Investigation of ibuprofen loading in PEG-PLGA-PEG micelles by coarse-grained DPD simulations

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dc.authoridKacar, Gokhan/0000-0003-0359-3211
dc.contributor.authorYildiz, Mihriban
dc.contributor.authorKacar, Gokhan
dc.date.accessioned2024-06-12T11:18:45Z
dc.date.available2024-06-12T11:18:45Z
dc.date.issued2021
dc.departmentTrakya Üniversitesien_US
dc.description.abstractInvestigation of drug encapsulation behavior is important to design efficient drug delivery materials. With this aim, we strive to perform coarse-grained simulations to study the drug encapsulation behavior of a particular micelle-forming co-polymer composed of hydrophilic PEG and hydrophobic PLGA units. The study is performed at the mesoscopic scale to overcome the time scale problem associated with the micelle formation at the atomistic scale. The structure and drug loading properties are studied at different polymer concentrations and drug loading. The resulting micellar structures that are obtained via dissipative particle dynamics simulations are observed to encapsulate the drug with high efficiency values. Moreover, the DPD simulations performed in this work reveal physical insight on the interactions and molecular structure as well as the temporal evolution of the encapsulation process. Our work can be considered as an attempt to computationally characterize the drug encapsulation behavior and structure of a prospective drug delivery system.en_US
dc.identifier.doi10.1557/s43580-021-00073-6
dc.identifier.endpage694en_US
dc.identifier.issn2059-8521
dc.identifier.issue28en_US
dc.identifier.scopus2-s2.0-85106529604en_US
dc.identifier.scopusqualityQ3en_US
dc.identifier.startpage689en_US
dc.identifier.urihttps://doi.org/10.1557/s43580-021-00073-6
dc.identifier.urihttps://hdl.handle.net/20.500.14551/24949
dc.identifier.volume6en_US
dc.identifier.wosWOS:000654812200001en_US
dc.identifier.wosqualityN/Aen_US
dc.indekslendigikaynakWeb of Scienceen_US
dc.indekslendigikaynakScopusen_US
dc.language.isoenen_US
dc.publisherSpringer Heidelbergen_US
dc.relation.ispartofMrs Advancesen_US
dc.relation.publicationcategoryMakale - Uluslararası Hakemli Dergi - Kurum Öğretim Elemanıen_US
dc.rightsinfo:eu-repo/semantics/closedAccessen_US
dc.subjectDrug-Deliveryen_US
dc.subjectPolymeric Micellesen_US
dc.subjectEncapsulationen_US
dc.subjectNanocarriersen_US
dc.subjectReleaseen_US
dc.subjectHydrogelen_US
dc.subjectEraen_US
dc.titleInvestigation of ibuprofen loading in PEG-PLGA-PEG micelles by coarse-grained DPD simulationsen_US
dc.typeArticleen_US

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