Surface Coating Structure and Its Interaction with Cytochrome c in EG6-Coated Nanoparticles Varies with Surface Curvature

Clyde A. Daly, Caley Allen, Nikita Rozanov, Gene Chong, Eric S. Melby, Thomas R. Kuech, Samuel E. Lohse, Catherine J. Murphy, Joel A. Pedersen, Rigoberto Hernandez

Research output: Contribution to journalArticlepeer-review


The composition, orientation, and conformation of proteins in biomolecular coronas acquired by nanoparticles in biological media contribute to how they are identified by a cell. While numerous studies have investigated protein composition in biomolecular coronas, relatively little detail is known about how the nanoparticle surface influences the orientation and conformation of the proteins associated with them. We previously showed that the peripheral membrane protein cytochrome c adopts preferred poses relative to negatively charged 3-mercaptopropionic acid (MPA)-gold nanoparticles (AuNPs). Here, we employ molecular dynamics simulations and complementary experiments to establish that cytochrome c also assumes preferred poses upon association with nanoparticles functionalized with an uncharged ligand, specifically ω-(1-mercaptounde-11-cyl)hexa(ethylene glycol) (EG6). We find that the display of the EG6 ligands is sensitive to the curvature of the surface - and, consequently, the effective diameter of the nearly spherical nanoparticle core - which in turn affects the preferred poses of cytochrome c.

Original languageEnglish (US)
Pages (from-to)5030-5039
Number of pages10
Issue number18
StatePublished - May 12 2020

ASJC Scopus subject areas

  • Materials Science(all)
  • Condensed Matter Physics
  • Surfaces and Interfaces
  • Spectroscopy
  • Electrochemistry


Dive into the research topics of 'Surface Coating Structure and Its Interaction with Cytochrome c in EG<sub>6</sub>-Coated Nanoparticles Varies with Surface Curvature'. Together they form a unique fingerprint.

Cite this