Characterization and Classification of Cocoa Bean Shells from Different Regions of Venezuela Using HPLC-PDA-MS/MS and Spectrophotometric Techniques Coupled to Chemometric Analysis
The cocoa bean shell (CBS) is one of the main cocoa byproducts with a prospective to be used as a functional food ingredient due to its nutritional and sensory properties. This study aims to define the chemical fingerprint of CBSs obtained from cocoa beans of diverse cultivars and collected in diffe...
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| Format: | Article |
| Language: | English |
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MDPI AG
2021-08-01
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| Series: | Foods |
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| Online Access: | https://www.mdpi.com/2304-8158/10/8/1791 |
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| author | Letricia Barbosa-Pereira Simona Belviso Ilario Ferrocino Olga Rojo-Poveda Giuseppe Zeppa |
| author_facet | Letricia Barbosa-Pereira Simona Belviso Ilario Ferrocino Olga Rojo-Poveda Giuseppe Zeppa |
| author_sort | Letricia Barbosa-Pereira |
| collection | DOAJ |
| description | The cocoa bean shell (CBS) is one of the main cocoa byproducts with a prospective to be used as a functional food ingredient due to its nutritional and sensory properties. This study aims to define the chemical fingerprint of CBSs obtained from cocoa beans of diverse cultivars and collected in different geographical areas of Venezuela assessed using high-performance liquid chromatography coupled to photodiodes array and mass spectrometry (HPLC-PDA-MS/MS) and spectrophotometric assays combined with multivariate analysis for classification purposes. The study provides a comprehensive fingerprint and quantitative data for 39 compounds, including methylxanthines and several polyphenols, such as flavan-3-ols, procyanidins, and <i>N</i>-phenylpropenoyl amino acids. Several key cocoa markers, such as theobromine, epicatechin, quercetin-3-<i>O</i>-glucoside, procyanidin_A pentoside_3, and <i>N</i>-coumaroyl-<span style="font-variant: small-caps;">l</span>-aspartate_2, were found suitable for the classification of CBS according to their cultivar and origin. Despite the screening methods required a previous purification of the sample, both methodologies appear to be suitable for the classification of CBS with a high correlation between datasets. Finally, preliminary findings on the identification of potential contributors for the radical scavenging activity of CBS were also accomplished to support the valorization of this byproduct as a bioactive ingredient in the production of functional foods. |
| first_indexed | 2024-03-10T08:48:38Z |
| format | Article |
| id | doaj.art-47c27b42618c441185447bc9cb44f70e |
| institution | Directory Open Access Journal |
| issn | 2304-8158 |
| language | English |
| last_indexed | 2024-03-10T08:48:38Z |
| publishDate | 2021-08-01 |
| publisher | MDPI AG |
| record_format | Article |
| series | Foods |
| spelling | doaj.art-47c27b42618c441185447bc9cb44f70e2023-11-22T07:38:51ZengMDPI AGFoods2304-81582021-08-01108179110.3390/foods10081791Characterization and Classification of Cocoa Bean Shells from Different Regions of Venezuela Using HPLC-PDA-MS/MS and Spectrophotometric Techniques Coupled to Chemometric AnalysisLetricia Barbosa-Pereira0Simona Belviso1Ilario Ferrocino2Olga Rojo-Poveda3Giuseppe Zeppa4Department of Agriculture, Forestry and Food Sciences (DISAFA), University of Turin, 10095 Grugliasco, ItalyDepartment of Agriculture, Forestry and Food Sciences (DISAFA), University of Turin, 10095 Grugliasco, ItalyDepartment of Agriculture, Forestry and Food Sciences (DISAFA), University of Turin, 10095 Grugliasco, ItalyDepartment of Agriculture, Forestry and Food Sciences (DISAFA), University of Turin, 10095 Grugliasco, ItalyDepartment of Agriculture, Forestry and Food Sciences (DISAFA), University of Turin, 10095 Grugliasco, ItalyThe cocoa bean shell (CBS) is one of the main cocoa byproducts with a prospective to be used as a functional food ingredient due to its nutritional and sensory properties. This study aims to define the chemical fingerprint of CBSs obtained from cocoa beans of diverse cultivars and collected in different geographical areas of Venezuela assessed using high-performance liquid chromatography coupled to photodiodes array and mass spectrometry (HPLC-PDA-MS/MS) and spectrophotometric assays combined with multivariate analysis for classification purposes. The study provides a comprehensive fingerprint and quantitative data for 39 compounds, including methylxanthines and several polyphenols, such as flavan-3-ols, procyanidins, and <i>N</i>-phenylpropenoyl amino acids. Several key cocoa markers, such as theobromine, epicatechin, quercetin-3-<i>O</i>-glucoside, procyanidin_A pentoside_3, and <i>N</i>-coumaroyl-<span style="font-variant: small-caps;">l</span>-aspartate_2, were found suitable for the classification of CBS according to their cultivar and origin. Despite the screening methods required a previous purification of the sample, both methodologies appear to be suitable for the classification of CBS with a high correlation between datasets. Finally, preliminary findings on the identification of potential contributors for the radical scavenging activity of CBS were also accomplished to support the valorization of this byproduct as a bioactive ingredient in the production of functional foods.https://www.mdpi.com/2304-8158/10/8/1791cocoa bean shellfingerprintpolyphenolsmethylxanthinesHPLC-PDA-MS/MSspectrophotometric screening assays |
| spellingShingle | Letricia Barbosa-Pereira Simona Belviso Ilario Ferrocino Olga Rojo-Poveda Giuseppe Zeppa Characterization and Classification of Cocoa Bean Shells from Different Regions of Venezuela Using HPLC-PDA-MS/MS and Spectrophotometric Techniques Coupled to Chemometric Analysis Foods cocoa bean shell fingerprint polyphenols methylxanthines HPLC-PDA-MS/MS spectrophotometric screening assays |
| title | Characterization and Classification of Cocoa Bean Shells from Different Regions of Venezuela Using HPLC-PDA-MS/MS and Spectrophotometric Techniques Coupled to Chemometric Analysis |
| title_full | Characterization and Classification of Cocoa Bean Shells from Different Regions of Venezuela Using HPLC-PDA-MS/MS and Spectrophotometric Techniques Coupled to Chemometric Analysis |
| title_fullStr | Characterization and Classification of Cocoa Bean Shells from Different Regions of Venezuela Using HPLC-PDA-MS/MS and Spectrophotometric Techniques Coupled to Chemometric Analysis |
| title_full_unstemmed | Characterization and Classification of Cocoa Bean Shells from Different Regions of Venezuela Using HPLC-PDA-MS/MS and Spectrophotometric Techniques Coupled to Chemometric Analysis |
| title_short | Characterization and Classification of Cocoa Bean Shells from Different Regions of Venezuela Using HPLC-PDA-MS/MS and Spectrophotometric Techniques Coupled to Chemometric Analysis |
| title_sort | characterization and classification of cocoa bean shells from different regions of venezuela using hplc pda ms ms and spectrophotometric techniques coupled to chemometric analysis |
| topic | cocoa bean shell fingerprint polyphenols methylxanthines HPLC-PDA-MS/MS spectrophotometric screening assays |
| url | https://www.mdpi.com/2304-8158/10/8/1791 |
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