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Solubility of olive oil phenolic compounds in green solvents

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datacite.subject.fosCiências Agrárias::Biotecnologia Agrária e Alimentar
datacite.subject.sdg02:Erradicar a Fome
datacite.subject.sdg03:Saúde de Qualidade
dc.contributor.authorVale, Mariana Ribeiro de Paula
dc.contributor.authorZambom, Aline
dc.contributor.authorKrüger, Felipe
dc.contributor.authorMartins, Mónia A. R.
dc.contributor.authorCoutinho, João A.P.
dc.contributor.authorPinho, Simão
dc.contributor.authorPeres, António M.
dc.contributor.authorFerreira, Olga
dc.date.accessioned2025-11-05T11:04:08Z
dc.date.available2025-11-05T11:04:08Z
dc.date.issued2025
dc.description.abstractThe production of olive oil generates various by-products that are rich in phenyl alcohols, secoiridoids, phenolic acids and aldehydes, flavonoids, and other bioactive compounds. Due to their diverse biological activities, these compounds have promising potential as functional additives in the food, pharmaceutical, and cosmetics industries.1 However, data on their solubility in water and common volatile organic solvents, as well as partitioning behavior—critical for optimizing extraction, purification, and formulation processes—remains very limited. In this study, the solubility of tyrosol (a phenyl alcohol) was experimentally determined in ten pure solvents and five aqueous binary solvent mixtures, using acetone, ethanol, 2-propanol, 1,3-butanediol, and 1,3-propanediol as co-solvents. Measurements were performed at 298 K using the analytical isothermal shake flask method. Additionally, the COnductor-like Screening MOdel for Real Solvents (COSMO-RS)3 using the default conformer distribution was employed to predict the solubility of tyrosol, hydroxytyrosol, and oleuropein in a wide range of pure organic solvents varying in polarity and functional groups, as well as in aqueous binary solvent mixtures. For tyrosol, the influence of solvent conformers and their apolar, hydrogen bond donor, and acceptor characteristics on COSMO-RS predictions was analyzed, as illustrated in Figure 1 for water–ethanol mixtures. Overall, the model effectively captures general solubility trends, though with reduced quantitative accuracy in polar aprotic solvents, indicating its utility for preliminary solvent selection.eng
dc.description.sponsorshipNational funds supported this work through FCT/MCTES (PIDDAC): CIMO, UIDB/00690/2020 (DOI: 10.54499/UIDB/00690/2020) and UIDP/00690/2020 (DOI: 10.54499/UIDP/00690/2020); SusTEC, LA/P/0007/2020 (DOI: 10.54499/LA/P/0007/2020); CICECO-Aveiro Institute of Materials, UIDB/50011/2020, UIDP/50011/2020 and LA/P/0006/2020. National funding by FCT through the individual research grant (UI/BD/154740/2023) of A. Zambom.
dc.identifier.citationVale, Mariana Ribeiro de Paula; Zambom, Aline; Krüger, Felipe; Martins, Mónia A. R.; Coutinho, João A.P.; Peres, António M.; Ferreira, Olga (2025). Solubility of olive oil phenolic compounds in green solventes. In Book of Abstracts of the 27th IUPAC International Conference on Chemical Thermodynamics ICCT2025. Porto. ISBN 978-989-35992-9-7
dc.identifier.isbn978-989-35992-9-7
dc.identifier.urihttp://hdl.handle.net/10198/34951
dc.language.isoeng
dc.peerreviewedyes
dc.publisherUniversity of Porto
dc.relationMountain Research Center
dc.relationCICECO-Aveiro Institute of Materials
dc.relationMountain Research Center
dc.relationCICECO – Aveiro Institute of Materials
dc.relationUIDP/50011/2020
dc.relationLA/P/0006/2020
dc.rights.urihttp://creativecommons.org/licenses/by/4.0/
dc.subjectOlive oil
dc.subjectOlives
dc.titleSolubility of olive oil phenolic compounds in green solventspor
dc.typeconference object
dspace.entity.typePublication
oaire.awardNumberUIDB/00690/2020
oaire.awardNumberUIDB/50011/2020
oaire.awardNumberUIDP/00690/2020
oaire.awardNumberLA/P/0006/2020
oaire.awardTitleMountain Research Center
oaire.awardTitleCICECO-Aveiro Institute of Materials
oaire.awardTitleMountain Research Center
oaire.awardTitleCICECO – Aveiro Institute of Materials
oaire.awardURIinfo:eu-repo/grantAgreement/FCT/6817 - DCRRNI ID/UIDB%2F00690%2F2020/PT
oaire.awardURIinfo:eu-repo/grantAgreement/FCT/6817 - DCRRNI ID/UIDB%2F50011%2F2020/PT
oaire.awardURIinfo:eu-repo/grantAgreement/FCT/6817 - DCRRNI ID/UIDP%2F00690%2F2020/PT
oaire.awardURIinfo:eu-repo/grantAgreement/FCT/6817 - DCRRNI ID/LA%2FP%2F0006%2F2020/PT
oaire.citation.conferenceDate2025
oaire.citation.conferencePlacePorto
oaire.citation.endPage169
oaire.citation.startPage169
oaire.citation.titleBook of Abstracts of the 27th IUPAC International Conference on Chemical Thermodynamics ICCT2025
oaire.fundingStream6817 - DCRRNI ID
oaire.fundingStream6817 - DCRRNI ID
oaire.fundingStream6817 - DCRRNI ID
oaire.fundingStream6817 - DCRRNI ID
oaire.versionhttp://purl.org/coar/version/c_970fb48d4fbd8a85
person.familyNameMartins
person.familyNamePinho
person.familyNamePeres
person.familyNameFerreira
person.givenNameMónia A. R.
person.givenNameSimão
person.givenNameAntónio M.
person.givenNameOlga
person.identifier810882
person.identifier107333
person.identifier.ciencia-id8117-0EEA-6B8E
person.identifier.ciencia-id481D-73AD-8D0F
person.identifier.ciencia-idCF16-5443-F420
person.identifier.ciencia-id9F1D-C75A-4A54
person.identifier.orcid0000-0003-0748-1612
person.identifier.orcid0000-0002-9211-857X
person.identifier.orcid0000-0001-6595-9165
person.identifier.orcid0000-0001-8414-3479
person.identifier.ridD-4148-2013
person.identifier.ridI-8470-2012
person.identifier.ridM-4567-2013
person.identifier.scopus-author-id56191802400
person.identifier.scopus-author-id7003570175
person.identifier.scopus-author-id7102331969
person.identifier.scopus-author-id57203083219
project.funder.identifierhttp://doi.org/10.13039/501100001871
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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
project.funder.nameFundação para a Ciência e a Tecnologia
project.funder.nameFundação para a Ciência e a Tecnologia
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