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IN PRESS - Solvent screening for the purification of monoterpenoids by countercurrent and centrifugal partition chromatography

2024Journal article Restricted access
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dc.contributor.authorVilas‐Boas, Sérgio M.
dc.contributor.authorCoutinho, João A.P.
dc.contributor.authorPinho, Simão
dc.contributor.authorFerreira, Olga
dc.date.accessioned2024-12-20T16:19:45Z
dc.date.available2024-12-20T16:19:45Z
dc.date.issued2024
dc.description.abstractCountercurrent chromatography (CCC) and centrifugal partition chromatography (CPC) are efficient techniques to purify terpenoids from essential oils. These methods require suitable solvent systems for the partition between the two immiscible liquid phases. In this study, using the analytical shake-flask method, we measured the partition coefficients of three model monoterpenoids, namely carvone, eucalyptol and thymol, in 11 biphasic solvent systems, at 298.2 K. Moreover, the predictive COSMO-RS model was applied to represent the partition coefficients of data measured in this work and retrieved from the literature, the liquid–liquid equilibrium (LLE) data of three solvent families suitable for CCC/CPC separations (i.e., Arizona, Modified Arizona and Green Arizona) and the solute's partition coefficients in the three solvent families. RESULTS: The partition coefficients obtained for thymol and eucalyptol are the first partition data available in the literature. The obtained root mean square deviations (RMSDs) between the experimental and predicted partition coefficients (log basis) varied between 0.28 and 0.49. For LLE, RMSDs of 0.040 and 0.048 were achieved for the Arizona and Green Arizona families, respectively. CONCLUSION: The predictive COSMO-RS model describes the monoterpenoid partition coefficients and the LLE data of the solvent families well. The most favorable solvent systems to perform the separations were identified, showing that systems with low and intermediate-to-low polarities are the most promising options for separating the selected monoterpenoids from their natural matrices by CCC/CPC techniques.pt_PT
dc.description.sponsorshipThis work was developed within the scope of the project CIMO – Mountain Research Center, UIDB/00690/2020 and LA/P/0007/2020, and CICECO – Aveiro Institute of Materials, UIDB/50011/2020, UIDP/50011/2020 and LA/P/0006/2020, financed by national funds through the Portuguese Foundation for Science and Technology (FCT)/MCTES. Sérgio M Vilas-Boas thanks FCT and the European Social Fund (ESF) for his PhD grant (SFRH/BD/138149/2018 and COVID/BD/152936/2022).pt_PT
dc.description.versioninfo:eu-repo/semantics/publishedVersionpt_PT
dc.identifier.citationVilas‐Boas, Sérgio M.; Coutinho, João A.P.; Pinho, Simão P.; Ferreira, Olga (2024). Solvent screening for the purification of monoterpenoids by countercurrent and centrifugal partition chromatography. Journal of Chemical Technology & Biotechnology. ISSN 0268-2575. 100:1, p. 166–175pt_PT
dc.identifier.doi10.1002/jctb.7762pt_PT
dc.identifier.eissn1097-4660
dc.identifier.issn0268-2575
dc.identifier.urihttp://hdl.handle.net/10198/30765
dc.language.isoengpt_PT
dc.peerreviewedyespt_PT
dc.publisherWileypt_PT
dc.relationMountain Research Center
dc.relationAssociate Laboratory for Sustainability and Tecnology in Mountain Regions
dc.relationCICECO-Aveiro Institute of Materials
dc.relationCICECO-Aveiro Institute of Materials
dc.relationCICECO – Aveiro Institute of Materials
dc.relationNovos Processos de Separação para o Fracionamento e Purificação de Terpenos
dc.relationNovos Processos de Separação para o Fracionamento e Purificação de Terpenos
dc.rights.urihttp://creativecommons.org/licenses/by/4.0/pt_PT
dc.subjectMonoterpenoidspt_PT
dc.subjectPartition coefficientpt_PT
dc.subjectCOSMO-RSpt_PT
dc.subjectSolvent screeningpt_PT
dc.subjectCountercurrent chromatographypt_PT
dc.subjectPartition chromatographypt_PT
dc.titleIN PRESS - Solvent screening for the purification of monoterpenoids by countercurrent and centrifugal partition chromatographypt_PT
dc.typejournal article
dspace.entity.typePublication
oaire.awardTitleMountain Research Center
oaire.awardTitleAssociate Laboratory for Sustainability and Tecnology in Mountain Regions
oaire.awardTitleCICECO-Aveiro Institute of Materials
oaire.awardTitleCICECO-Aveiro Institute of Materials
oaire.awardTitleCICECO – Aveiro Institute of Materials
oaire.awardTitleNovos Processos de Separação para o Fracionamento e Purificação de Terpenos
oaire.awardTitleNovos Processos de Separação para o Fracionamento e Purificação de Terpenos
oaire.awardURIinfo:eu-repo/grantAgreement/FCT/6817 - DCRRNI ID/UIDB%2F00690%2F2020/PT
oaire.awardURIinfo:eu-repo/grantAgreement/FCT/6817 - DCRRNI ID/LA%2FP%2F0007%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%2F50011%2F2020/PT
oaire.awardURIinfo:eu-repo/grantAgreement/FCT/6817 - DCRRNI ID/LA%2FP%2F0006%2F2020/PT
oaire.awardURIinfo:eu-repo/grantAgreement/FCT//SFRH%2FBD%2F138149%2F2018/PT
oaire.awardURIinfo:eu-repo/grantAgreement/FCT//COVID%2FBD%2F152936%2F2022/PT
oaire.citation.titleJournal of Chemical Technology & Biotechnologypt_PT
oaire.fundingStream6817 - DCRRNI ID
oaire.fundingStream6817 - DCRRNI ID
oaire.fundingStream6817 - DCRRNI ID
oaire.fundingStream6817 - DCRRNI ID
oaire.fundingStream6817 - DCRRNI ID
person.familyNamePinho
person.familyNameFerreira
person.givenNameSimão
person.givenNameOlga
person.identifier810882
person.identifier.ciencia-id481D-73AD-8D0F
person.identifier.ciencia-id9F1D-C75A-4A54
person.identifier.orcid0000-0002-9211-857X
person.identifier.orcid0000-0001-8414-3479
person.identifier.ridD-4148-2013
person.identifier.ridM-4567-2013
person.identifier.scopus-author-id7003570175
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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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project.funder.nameFundação para a Ciência e a Tecnologia
project.funder.nameFundação para a Ciência e a Tecnologia
rcaap.rightsrestrictedAccesspt_PT
rcaap.typearticlept_PT
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