The Library
Probing diameter-selective solubilisation of carbon nanotubes by reversible cyclic peptides using molecular dynamics simulations
Tools
Tools
Tools
Friling, S. R., Notman, Rebecca and Walsh, Tiffany R.. (2010) Probing diameter-selective solubilisation of carbon nanotubes by reversible cyclic peptides using molecular dynamics simulations. Nanoscale, Vol.2 (No.1). pp. 98-106. ISSN 2040-3364
Full text not available from this repository.
Official URL: http://dx.doi.org/10.1039/b9nr00226j
Abstract
Molecular dynamics simulations are used to explore the encapsulation behaviour of reversible cyclic peptides when adsorbed onto single-walled carbon nanotubes (CNTs) in aqueous solution. Our findings suggest that CNT encapsulation via cyclisation of a single peptide chain is relatively less likely, compared with encapsulation vies two-chain complexes. These two-chain complexes comprise pairings of the motifs identified for single-chain adsorption. Our simulation data are compared with existing experimental findings [A. Ortiz-Acevedo el al., J. Am. Chem. Soc., 2005. 127, 9512], for relevant CNT diameters, and are found to be consistent with the experimental results. Our data help to explain the limited diameter selectivity reported by Ortiz-Acevedo et al. These findings should help in the optimisation and future design of peptides capable of enhanced selectivity for specific CNT diameters.
| Item Type: | Journal Article |
|---|---|
| Subjects: | Q Science > QA Mathematics > QA76 Electronic computers. Computer science. Computer software Q Science > QD Chemistry T Technology > TA Engineering (General). Civil engineering (General) |
| Divisions: | Faculty of Science > Chemistry Faculty of Science > Centre for Scientific Computing |
| Library of Congress Subject Headings (LCSH): | Molecular dynamics, Nanotubes -- Solubility, Peptides, Computer simulations, Adsorption |
| Journal or Publication Title: | Nanoscale |
| Publisher: | Royal Society of Chemistry |
| ISSN: | 2040-3364 |
| Date: | January 2010 |
| Volume: | Vol.2 |
| Number: | No.1 |
| Number of Pages: | 9 |
| Page Range: | pp. 98-106 |
| Identification Number: | 10.1039/b9nr00226j |
| Status: | Peer Reviewed |
| Publication Status: | Published |
| Access rights to Published version: | Restricted or Subscription Access |
| Funder: | Engineering and Physical Sciences Research Council (EPSRC) |
| Grant number: | EP/E02095X/1 (EPSRC) |
| URI: | http://wrap.warwick.ac.uk/id/eprint/6300 |
Data sourced from Thomson Reuters' Web of Knowledge
Actions (login required)
 |
View Item |
