quantification of these compounds are required. Most of the methods for α-tomatine and dehydrotomatine quantification are based on chromatographic techniques. However, these techniq...

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Autores principales: Tamasi, Gabriella, Pardini, Alessio, Croce, Riccardo, Consumi, Marco, Leone, Gemma, Bonechi, Claudia, Rossi, Claudio, Magnani, Agnese
Formato: Online Artículo Texto
Lenguaje:English
Publicado: MDPI 2021
Materias:
Acceso en línea:https://www.ncbi.nlm.nih.gov/pmc/articles/PMC8196588/
https://www.ncbi.nlm.nih.gov/pubmed/34063803
http://dx.doi.org/10.3390/molecules26113068
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author Tamasi, Gabriella
Pardini, Alessio
Croce, Riccardo
Consumi, Marco
Leone, Gemma
Bonechi, Claudia
Rossi, Claudio
Magnani, Agnese
author_facet Tamasi, Gabriella
Pardini, Alessio
Croce, Riccardo
Consumi, Marco
Leone, Gemma
Bonechi, Claudia
Rossi, Claudio
Magnani, Agnese
author_sort Tamasi, Gabriella
collection PubMed
description The intake of tomato glycoalkaloids can exert beneficial effects on human health. For this reason, methods for a rapid quantification of these compounds are required. Most of the methods for α-tomatine and dehydrotomatine quantification are based on chromatographic techniques. However, these techniques require complex and time-consuming sample pre-treatments. In this work, HPLC-ESI-QqQ-MS/MS was used as reference method. Subsequently, multiple linear regression (MLR) and partial least squares regression (PLSR) were employed to create two calibration models for the prediction of the tomatine content from thermogravimetric (TGA) and attenuated total reflectance (ATR) infrared spectroscopy (IR) analyses. These two fast techniques were proven to be suitable and effective in alkaloid quantification (R(2) = 0.998 and 0.840, respectively), achieving low errors (0.11 and 0.27%, respectively) with the reference technique.
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spelling pubmed-81965882021-06-13 Combined Experimental and Multivariate Model Approaches for Glycoalkaloid Quantification in Tomatoes Tamasi, Gabriella Pardini, Alessio Croce, Riccardo Consumi, Marco Leone, Gemma Bonechi, Claudia Rossi, Claudio Magnani, Agnese Molecules Article The intake of tomato glycoalkaloids can exert beneficial effects on human health. For this reason, methods for a rapid quantification of these compounds are required. Most of the methods for α-tomatine and dehydrotomatine quantification are based on chromatographic techniques. However, these techniques require complex and time-consuming sample pre-treatments. In this work, HPLC-ESI-QqQ-MS/MS was used as reference method. Subsequently, multiple linear regression (MLR) and partial least squares regression (PLSR) were employed to create two calibration models for the prediction of the tomatine content from thermogravimetric (TGA) and attenuated total reflectance (ATR) infrared spectroscopy (IR) analyses. These two fast techniques were proven to be suitable and effective in alkaloid quantification (R(2) = 0.998 and 0.840, respectively), achieving low errors (0.11 and 0.27%, respectively) with the reference technique. MDPI 2021-05-21 /pmc/articles/PMC8196588/ /pubmed/34063803 http://dx.doi.org/10.3390/molecules26113068 Text en © 2021 by the authors. https://creativecommons.org/licenses/by/4.0/Licensee MDPI, Basel, Switzerland. This article is an open access article distributed under the terms and conditions of the Creative Commons Attribution (CC BY) license (https://creativecommons.org/licenses/by/4.0/).
spellingShingle Article
Tamasi, Gabriella
Pardini, Alessio
Croce, Riccardo
Consumi, Marco
Leone, Gemma
Bonechi, Claudia
Rossi, Claudio
Magnani, Agnese
Combined Experimental and Multivariate Model Approaches for Glycoalkaloid Quantification in Tomatoes
title Combined Experimental and Multivariate Model Approaches for Glycoalkaloid Quantification in Tomatoes
title_full Combined Experimental and Multivariate Model Approaches for Glycoalkaloid Quantification in Tomatoes
title_fullStr Combined Experimental and Multivariate Model Approaches for Glycoalkaloid Quantification in Tomatoes
title_full_unstemmed Combined Experimental and Multivariate Model Approaches for Glycoalkaloid Quantification in Tomatoes
title_short Combined Experimental and Multivariate Model Approaches for Glycoalkaloid Quantification in Tomatoes
title_sort combined experimental and multivariate model approaches for glycoalkaloid quantification in tomatoes
topic Article
url https://www.ncbi.nlm.nih.gov/pmc/articles/PMC8196588/
https://www.ncbi.nlm.nih.gov/pubmed/34063803
http://dx.doi.org/10.3390/molecules26113068
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