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dc.contributor.authorZelzer, Mischa
dc.contributor.authorAngelerou, Maria G.F.
dc.contributor.otherMarlow, Maria
dc.date.accessioned2019-02-14T12:04:52Z
dc.date.available2019-02-14T12:04:52Z
dc.date.issued2019-02-14
dc.identifier.urihttps://rdmc.nottingham.ac.uk/handle/internal/6188
dc.description.abstractAmong the diversity of existing supramolecular hydrogels, nucleic acid-based hydrogels are of particular interest for potential drug delivery and tissue engineering applications because of their inherent biocompatibility. Hydrogel performance is directly related to the nanostructure and the self-assembly mechanism of the material, an aspect that is not well-understood for nucleic acid-based hydrogels in general and has not yet been explored for cytosine-based hydrogels in particular. Herein, we use a broad range of experimental characterization techniques along with molecular dynamics (MD) simulation to demonstrate the complementarity and applicability of both approaches for nucleic acid-based gelators in general and propose the self-assembly mechanism for a novel supramolecular gelator, N4-octanoyl-2′-deoxycytidine. The experimental data and the MD simulation are in complete agreement with each other and demonstrate the formation of a hydrophobic core within the fibrillar structures of these mainly water-containing materials. The characterization of the distinct duality of environments in this cytidine-based gel will form the basis for further encapsulation of both small hydrophobic drugs and biopharmaceuticals (proteins and nucleic acids) for drug delivery and tissue engineering applications.en_UK
dc.language.isoenen_UK
dc.publisherACS Publicationsen_UK
dc.relation.urihttps://pubs.acs.org/doi/10.1021/acs.langmuir.8b00646en_UK
dc.relation.urihttp://doi.org/10.1021/acs.langmuir.8b00646en_UK
dc.subject.lcshColloids in medicineen_UK
dc.subject.lcshGels (Pharmacy)en_UK
dc.subject.meshHydrogelsen_UK
dc.titleSupramolecular Nucleoside-Based Gel: Molecular Dynamics Simulation and Characterization of Its Nanoarchitecture and Self-Assembly Mechanismen_UK
dc.identifier.doihttp://doi.org/10.17639/nott.6181
dc.subject.freesupramolecular gels, mechanism of self-assemblyen_UK
dc.subject.jacsSubjects Allied to Medicine::Pharmacology, toxicology & pharmacy::Pharmacology, toxicology & pharmacy not elsewhere classifieden_UK
dc.subject.jacsPhysical sciences::Chemistry::Pharmaceutical chemistryen_UK
dc.subject.lcR Medicine::RS Pharmacy and materia medicaen_UK
uon.divisionUniversity of Nottingham, UK Campusen_UK
uon.funder.controlledEngineering & Physical Sciences Research Councilen_UK
uon.datatypeexcel filesen_UK
uon.collectionmethodinstrumentsen_UK
uon.institutes-centresUniversity of Nottingham, UK Campusen_UK


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