Anisotropic protein diffusion on nanosurface. Issue 8 (19th February 2020)

• Record Type: Journal Article
• Authors: Liu, Yang; Song, Xiaohan; Yang, Yanmei; Li, Yong-Qiang; Zhao, Mingwen; Mu, Yuguang; Li, Weifeng
• Is Part Of: Nanoscale. Volume 12:Issue 8(2020)
• Page Start: 5209
• Page End: 5216
• Publication Date: 2020-02-19
• Subjects: Nanoscience -- Periodicals; Nanotechnology -- Periodicals; 620.505
• DOI: 10.1039/c9nr08555f
• Languages: English
• ISSNs: 2040-3364

Abstract

Abstract : The migration of protein is regulated by the puckered surface of α-PC, resulting in quick and highly directional diffusion. In combination with the bio-compatibility, α-PC is expected to be a novel functional drug delivery agent in biomedical research. Abstract : The unique puckered structure of α-phase phosphorene carbide (α-PC) results in anisotropic electronic and thermal transporting properties. In the present work, the interactions between a model protein, villin headpiece sub-domain (HP35), and the surface of α-PC and monolayer black phosphorus (MBP, another puckered nanostructure) were explored by molecular dynamic (MD) simulations. It is found that HP35 diffuses quickly only along the zigzag direction of the α-PC surface. On the MBP surface, HP35 migrates mainly along the zigzag direction but can also easily stride over the ridges and grooves along the armchair direction. Moreover, the mild binding strength between α-PC and HP35 does not cause distortion in the protein structure. The intrinsic biocompatibility of α-PC, which is distinct from several other widely studied nanomaterials, such as carbon nanotubes, graphene and MoS2, makes it a promising candidate in functional biomedical applications.