Journal
JOURNAL OF MOLECULAR GRAPHICS & MODELLING
Volume 46, Issue -, Pages 83-92Publisher
ELSEVIER SCIENCE INC
DOI: 10.1016/j.jmgm.2013.09.012
Keywords
Non-covalent functionalization; Single-walled carbon nanotubes (SWCNTs); Peptide; Molecular design; Molecular dynamics
Categories
Funding
- National Natural Science Foundation of China [21003037]
- National Science Foundation of the Education Department of Henan Province [13A150085]
Ask authors/readers for more resources
Single-walled carbon nanotube (SWCNT) is one of the most popular low-dimensional carbon materials in material science, nanomedicine, and nanoscale electronics. Yet the application of the SWCNTs was hindered by the self-aggregation. To purify and disperse the SWCNTs, non-covalent wrapping is one of the effective options to overcome such defects. In this work, two kinds of short peptides were designed to facilitate the modification of large-diameter SWCNT. The design of the peptide was carried out in a stepwise manner. The effective residues of helix-rich and sheet-rich proteins on SWCNT were studied at the first step, and then a coarse model peptide composed of the key adsorption residues above was built to investigate the adsorption dynamics on SWCNT. In the end, the residues include long alkyl side chain and that include aromatic rings were found to play key roles on the adsorption of protein/peptide on hydrophobic SWCNT. And two peptides rich in the long alkyl chain and aromatic rings were constructed respectively. The predominant adsorption capabilities of the two kinds of peptides were discerned by the adsorption details. (C) 2013 Elsevier Inc. All rights reserved.
Authors
I am an author on this paper
Click your name to claim this paper and add it to your profile.
Reviews
Recommended
No Data Available