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DLLμE/GC-MS as a Powerful Analytical Approach to Establish the Volatilomic Composition of Different Whiskeys

2022Journal article Open access
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dc.contributor.authorPerestrelo, Rosa
dc.contributor.authorCaldeira, Michael
dc.contributor.authorRodrigues, Freddy
dc.contributor.authorPereira, Jorge A. M.
dc.contributor.authorCâmara, José S.
dc.date.accessioned2024-07-16T14:55:58Z
dc.date.available2024-07-16T14:55:58Z
dc.date.issued2022
dc.description.abstractThe volatilomic fingerprint of nine different whiskeys was established using a rapid and sensitive analytical approach based on dispersive liquid–liquid microextraction (DLLµE) followed by gas chromatography mass spectrometry detection (GC-MS) and gas chromatography with flame ionization detection (GC-FID). The influence of the extractor solvent on the extraction efficiency of volatile compounds (VOCs) was evaluated by DLLµE/GC-MS. The highest amounts of VOCs were obtained using 5 mL of sample, dichloromethane as the extractor solvent, and acetone as the disperser solvent. The proposed method showed no matrix effect, good linearity (R2 ≥ 0.993) in the assessed concentration range, recovery (ranging from 70 to 99%, precision (RSD ≤ 15%) and sensitivity (low limits of detection and quantification). A total of 37 VOCs belonging to different biosynthetic pathways including alcohols, esters, acids, carbonyl compounds, furanic compounds and volatile phenols were identified and quantified using DLLµE/GC-MS and DLLµE/GC-FID, respectively. Alcohols (3-methylbutan-1-ol, propan-1-ol), esters (ethyl decanoate, ethyl octanoate, ethyl hexanoate), and acids (decanoic acid, octanoic acid, hexanoic acid) were the most abundant chemical families. The multivariate statistical analysis allowed for the discrimination of whiskeys based on their volatilomic fingerprint, namely octanoic acid, 2-furfural, ethyl octanoate, ethyl hexanoate, acetic acid, ethyl dodecanoate, butan-1-ol, and ethyl decanoate.pt_PT
dc.description.versioninfo:eu-repo/semantics/publishedVersionpt_PT
dc.identifier.citationPerestrelo, R.; Caldeira, M.; Rodrigues, F.; Pereira, J.A.M.; Câmara, J.S. DLLµE/GC-MS as a Powerful Analytical Approach to Establish the Volatilomic Composition of Different Whiskeys. Beverages 2022, 8, 53. https:// doi.org/10.3390/beverages8030053pt_PT
dc.identifier.doi10.3390/beverages8030053pt_PT
dc.identifier.urihttp://hdl.handle.net/10400.13/5750
dc.language.isoengpt_PT
dc.peerreviewedyespt_PT
dc.publisherMDPIpt_PT
dc.relationMadeira Chemistry Research Centre
dc.relationMadeira Chemistry Research Centre
dc.rights.urihttp://creativecommons.org/licenses/by/4.0/pt_PT
dc.subjectWhiskeyspt_PT
dc.subjectVolatile fingerprintpt_PT
dc.subjectDispersive liquid–liquid microextractionpt_PT
dc.subjectGC-MSpt_PT
dc.subject.pt_PT
dc.subjectCentro de Química da Madeirapt_PT
dc.subjectFaculdade de Ciências Exatas e da Engenhariapt_PT
dc.titleDLLμE/GC-MS as a Powerful Analytical Approach to Establish the Volatilomic Composition of Different Whiskeyspt_PT
dc.typejournal article
dspace.entity.typePublication
oaire.awardTitleMadeira Chemistry Research Centre
oaire.awardTitleMadeira Chemistry Research Centre
oaire.awardURIinfo:eu-repo/grantAgreement/FCT/6817 - DCRRNI ID/UIDB%2F00674%2F2020/PT
oaire.awardURIinfo:eu-repo/grantAgreement/FCT/6817 - DCRRNI ID/UIDP%2F00674%2F2020/PT
oaire.citation.issue3pt_PT
oaire.citation.startPage53pt_PT
oaire.citation.titleBeveragespt_PT
oaire.citation.volume8pt_PT
oaire.fundingStream6817 - DCRRNI ID
oaire.fundingStream6817 - DCRRNI ID
person.familyNamePerestrelo
person.familyNameCaldeira
person.familyNameAugusto Machado Pereira
person.familyNameCâmara
person.givenNameRosa
person.givenNameMichael
person.givenNameJorge
person.givenNameJosé
person.identifier1441319
person.identifierG-3003-2013
person.identifier.ciencia-id251A-D5F7-9E32
person.identifier.ciencia-idEC12-EE8F-50E8
person.identifier.ciencia-id481C-08CE-90E5
person.identifier.orcid0000-0002-7223-1022
person.identifier.orcid0000-0001-5371-7281
person.identifier.orcid0000-0003-0316-5348
person.identifier.orcid0000-0003-1965-3151
person.identifier.ridI-2307-2014
person.identifier.ridA-2461-2013
person.identifier.scopus-author-id16686828800
person.identifier.scopus-author-id16300962200
person.identifier.scopus-author-id10140393000
project.funder.identifierhttp://doi.org/10.13039/501100001871
project.funder.identifierhttp://doi.org/10.13039/501100001871
project.funder.nameFundação para a Ciência e a Tecnologia
project.funder.nameFundação para a Ciência e a Tecnologia
rcaap.rightsopenAccesspt_PT
rcaap.typearticlept_PT
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