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dc.contributor.authorCheung, David L.
dc.date.accessioned2016-05-12T09:02:06Z
dc.date.available2016-05-12T09:02:06Z
dc.date.issued2012-05-16
dc.identifier.citationCheung, David L. (2012) 'Molecular simulation of hydrophobin adsorption at an oil-water interface'. Langmuir, 28 (23):8730-8736.en_IE
dc.identifier.issn1520-5827
dc.identifier.urihttp://hdl.handle.net/10379/5774
dc.descriptionJournal articleen_IE
dc.description.abstractHydrophobins are small, amphiphilic proteins expressed by strains of filamentous fungi. They fulfill a number of biological functions, often related to adsorption at hydrophobic interfaces, and have been investigated for a number of applications in materials science and biotechnology. In order to understand the biological function and applications of these proteins, a microscopic picture of the adsorption of these proteins at interfaces is needed. Using molecular dynamics simulations with a chemically detailed coarse-grained potential, the behavior of typical hydrophobins at the water octane interface is studied. Calculation of the interfacial adsorption strengths indicates that the adsorption is essentially irreversible, with adsorption strengths of the order of 100 kBT (comparable to values determined for synthetic nanoparticles but significantly larger than small molecule surfactants and biomolecules). The protein structure at the interface is unchanged at the interface, which is consistent with the biological function of these proteins. Comparison of native proteins with pseudoproteins that consist of uniform particles shows that the surface structure of these proteins has a large effect on the interfacial adsorption strengths, as does the flexibility of the protein.en_IE
dc.description.sponsorshipLeverhulme Trust (ECF/2010/0254)en_IE
dc.formatapplication/pdfen_IE
dc.language.isoenen_IE
dc.publisherAmerican Chemical Societyen_IE
dc.relation.ispartofLangmuiren
dc.subjectFungien_IE
dc.subjectHydrophobinsen_IE
dc.subjectFlexibilityen_IE
dc.titleMolecular simulation of hydrophobin adsorption at an oil-water interfaceen_IE
dc.typeArticleen_IE
dc.date.updated2016-04-28T13:52:10Z
dc.identifier.doi10.1021/la300777q
dc.local.publishedsourcehttp://dx.doi.org/10.1021/la300777qen_IE
dc.description.peer-reviewedpeer-reviewed
dc.contributor.funder|~|1267880|~|
dc.internal.rssid8544473
dc.local.contactDavid Cheung, School Of Chemistry, Nuig. Email: david.cheung@nuigalway.ie
dc.local.copyrightcheckedNo
dc.local.versionACCEPTED
nui.item.downloads359


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