Paper Title:
A Basic Study of the CNT-Biomolecule Conjugation by Molecular Dynamics Analysis
  Abstract

This study is about the underlying conjugation mechanism between carbon nanotube and biomolecule by molecular dynamics. In order to know about the conjugation mechanism between carbon nanotube and biomolecule, molecular dynamics simulation between carbon nanotube and water molecules was taken first and then molecular dynamics simulation between biomolecules and water molecules was taken. At simulation between carbon nanotube and water molecules, kinetic energy and potential energy became decreased with time and it means that the distance between carbon nanotube and water molecules becomes distant with time by van der Waals force and hydrophobic force. Simulation results between biomolecules and water molecules are also same as the results of carbon nanotube and water molecules simulation. From these two simulations, the conjugation mechanism between carbon nanotube and biomolecules can be predicted. Also, from simulation results between carbon nanotube and biomolecules, the distance between carbon nanotube and biomolecules becames close and it supports previous two simulation results. From these results, we can know that biomolecules enter into the carbon nanotube's cavity because of van der Waals force and hydrophobic force.

  Info
Periodical
Key Engineering Materials (Volumes 381-382)
Edited by
Wei Gao, Yasuhiro Takaya, Yongsheng Gao and Michael Krystek
Pages
361-364
DOI
10.4028/www.scientific.net/KEM.381-382.361
Citation
S.M. Kim, H. K. Kweon, "A Basic Study of the CNT-Biomolecule Conjugation by Molecular Dynamics Analysis ", Key Engineering Materials, Vols. 381-382, pp. 361-364, 2008
Online since
June 2008
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Price
$32.00
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