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Design and molecular modeling of abiraterone-functionalized gold nanoparticles

dc.abstract.enThe aim of our work was the synthesis and physicochemical characterization of a unique conjugate consisting of gold nanoparticles (AuNPs) and a pharmacologically active anticancer substance abiraterone (AB). The direct coupling of AB with gold constitutes an essential feature of the unique AuNPs–AB conjugate that creates a promising platform for applications in nanomedicine. In this work, we present a multidisciplinary, basic study of the obtained AuNPs–AB conjugate. Theoretical modeling based on the density functional theory (DFT) predicted that the Aun clusters would interact with abiraterone preferably at the N-side. A sharp, intense band at 1028 cm−1 was observed in the Raman spectra of the nanoparticles. The shift of this band in comparison to AB itself agrees well with the theoretical model. AB in the nanoparticles was identified by means of electrochemistry and NMR spectroscopy. The sizes of the Au crystallites measured by XRPD were about 9 and 17 nm for the nanoparticles obtained in pH 7.4 and 3.6, respectively. The size of the particles as measured by TEM was 24 and 30 nm for the nanoparticles obtained in pH 7.4 and pH 3.6, respectively. The DLS measurements revealed stable, negatively charged nanoparticles.
dc.affiliationUniwersytet Warszawski
dc.contributor.authorStolarczyk, Elżbieta
dc.contributor.authorKubiszewski, Marek
dc.contributor.authorKuziak, Krzysztof
dc.contributor.authorŁaszcz, Marta
dc.contributor.authorSidoryk, Katarzyna
dc.contributor.authorStolarczyk, Krzysztof
dc.contributor.authorLEŚ, ANDRZEJ
dc.date.accessioned2024-01-24T21:33:22Z
dc.date.available2024-01-24T21:33:22Z
dc.date.copyright2018-08-22
dc.date.issued2018
dc.description.accesstimeAT_PUBLICATION
dc.description.financeNie dotyczy
dc.description.number9
dc.description.versionFINAL_PUBLISHED
dc.description.volume8
dc.identifier.doi10.3390/NANO8090641
dc.identifier.urihttps://repozytorium.uw.edu.pl//handle/item/104596
dc.identifier.weblinkhttps://www.mdpi.com/2079-4991/8/9/641/htm
dc.languageeng
dc.pbn.affiliationchemical sciences
dc.relation.ispartofNanomaterials
dc.relation.pagesart.no.641
dc.rightsCC-BY
dc.sciencecloudnosend
dc.subject.enAuNPs-gold nanoparticles
dc.subject.enAB-abiraterone
dc.subject.enconjugates
dc.subject.enNP-based system
dc.subject.enthermogravimetry
dc.subject.enRaman spectroscopy
dc.subject.enpowder diffraction
dc.subject.entransmission electron microscopy
dc.subject.endensity functional theory
dc.titleDesign and molecular modeling of abiraterone-functionalized gold nanoparticles
dc.typeJournalArticle
dspace.entity.typePublication