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A powerful methodological approach combining headspace solid phase microextraction, mass spectrometry and multivariate analysis for profiling the volatile metabolomic pattern of beer starting raw materials

2014Journal article Restricted access
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dc.contributor.authorGonçalves, João L.
dc.contributor.authorFigueira, José A.
dc.contributor.authorRodrigues, Fátima P.
dc.contributor.authorOrnelas, Laura P.
dc.contributor.authorBranco, Ricardo N.
dc.contributor.authorSilva, Catarina L.
dc.contributor.authorCâmara, José S.
dc.date.accessioned2019-07-19T10:46:16Z
dc.date.available2019-07-19T10:46:16Z
dc.date.issued2014
dc.description.abstractThe volatile metabolomic patterns from different raw materials commonly used in beer production, namely barley, corn and hop-derived products - such as hop pellets, hop essential oil from Saaz variety and tetra-hydro isomerized hop extract (tetra hop), were established using a suitable analytical procedure based on dynamic headspace solid-phase microextraction (HS-SPME) followed by thermal desorption gas chromatography-quadrupole mass spectrometry detection (GC-qMS). Some SPME extraction parameters were optimized. The best results, in terms of maximum signal recorded and number of isolated metabolites, were obtained with a 50/30 μm DVB/CAR/PDMS coating fiber at 40 °C for 30 min. A set of 152 volatile metabolites comprising ketones (27), sesquiterpenes (26), monoterpenes (19), aliphatic esters (19), higher alcohols (15), aldehydes (11), furan compounds (11), aliphatic fatty acids (9), aliphatic hydrocarbons (8), sulphur compounds (5) and nitrogen compounds (2) were positively identified. Each raw material showed a specific volatile metabolomic profile. Monoterpenes in hop essential oil and corn, sesquiterpenes in hop pellets, ketones in tetra hop and aldehydes and sulphur compounds in barley were the predominant chemical families in the targeted beer raw materials. β-Myrcene was the most dominant volatile metabolite in hop essential oil, hop pellets and corn samples while, in barley, the predominant volatile metabolites were dimethyl sulphide and 3-methylbutanal and, in tetra hop, 6-methyl-2-pentanone and 4-methyl-2-pentanone. Principal component analysis (PCA) showed natural sample grouping among beer raw materials.pt_PT
dc.description.versioninfo:eu-repo/semantics/publishedVersionpt_PT
dc.identifier.citationGonçalves, J. L., Figueira, J. A., Rodrigues, F. P., Ornelas, L. P., Branco, R. N., Silva, C. L., & Câmara, J. S. (2014). A powerful methodological approach combining headspace solid phase microextraction, mass spectrometry and multivariate analysis for profiling the volatile metabolomic pattern of beer starting raw materials. Food chemistry, 160, 266-280.pt_PT
dc.identifier.doi10.1016/j.foodchem.2014.03.065pt_PT
dc.identifier.issn0308-8146
dc.identifier.urihttp://hdl.handle.net/10400.13/2487
dc.language.isoengpt_PT
dc.peerreviewedyespt_PT
dc.publisherElsevierpt_PT
dc.relationStrategic Project - UI 674 - 2011-2012
dc.subjectBeerpt_PT
dc.subjectRaw materialspt_PT
dc.subjectGlobal fingerprintpt_PT
dc.subjectVolatile metabolitespt_PT
dc.subjectSolid-phase microextractionpt_PT
dc.subjectMultivariate statistical analysispt_PT
dc.subject.pt_PT
dc.subjectFaculdade de Ciências Exatas e da Engenhariapt_PT
dc.subjectCentro de Química da Madeira
dc.titleA powerful methodological approach combining headspace solid phase microextraction, mass spectrometry and multivariate analysis for profiling the volatile metabolomic pattern of beer starting raw materialspt_PT
dc.typejournal article
dspace.entity.typePublication
oaire.awardTitleStrategic Project - UI 674 - 2011-2012
oaire.awardURIinfo:eu-repo/grantAgreement/FCT/6817 - DCRRNI ID/PEst-OE%2FQUI%2FUI0674%2F2011/PT
oaire.citation.endPage280pt_PT
oaire.citation.startPage266pt_PT
oaire.citation.titleFood Chemistrypt_PT
oaire.citation.volume160pt_PT
oaire.fundingStream6817 - DCRRNI ID
person.familyNameGonçalves
person.familyNameOliveira Figueira
person.familyNameSousa Luís
person.familyNameCâmara
person.givenNameJoão
person.givenNameJosé Aldónio
person.givenNameCatarina Grace
person.givenNameJosé
person.identifierA-8724-2017
person.identifierC-1300-2019
person.identifierG-3003-2013
person.identifier.ciencia-id8C14-3188-9E44
person.identifier.ciencia-id0B1E-B3DD-95F5
person.identifier.ciencia-id9813-3B88-BA8D
person.identifier.ciencia-id481C-08CE-90E5
person.identifier.orcid0000-0002-1265-6686
person.identifier.orcid0000-0003-3719-9327
person.identifier.orcid0000-0002-3018-3165
person.identifier.orcid0000-0003-1965-3151
person.identifier.ridC-1348-2019
person.identifier.scopus-author-id52163735200
person.identifier.scopus-author-id57201813505
person.identifier.scopus-author-id57194492726
person.identifier.scopus-author-id10140393000
project.funder.identifierhttp://doi.org/10.13039/501100001871
project.funder.nameFundação para a Ciência e a Tecnologia
rcaap.rightsrestrictedAccesspt_PT
rcaap.typearticlept_PT
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