Effect of Ionization Degree of Poly(amidoamine) Dendrimer and 5-Fluorouracil on the Efficiency of Complex Formation—A Theoretical and Experimental Approach

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dc.contributor.authorSzota, Magdalena
dc.contributor.authorWolski, Pawel
dc.contributor.authorCarucci, Cristina
dc.contributor.authorMarincola, Flaminia Cesare
dc.contributor.authorGurgul, Jacek
dc.contributor.authorPanczyk, Tomasz
dc.contributor.authorSalis, Andrea
dc.contributor.authorJachimska, Barbara
dc.contributor.organizationJerzy Haber Institute of Catalysis and Surface Chemistry Polish Academy of Sciences, 30-239 Krakow, Polanden
dc.contributor.organizationDepartment of Chemical and Geological Sciences, University of Cagliari, 09042 Cagliari, Italyen
dc.date.accessioned2024-01-23T14:13:12Z
dc.date.available2024-01-23T14:13:12Z
dc.date.issued2023-01-03
dc.description.abstractDue to their unique structure, poly(amidoamine) (PAMAM) dendrimers can bind active ingredients in two ways: inside the structure or on their surface. The location of drug molecules significantly impacts the kinetics of active substance release and the mechanism of internalization into the cell. This study focuses on the effect of the protonation degree of the G4PAMAM dendrimer and the anticancer drug 5-fluorouracil (5FU) on the efficiency of complex formation. The most favorable conditions for constructing the G4PAMAM-5FU complex are a low degree of protonation of the dendrimer molecule with the drug simultaneously present in a deprotonated form. The fluorine components in the XPS spectra confirm the formation of the stable complex. Through SAXS and DLS methods, a decrease in the dendrimer’s molecular size resulting from protonation changes at alkaline conditions was demonstrated. The gradual closure of the dendrimer structure observed at high pH values makes it difficult for the 5FU molecules to migrate to the interior of the support structure, thereby promoting drug immobilization on the surface. The 1H NMR and DOSY spectra indicate that electrostatic interactions determine the complex formation process. Through MD simulations, the localization profile and the number of 5FU molecules forming the complex were visualized on an atomic scale.en
dc.description.sponsorshipThe presented work was partially funded by the National Science Centre NCN Grant OPUS no. 2021/41/B/ST5/02233 and NAWA Canaletto Project no. PPN/BIT/2021/1/00089. M.S. acknowledges the financial support provided by the Polish National Agency for Academic Exchange NAWA Program STER (Project no. PPI/STE/2020/1/00020) and ACRI for Young Investigator Training Program (YITP) 2019 (CSGI-CA-12/2021). Financial support from Fondazione di Sardegna (F72F20000230007) and Regione Autonoma della Sardegna (CUP: J81G17000150002) are gratefully acknowledged. C.C. thanks MIUR (PON-AIM Azione I.2, DD 407-27 February 2018, AIM1890410-2) for funding.
dc.identifier.citationSzota, M.; Wolski, P.; Carucci, C.; Marincola, F.C.; Gurgul, J.; Panczyk, T.; Salis, A.; Jachimska, B. Effect of Ionization Degree of Poly(amidoamine) Dendrimer and 5-Fluorouracil on the Efficiency of Complex Formation—A Theoretical and Experimental Approach. Int. J. Mol. Sci. 2023, 24, 819. https://doi.org/10.3390/ijms24010819en
dc.identifier.doi10.3390/ijms24010819
dc.identifier.issn1422-0067
dc.identifier.urihttps://open.icm.edu.pl/handle/123456789/23699
dc.language.isoen
dc.publisherMDPIen
dc.rightsUznanie autorstwa 4.0 Międzynarodowe*
dc.rights.urihttp://creativecommons.org/licenses/by/4.0/*
dc.subjectPAMAM dendrimeren
dc.subject5-fluorouracilen
dc.subject5FUen
dc.subjectdrug delivery systemsen
dc.subjectDDSen
dc.subjectnanotechnologyen
dc.subjectnanoparticlesen
dc.titleEffect of Ionization Degree of Poly(amidoamine) Dendrimer and 5-Fluorouracil on the Efficiency of Complex Formation—A Theoretical and Experimental Approachen
dc.typearticleen
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