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Meta-analysis on the Salt Effect on Glycine Solubility Applying Gaussian Processes

2026Artigo científico Acesso aberto
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datacite.subject.fosCiências Naturais::Ciências Químicas
datacite.subject.sdg06:Água Potável e Saneamento
datacite.subject.sdg09:Indústria, Inovação e Infraestruturas
datacite.subject.sdg04:Educação de Qualidade
dc.contributor.authorPiske, Christopher A.
dc.contributor.authorLeite, Priscilla G.
dc.contributor.authorMartins, Mónia A. R.
dc.contributor.authorFerreira, Olga
dc.contributor.authorCoutinho, João A. P.
dc.contributor.authorAbranches, João Dinis Oliveira
dc.contributor.authorPinho, Simão
dc.date.accessioned2026-06-23T16:53:17Z
dc.date.available2026-06-23T16:53:17Z
dc.date.issued2026
dc.description.abstractIn aqueous solutions containing electrolytes, ions influence both the solubility and the stability of biomolecules. However, inconsistencies across published data highlight the need for a critical review. To address this, a database was constructed on the solubility of glycine in electrolyte solutions spanning from 1996 to 2024, and the experimental data were critically evaluated. Gaussian Process (GP) models were implemented to analyze, predict, and validate solubility behavior. The GP model successfully captures salting-in and salting-out trends, along with specific ion effects reported in the literature. It also provides predictive uncertainty estimates that help identify potentially inconsistent data points or sets. This uncertainty-based analysis enables the reconciliation of conflicting datasets and helps prioritize new experimental measurements in regions where data are sparse or less reliable. By applying a data-filtering method that removes experimental points falling outside the uncertainty range of the model, the influence of inconsistent values is reduced. This results in a more robust model fit and improved prediction accuracy. Therefore, the GP establishes a quantitative foundation for consolidating the current knowledge on the solubility of glycine in saline solutions, identifying methodological inconsistencies in the literature.eng
dc.description.sponsorshipThis work was developed within the scope of the project CIMO-Centro de Investigação de Montanha, UIDB/00690/2020 (https://doi.org/10.54499/UIDB/00690/2020), UIDP/00690/2020 (https://doi.org/10.54499/UIDP/00690/2020); and SusTEC, LA/P/0007/2020 (https://doi.org/10.54499/LA/P/0007/ 2020), and CICECO-Aveiro Institute of Materials, UIDB/50011/2020 (https://doi.org/10.54499/UIDB/50011/2020), UIDP/50011/2020 (https://doi.org/10.54499/UIDP/50011/2020) and LA/P/0006/2020 (https://doi.org/10.54499/LA/P/0006/2020), all financed by national funds through the FCT/MCTES (PIDDAC). The financial support from IUPAC Project No. 2022-002-2-500 is highly acknowledged.
dc.identifier.citationPiske, Christopher A.; Leite, Priscilla G.; Martins, Mónia A. R.; Ferreira, Olga; Coutinho, João A. P.; Abranches, Dinis O.; Pinho, Simão P. (2026). Meta-analysis on the Salt Effect on Glycine Solubility Applying Gaussian Processes. Journal of Solution Chemistry. ISSN 0095-9782. 55:6, p. 1229-1245
dc.identifier.doi10.1007/s10953-026-01561-9
dc.identifier.issn0095-9782
dc.identifier.issn1572-8927
dc.identifier.urihttp://hdl.handle.net/10198/36926
dc.language.isoeng
dc.peerreviewedyes
dc.publisherSpringer
dc.relationMountain Research Center - UIDB/00690/2020
dc.relationMountain Research Center - UIDP/00690/2020
dc.relationAssociate Laboratory for Sustainability and Tecnology in Mountain Regions - LA/P/0007/2020
dc.relationCICECO-Aveiro Institute of Materials
dc.relationCICECO – Aveiro Institute of Materials
dc.relationCICECO-Aveiro Institute of Materials
dc.relation.ispartofJournal of Solution Chemistry
dc.rights.urihttp://creativecommons.org/licenses/by/4.0/
dc.subjectElectrolyte solutions
dc.subjectSolubility
dc.subjectGaussian process
dc.subjectUncertainty
dc.subjectData reliability
dc.titleMeta-analysis on the Salt Effect on Glycine Solubility Applying Gaussian Processeseng
dc.typejournal article
dspace.entity.typePublication
oaire.awardNumberUIDB/00690/2020
oaire.awardNumberUIDP/00690/2020
oaire.awardNumberLA/P/0007/2020
oaire.awardNumberUIDP/50011/2020
oaire.awardNumberLA/P/0006/2020
oaire.awardNumberUIDB/50011/2020
oaire.awardTitleMountain Research Center - UIDB/00690/2020
oaire.awardTitleMountain Research Center - UIDP/00690/2020
oaire.awardTitleAssociate Laboratory for Sustainability and Tecnology in Mountain Regions - LA/P/0007/2020
oaire.awardTitleCICECO-Aveiro Institute of Materials
oaire.awardTitleCICECO – Aveiro Institute of Materials
oaire.awardTitleCICECO-Aveiro Institute of Materials
oaire.awardURIinfo:eu-repo/grantAgreement/FCT/6817 - DCRRNI ID/UIDB%2F00690%2F2020/PT
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oaire.awardURIinfo:eu-repo/grantAgreement/FCT/6817 - DCRRNI ID/UIDB%2F50011%2F2020/PT
oaire.citation.endPage1245
oaire.citation.issue6
oaire.citation.startPage1229
oaire.citation.titleJournal of Solution Chemistry
oaire.citation.volume55
oaire.fundingStream6817 - DCRRNI ID
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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
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person.familyNamePinho
person.givenNameMónia A. R.
person.givenNameOlga
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person.identifier.orcid0000-0001-8414-3479
person.identifier.orcid0000-0002-9211-857X
person.identifier.ridM-4567-2013
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project.funder.nameFundação para a Ciência e a Tecnologia
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