Combined Analysis of Primary Metabolites and Phenolic Compounds to Authenticate Commercial Monovarietal Peach Purees and Pear Juices

Here we authenticated single-varietal peach purees and pear juices on the basis of primary metabolite and phenolic compound analysis by Proton Nuclear Magnetic Resonance (<sup>1</sup>H-NMR) and Ultra Performance Liquid Chromatography coupled to Photodiode Array and Tandem Mass Spectromet...

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Main Authors: Antoni Delpino-Rius, Jordi Eras, Ferran Gatius, Mercè Balcells, Ramon Canela-Garayoa
Format: Article
Language:English
Published: MDPI AG 2019-09-01
Series:Molecules
Subjects:
PCA
NMR
Online Access:https://www.mdpi.com/1420-3049/24/18/3289
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spelling doaj-e9d857b4c40c4145af9b7ee88cbe5ee42020-11-25T02:01:12ZengMDPI AGMolecules1420-30492019-09-012418328910.3390/molecules24183289molecules24183289Combined Analysis of Primary Metabolites and Phenolic Compounds to Authenticate Commercial Monovarietal Peach Purees and Pear JuicesAntoni Delpino-Rius0Jordi Eras1Ferran Gatius2Mercè Balcells3Ramon Canela-Garayoa4Department of Chemistry, University of Lleida-DBA, R+D Tecnio Center, Avda. Alcalde Rovira Roure, 191, E-25198 Lleida, SpainDepartment of Chemistry, University of Lleida-DBA, R+D Tecnio Center, Avda. Alcalde Rovira Roure, 191, E-25198 Lleida, SpainDepartment of Chemistry, University of Lleida-DBA, R+D Tecnio Center, Avda. Alcalde Rovira Roure, 191, E-25198 Lleida, SpainDepartment of Chemistry, University of Lleida-DBA, R+D Tecnio Center, Avda. Alcalde Rovira Roure, 191, E-25198 Lleida, SpainDepartment of Chemistry, University of Lleida-DBA, R+D Tecnio Center, Avda. Alcalde Rovira Roure, 191, E-25198 Lleida, SpainHere we authenticated single-varietal peach purees and pear juices on the basis of primary metabolite and phenolic compound analysis by Proton Nuclear Magnetic Resonance (<sup>1</sup>H-NMR) and Ultra Performance Liquid Chromatography coupled to Photodiode Array and Tandem Mass Spectrometry (UPLC-PDA-MS/MS), respectively. After suitable preprocessing, the <sup>1</sup>H-NMR and chromatographic data were evaluated by principal component analysis (PCA). The PCA combining data from primary metabolites and phenolic compounds allowed the separation of the clusters in all cases, allowing discrimination of processed and unprocessed peach purees, both separately and pooled. The PCA of primary metabolites allowed the cluster separation of purees of distinct peach varieties but not between processed and non-processed purees. The PCA of phenolic compounds allowed better cluster separation than of primary metabolites. For pear juices, both PCA approaches allowed satisfactory discrimination of Alejandrina, Conference, and Blanquilla cultivars. These approaches may help to better control cultivar authenticity in fruit products. It could therefore contribute to the development of a process to achieve products characterized by a quality characteristic of a given cultivar.https://www.mdpi.com/1420-3049/24/18/3289authenticationPCAprimary metabolitesphenolic compoundsNMRUPLC-PDA-MS/MS
collection DOAJ
language English
format Article
sources DOAJ
author Antoni Delpino-Rius
Jordi Eras
Ferran Gatius
Mercè Balcells
Ramon Canela-Garayoa
spellingShingle Antoni Delpino-Rius
Jordi Eras
Ferran Gatius
Mercè Balcells
Ramon Canela-Garayoa
Combined Analysis of Primary Metabolites and Phenolic Compounds to Authenticate Commercial Monovarietal Peach Purees and Pear Juices
Molecules
authentication
PCA
primary metabolites
phenolic compounds
NMR
UPLC-PDA-MS/MS
author_facet Antoni Delpino-Rius
Jordi Eras
Ferran Gatius
Mercè Balcells
Ramon Canela-Garayoa
author_sort Antoni Delpino-Rius
title Combined Analysis of Primary Metabolites and Phenolic Compounds to Authenticate Commercial Monovarietal Peach Purees and Pear Juices
title_short Combined Analysis of Primary Metabolites and Phenolic Compounds to Authenticate Commercial Monovarietal Peach Purees and Pear Juices
title_full Combined Analysis of Primary Metabolites and Phenolic Compounds to Authenticate Commercial Monovarietal Peach Purees and Pear Juices
title_fullStr Combined Analysis of Primary Metabolites and Phenolic Compounds to Authenticate Commercial Monovarietal Peach Purees and Pear Juices
title_full_unstemmed Combined Analysis of Primary Metabolites and Phenolic Compounds to Authenticate Commercial Monovarietal Peach Purees and Pear Juices
title_sort combined analysis of primary metabolites and phenolic compounds to authenticate commercial monovarietal peach purees and pear juices
publisher MDPI AG
series Molecules
issn 1420-3049
publishDate 2019-09-01
description Here we authenticated single-varietal peach purees and pear juices on the basis of primary metabolite and phenolic compound analysis by Proton Nuclear Magnetic Resonance (<sup>1</sup>H-NMR) and Ultra Performance Liquid Chromatography coupled to Photodiode Array and Tandem Mass Spectrometry (UPLC-PDA-MS/MS), respectively. After suitable preprocessing, the <sup>1</sup>H-NMR and chromatographic data were evaluated by principal component analysis (PCA). The PCA combining data from primary metabolites and phenolic compounds allowed the separation of the clusters in all cases, allowing discrimination of processed and unprocessed peach purees, both separately and pooled. The PCA of primary metabolites allowed the cluster separation of purees of distinct peach varieties but not between processed and non-processed purees. The PCA of phenolic compounds allowed better cluster separation than of primary metabolites. For pear juices, both PCA approaches allowed satisfactory discrimination of Alejandrina, Conference, and Blanquilla cultivars. These approaches may help to better control cultivar authenticity in fruit products. It could therefore contribute to the development of a process to achieve products characterized by a quality characteristic of a given cultivar.
topic authentication
PCA
primary metabolites
phenolic compounds
NMR
UPLC-PDA-MS/MS
url https://www.mdpi.com/1420-3049/24/18/3289
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