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Fusion of DSC and FTIR data with physicochemical profiling to distinguish berry seed oils by extraction methods

cris.virtual.author-orcid0000-0002-0529-3725
cris.virtual.author-orcid0000-0002-3681-153X
cris.virtual.author-orcid0000-0003-4113-1595
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cris.virtual.author-orcid0000-0003-3964-8093
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cris.virtualsource.author-orcida4043375-ad34-47db-b06a-c0b221cf8d5b
cris.virtualsource.author-orcid5d8013d7-489f-4858-b60d-ae1f299fa0a1
cris.virtualsource.author-orcide5b3bdcc-fb9a-4a83-9a35-c24812d69ccd
cris.virtualsource.author-orcid760f4628-04de-49f4-b76a-6c47a9a73832
cris.virtualsource.author-orcide2cdc4d2-9df9-458f-87ff-76bb71cfa6dc
cris.virtualsource.author-orcid#PLACEHOLDER_PARENT_METADATA_VALUE#
dc.abstract.enGrowing concerns over the use of n-hexane in oil extraction, mainly due to its neurotoxicity, have led the European Food Safety Authority (EFSA) to recommend re-evaluating its regulatory limits in food. This highlights the need for reliable authentication methods. In this study, a novel data fusion approach combining differential scanning calorimetry (DSC) melting curves and Fourier transform infrared (FTIR) spectra was proposed for the rapid authentication of berry seed oils by extraction methods. The effects of three extraction techniques: cold pressing, n-hexane, and supercritical CO₂, on the physicochemical, thermal, and spectral profiles of blackcurrant, raspberry, and strawberry seed oils were evaluated. Distinctive FTIR features were observed at wavenumbers 2931, 1726, 1408, and 1046 cm⁻¹ , while the discriminatory DSC features corresponded to the peak temperatures. SIMCA classification models based on low-level DSC-FTIR data fusion were developed to distinguish ‘oil types and extraction methods’ at one run. The models showed promising performance with 81 % overall accuracy in calibration and 77 % in validation, which was higher than for single-method models i.e. FTIR (68 %, 67 %) and DSC (65 %, 64 %). These results demonstrated the potential of this method for rapid oil screening, supporting authentication protocols for regulatory compliance and label transparency in food industry
dc.affiliationWydział Nauk o Żywności i Żywieniu
dc.affiliationWydział Leśny i Technologii Drewna
dc.affiliation.instituteKatedra Technologii Żywności Pochodzenia Roślinnego
dc.affiliation.instituteKatedra Biochemii i Analizy Żywności
dc.affiliation.instituteKatedra Zarządzania Jakością i Bezpieczeństwem Żywności
dc.affiliation.instituteKatedra Chemii
dc.contributor.authorRajagukguk, Yolanda Victoria
dc.contributor.authorGrygier, Anna
dc.contributor.authorSiger, Aleksander
dc.contributor.authorWaśkiewicz, Agnieszka
dc.contributor.authorRyszczyńska, Sylwia
dc.contributor.authorTomaszewska-Gras, Jolanta
dc.date.access2025-10-24
dc.date.accessioned2025-10-24T12:01:53Z
dc.date.available2025-10-24T12:01:53Z
dc.date.copyright2025-10-14
dc.date.issued2025
dc.description.accesstimeat_publication
dc.description.bibliographyil., bibliogr.
dc.description.financepublication_nocost
dc.description.financecost0,00
dc.description.if4,6
dc.description.numberPart 3, December 2025
dc.description.points100
dc.description.versionfinal_published
dc.description.volume148
dc.identifier.doi10.1016/j.jfca.2025.108475
dc.identifier.eissn1096-048
dc.identifier.issn0889-1575
dc.identifier.urihttps://sciencerep.up.poznan.pl/handle/item/5434
dc.identifier.weblinkhttps://www.sciencedirect.com/science/article/pii/S0889157525012918
dc.languageen
dc.relation.ispartofJournal of Food Composition and Analysis
dc.relation.pagesart. 108475
dc.rightsCC-BY
dc.sciencecloudnosend
dc.share.typeOTHER
dc.subject.enblackcurrant
dc.subject.enraspberry
dc.subject.enstrawberry
dc.subject.endata fusion
dc.subject.ensolvent extraction
dc.subject.enhexane
dc.subject.encold pressing
dc.subject.ensupercritical CO2
dc.subject.enchemometrics
dc.titleFusion of DSC and FTIR data with physicochemical profiling to distinguish berry seed oils by extraction methods
dc.typeJournalArticle
dspace.entity.typePublication
oaire.citation.volume148