Matches in SemOpenAlex for { <https://semopenalex.org/work/W4313013437> ?p ?o ?g. }
Showing items 1 to 65 of
65
with 100 items per page.
- W4313013437 endingPage "258" @default.
- W4313013437 startingPage "258" @default.
- W4313013437 abstract "Loading of the anti-cancer drug 6-gingerol on graphene, graphene oxide, and Fe3O4 nanocarriers is investigated using Monte Carlo (MC) adsorption locator simulations in the gases phase. Molecular dynamics (MD) simulations are used in aqueous medium and neutral pH for the adsorption of 6-gingerol. In this study, the 6-gingerol loading ability of graphene oxide is studied as a function of the oxidation extent of graphene oxide (GO), and the effect of functional groups on drug loading properties is investigated. MC adsorption locator energy calculations which were done in a gaseous space, indicate that the 6-gingerol molecule prefers to be adsorbed at the less oxidized sites of the graphene oxide framework. The linear hydrophobic chain of the 6-gingerol molecule prefers to bind to the aromatic region of graphene oxide. In contrast, it has the least affinity for the Fe3O4 nanoparticle surface, which is indicated by the adsorption energies. The MD simulations were carried out in an aqueous medium under neutral pH. To determine the nature of the 6-gingerol attachment and release in the aqueous medium, radial distribution functions (RDF) were obtained from MD simulations. The RDF values suggest that the physical distance of separation depends on the oxidation extent of the graphene oxide. The MD presented in this study will help in fine-tuning nanocarrier synthetic methods for gingerol delivery applications." @default.
- W4313013437 created "2023-01-05" @default.
- W4313013437 date "2022-06-10" @default.
- W4313013437 modified "2023-10-14" @default.
- W4313013437 title "Molecular Simulations of 6-Gingerol Loading on Graphene and Graphene Oxide for Drug Delivery Applications" @default.
- W4313013437 doi "https://doi.org/10.33263/briac133.258" @default.
- W4313013437 hasPublicationYear "2022" @default.
- W4313013437 type Work @default.
- W4313013437 citedByCount "0" @default.
- W4313013437 crossrefType "journal-article" @default.
- W4313013437 hasBestOaLocation W43130134371 @default.
- W4313013437 hasConcept C127413603 @default.
- W4313013437 hasConcept C147597530 @default.
- W4313013437 hasConcept C150394285 @default.
- W4313013437 hasConcept C155672457 @default.
- W4313013437 hasConcept C159467904 @default.
- W4313013437 hasConcept C171250308 @default.
- W4313013437 hasConcept C178790620 @default.
- W4313013437 hasConcept C18150654 @default.
- W4313013437 hasConcept C184651966 @default.
- W4313013437 hasConcept C185592680 @default.
- W4313013437 hasConcept C192562407 @default.
- W4313013437 hasConcept C2779820397 @default.
- W4313013437 hasConcept C2779851234 @default.
- W4313013437 hasConcept C30080830 @default.
- W4313013437 hasConcept C32909587 @default.
- W4313013437 hasConcept C42360764 @default.
- W4313013437 hasConcept C59593255 @default.
- W4313013437 hasConceptScore W4313013437C127413603 @default.
- W4313013437 hasConceptScore W4313013437C147597530 @default.
- W4313013437 hasConceptScore W4313013437C150394285 @default.
- W4313013437 hasConceptScore W4313013437C155672457 @default.
- W4313013437 hasConceptScore W4313013437C159467904 @default.
- W4313013437 hasConceptScore W4313013437C171250308 @default.
- W4313013437 hasConceptScore W4313013437C178790620 @default.
- W4313013437 hasConceptScore W4313013437C18150654 @default.
- W4313013437 hasConceptScore W4313013437C184651966 @default.
- W4313013437 hasConceptScore W4313013437C185592680 @default.
- W4313013437 hasConceptScore W4313013437C192562407 @default.
- W4313013437 hasConceptScore W4313013437C2779820397 @default.
- W4313013437 hasConceptScore W4313013437C2779851234 @default.
- W4313013437 hasConceptScore W4313013437C30080830 @default.
- W4313013437 hasConceptScore W4313013437C32909587 @default.
- W4313013437 hasConceptScore W4313013437C42360764 @default.
- W4313013437 hasConceptScore W4313013437C59593255 @default.
- W4313013437 hasIssue "3" @default.
- W4313013437 hasLocation W43130134371 @default.
- W4313013437 hasOpenAccess W4313013437 @default.
- W4313013437 hasPrimaryLocation W43130134371 @default.
- W4313013437 hasRelatedWork W1981501275 @default.
- W4313013437 hasRelatedWork W2006299863 @default.
- W4313013437 hasRelatedWork W2026339979 @default.
- W4313013437 hasRelatedWork W2047869288 @default.
- W4313013437 hasRelatedWork W2101760773 @default.
- W4313013437 hasRelatedWork W2104776583 @default.
- W4313013437 hasRelatedWork W2401100791 @default.
- W4313013437 hasRelatedWork W2980574643 @default.
- W4313013437 hasRelatedWork W3006014150 @default.
- W4313013437 hasRelatedWork W3126159046 @default.
- W4313013437 hasVolume "13" @default.
- W4313013437 isParatext "false" @default.
- W4313013437 isRetracted "false" @default.
- W4313013437 workType "article" @default.