Department of Chemical and Geological Sciences, University of Modena and Reggio Emilia , Via G. Campi 103, 41125 Modena, Italy.
Institute of Applied Physics "Nello Carrara", National Research Council , Via Madonna del Piano 10, 50019 Sesto Fiorentino, Italy.
J Phys Chem B. 2017 Oct 19;121(41):9532-9540. doi: 10.1021/acs.jpcb.7b07492. Epub 2017 Oct 6.
In this work, the adsorption of cytochrome C (CytC) on wet {100}, {111}, {110}, 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.
在这项工作中，通过计算模拟研究了细胞色素 C（CytC）在湿的{100}、{111}、{110}和{120}银表面上的吸附。还研究了聚乙烯吡咯烷酮（PVP）涂层的影响。主要得到的结果可以概括为：（a）CytC 与湿的裸露高指数面强烈相互作用，而由于表面的强烈水结构，在{100}表面上的吸附是不利的；（b）突出了非选择性蛋白质吸附机制；（c）在吸附过程中 CytC 的天然结构得到很好的保留；（d）细胞色素 C 的血红素基团从未被发现与表面直接相互作用；（e）与 PVP 封端的{100}表面的相互作用较弱且具有特异性。这些结果可用于更好地控制工程纳米表面的生物反应，从而开发出改进的诊断工具。
