Identification and quantitative measurement of pyroglutamic acid in ¹H NMR spectra of wine
dc.contributor.author | Watson, F.T. | |
dc.contributor.author | Nilsson, M. | |
dc.contributor.author | Herderich, M. | |
dc.contributor.author | Torres, A. | |
dc.contributor.author | Price, W.S. | |
dc.contributor.author | Morris, G.A. | |
dc.date.issued | 2025 | |
dc.description | Available online 15 March 2025 | |
dc.description.abstract | Proton NMR is one of the key analytical technologies in the field of metabolomics, as it allows one to combine untargeted, targeted, and quantitative metabolite measurements. One of NMR's greatest strengths is the ability to unambiguously identify compounds when present at mg/L concentrations, without the use of expensive or hard-to-source reference compounds. Furthermore, identification can be performed non-destructively on complex samples without the need for further sample preparation and isolation. Here, we describe a series of NMR experiments and data processing techniques to unambiguously identify the metabolite pyroglutamic acid (pGlu) in wine samples, without prior enrichment or separation from matrix compounds and other metabolites typically present in wine. Subsequently, the concentration of pGlu in 100 Australian wines was determined using standard NMR protocols. Statistical analysis demonstrated that occurrence of pGlu is associated with glutamic acid, is linked to vintage conditions and accumulated heat over the growing season, and is negatively associated with rainfall during the growing season. Overall, the results establish the presence and typical concentrations of the amino acid metabolite pGlu in Australian wine. | |
dc.description.statementofresponsibility | Flynn T. Watson, Mathias Nilsson, Markus Herderich, Allan Torres, William S. Price, Gareth A. Morris | |
dc.identifier.citation | Food Research International, 2025; 209:116247-1-116247-1=9 | |
dc.identifier.doi | 10.1016/j.foodres.2025.116247 | |
dc.identifier.issn | 0963-9969 | |
dc.identifier.issn | 1873-7145 | |
dc.identifier.orcid | Herderich, M. [0000-0002-4136-8886] | |
dc.identifier.uri | https://hdl.handle.net/2440/144861 | |
dc.language.iso | en | |
dc.publisher | Elsevier | |
dc.relation.grant | http://purl.org/au-research/grants/arc/LE0347746 | |
dc.relation.grant | http://purl.org/au-research/grants/arc/LE130100199 | |
dc.relation.grant | http://purl.org/au-research/grants/arc/IC170100008 | |
dc.relation.grant | http://purl.org/au-research/grants/arc/IE240100040 | |
dc.rights | © 2025 The Authors. Published by Elsevier Ltd. This is an open access article under the CC BY license (http://creativecommons.org/licenses/by/4.0/). | |
dc.source.uri | https://doi.org/10.1016/j.foodres.2025.116247 | |
dc.subject | NMR; Wine; Metabolomics; Pure shift; Ultra-selective; Pyroglutamic acid; GEMSTONE; STOCS | |
dc.subject.mesh | Pyrrolidonecarboxylic Acid | |
dc.subject.mesh | Glutamic Acid | |
dc.subject.mesh | Magnetic Resonance Spectroscopy | |
dc.subject.mesh | Wine | |
dc.subject.mesh | Australia | |
dc.subject.mesh | Metabolomics | |
dc.subject.mesh | Proton Magnetic Resonance Spectroscopy | |
dc.title | Identification and quantitative measurement of pyroglutamic acid in ¹H NMR spectra of wine | |
dc.title.alternative | Identification and quantitative measurement of pyroglutamic acid in 1H NMR spectra of wine | |
dc.type | Journal article | |
pubs.publication-status | Published |
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