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Pretreatment Tunes scCO2Extract Composition and Bioactivity in Three Microalgae

2025-11-28Artigo científico Acesso aberto
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dc.contributor.authorVladic, Jelena
dc.contributor.authorRadman, Sanja
dc.contributor.authorBesu, Irina
dc.contributor.authorStanojkovic, Tatjana
dc.contributor.authorZloh, Mire
dc.contributor.authorJerkovic, Igor
dc.contributor.authorKaradzic Banjac, Milica
dc.contributor.authorIvkovic, Milena
dc.contributor.authorPereira, Hugo
dc.contributor.authorGouveia, Luisa
dc.contributor.institutionDQ - Departamento de Química
dc.contributor.institutionLAQV@REQUIMTE
dc.contributor.pblACS - American Chemical Society
dc.date.accessioned2026-02-03T09:57:01Z
dc.date.available2026-02-03T09:57:01Z
dc.date.issued2025-11-28
dc.descriptionPublisher Copyright: © 2025 American Chemical Society
dc.description.abstractThis study explores the impact of enzymatic (ENZ), microwave (MW), and ultrasound (US) pretreatments on supercritical CO2 (scCO2) extraction efficiency, chemical composition, and cytotoxic activity of Tetraselmis sp., Tetradesmus obliquus, and Chlorococcum sp. Pretreatments significantly enhanced extraction yields, with ENZ being most effective for Tetraselmis and Chlorococcum, and MW for T. obliquus. UPLC-HRMS profiling revealed species- and pretreatment-specific shifts: ENZ and US improved pigment recovery in Tetraselmis, while MW enriched carotenoids and chlorophyll derivatives. In Chlorococcum, MW boosted pigment diversity, whereas ENZ and US favored fatty acid derivatives in the extracts. Multivariate analysis confirmed significant compositional changes, particularly after ENZ and MW pretreatments. Tetraselmis extracts, especially those pretreated with MW, exhibited the strongest cytotoxic activity and highest selectivity indices against HeLa and MDA-MB-453 cancer cell lines. Correlation analysis identified compounds such as 2,3-dihydroxypropyl stearate, fucoxanthin, and (3β)-3-hydroxystigmast-5-en-7-one as strongly linked to cytotoxicity. Molecular docking further showed that abundant compounds in Tetraselmis extracts have high predicted affinities for cancer-related targets (e.g., BCL2, EGFR, PDK1). The results suggest that cytotoxic effects arise from both specific bioactive compounds and their synergistic interactions. These findings show that pretreatments can purposefully tune scCO2 extracts and provide a data-driven basis for designing more sustainable microalgal extraction workflows.en
dc.description.versionauthorsversion
dc.description.versionpublished
dc.format.extent18
dc.format.extent1898059
dc.identifier.doi10.1021/acssuschemeng.5c09964
dc.identifier.issn2168-0485
dc.identifier.otherPURE: 151571987
dc.identifier.otherPURE UUID: 999cca69-4043-46a6-9107-d65870fc6763
dc.identifier.otherScopus: 105024874320
dc.identifier.otherWOS: 001628242600001
dc.identifier.urihttp://hdl.handle.net/10362/199948
dc.identifier.urlhttps://www.scopus.com/pages/publications/105024874320
dc.identifier.urlhttps://www.webofscience.com/wos/woscc/full-record/WOS:001628242600001
dc.language.isoeng
dc.peerreviewedyes
dc.subjectChlorococcum
dc.subjectCytotoxicity
dc.subjectPretreatments
dc.subjectsupercritical CO
dc.subjectTetradesmus
dc.subjectTetraselmis
dc.subjectUHPLC
dc.subjectGeneral Chemistry
dc.subjectEnvironmental Chemistry
dc.subjectGeneral Chemical Engineering
dc.subjectRenewable Energy, Sustainability and the Environment
dc.subjectSDG 3 - Good Health and Well-being
dc.subjectSDG 7 - Affordable and Clean Energy
dc.titlePretreatment Tunes scCO2Extract Composition and Bioactivity in Three Microalgaeen
dc.title.subtitleChemometric and Molecular Docking Insightsen
dc.typejournal article
degois.publication.firstPage21239
degois.publication.issue49
degois.publication.lastPage21256
degois.publication.titleACS Sustainable Chemistry and Engineering
degois.publication.volume13
dspace.entity.typePublication
rcaap.rightsopenAccess

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