Journal
JOURNAL OF PHYSICAL CHEMISTRY B
Volume 121, Issue 41, Pages 9532-9540Publisher
AMER CHEMICAL SOC
DOI: 10.1021/acs.jpcb.7b07492
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Funding
- Tuscany Region
- MIUR Italian Ministero dell'Istruzione, dell'Universita e della Ricerca (MIUR) Grant [2010C4R8M8_002]
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In this work, the adsorption of cytochrome C (CytC) on wet {100}, {111}, 0101, and {120} silver surfaces has been investigated by computational simulations. The effect of polyvinylpyrrolidone (PVP) coating has also been studied. The main results obtained can be summarized as follow: (a) CytC strongly interacts with wet bare high index facets, while the adsorption over the {100} surface is disfavored due to the strong water structuring at the surface; (b) a nonselective protein adsorption mechanism is highlighted; (c) the native structure of CytC is well preserved during adsorption; (d) the heme group of CytC is never found to interact directly with the surface; (e) the interactions with the PVP-capped {100} surface is weak and specific. These results can be exploited to better control biological responses at engineered nanosurface, allowing the development of improved diagnostic tools.
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