Experimental and computational investigation of clustering behavior of cyclodextrin-perfluorocarbon inclusion complexes as effective histotripsy agents

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dc.authorid0000-0001-5950-3436
dc.authorid0000-0003-2776-5807
dc.contributor.authorKaymaz, Betül
dc.contributor.authorMustafa, Waleed
dc.contributor.authorHall, Sarah
dc.contributor.authorVlaisavljevich, Eli
dc.contributor.authorŞensoy, Özge
dc.contributor.authorYüksel Durmaz, Yasemin
dc.date.accessioned2022-08-12T10:13:53Z
dc.date.available2022-08-12T10:13:53Z
dc.date.issued2022
dc.departmentİstanbul Medipol Üniversitesi, Mühendislik ve Doğa Bilimleri Fakültesi, Biyomedikal Mühendisliği Bölümü
dc.departmentİstanbul Medipol Üniversitesi, Rektörlük, Sağlık Bilim ve Teknolojileri Araştırma Enstitüsü
dc.description.abstractRecently developed nanocones (NCs), which are inclusion complexes that are made up of cyclodextrins (CDs) and perfluorocarbons (PFCs), have shown promising results in nanoparticle-mediated histotripsy (NMH) applications due to stable inclusion complexation, PFC quantification, simple synthesis, and processing. FDA-approved ?CD and its modified versions such as low-degree methylated ?CD have been previously demonstrated as prime examples of structures capable of accommodating PFC molecules. However, the complex formation potential of different CDs with various cavity sizes in the presence of PFC molecules, and their consequent aggregation, needs to be explored. In the present study, the complexation and aggregation potential of some natural CDs and their respective derivatives either exposed to perfluoropentane (PFP) or perfluorohexane (PFH) were studied in the wet lab. Computational studies were also performed to account for the limitations faced in PFC quantification because of the low optical density of PFCs within the CD complex and to discover the best candidate for NMH applications. All results revealed that only ?CD and ?CD (except HM?CD) derivatives form an inclusion complex with PFCs and only LM?CD, ?CD, and ?CD form nanocone clusters (NCCs), which precipitate and can be collected for use. Furthermore, the data collectively show that ?CD and PFCs have the best complexation due to stable complex formation, ease of production, and product recovery, especially with PFH as a more suitable candidate due to its high boiling point, which allows workability during synthesis. Although simulations suggest that highly stable inclusion complexes exist, such as HP?CD, the cluster formation resulting in precipitation is hindered due to the high solubility of CDs in water, resulting in intangible yields to work with even after employing general laboratory recovery methods. Conclusively, histotripsy cavitation experiments successfully showed a decreased cavitation threshold among optimal NCC candidates that were identified, supporting their use in NMH.
dc.description.sponsorshipUnited States Department of Health & Human Services National Institutes of Health (NIH) - USA NIH National Institute of Biomedical Imaging & Bioengineering (NIBIB)en_US
dc.identifier.citationKaymaz, B., Mustafa, W., Hall, S., Vlaisavljevich, E., Şensoy, Ö. ve Yüksel Durmaz, Y. (2022). Experimental and computational investigation of clustering behavior of cyclodextrin-perfluorocarbon inclusion complexes as effective histotripsy agents. Molecular Pharmaceutics, 19(8), 2907-2921. https://doi.org/10.1021/acs.molpharmaceut.2c00268
dc.identifier.doi10.1021/acs.molpharmaceut.2c00268
dc.identifier.endpage2921
dc.identifier.issn1543-8384
dc.identifier.issn1543-8392
dc.identifier.issue8
dc.identifier.pmid35839291
dc.identifier.scopus2-s2.0-85135421625
dc.identifier.scopusqualityQ1
dc.identifier.startpage2907
dc.identifier.urihttps://doi.org/10.1021/acs.molpharmaceut.2c00268
dc.identifier.urihttps://hdl.handle.net/20.500.12511/9648
dc.identifier.volume19
dc.identifier.wos000830809700001en_US
dc.identifier.wosqualityQ1
dc.indekslendigikaynakWeb of Science
dc.indekslendigikaynakScopus
dc.indekslendigikaynakPubMed
dc.institutionauthorKaymaz, Betül
dc.institutionauthorMustafa, Waleed
dc.institutionauthorŞensoy, Özge
dc.institutionauthorYüksel Durmaz, Yasemin
dc.language.isoen
dc.publisherAmerican Chemical Society
dc.relation.ispartofMolecular Pharmaceuticsen_US
dc.relation.publicationcategoryMakale - Uluslararası Hakemli Dergi - Kurum Öğretim Elemanı
dc.relation.tubitakinfo:eu-repo/grantAgreement/TUBITAK/SOBAG/118Z324
dc.rightsinfo:eu-repo/semantics/embargoedAccess
dc.subjectCyclodextrin
dc.subjectHistotripsy
dc.subjectNanocones
dc.subjectNanoparticle-Mediated Histotripsy
dc.subjectPerfluorocarbon
dc.titleExperimental and computational investigation of clustering behavior of cyclodextrin-perfluorocarbon inclusion complexes as effective histotripsy agents
dc.typeArticle

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