Tribological effects on DNA translocation in a nanochannel coated with a self-assembled monolayer

J Phys Chem B. 2010 Dec 30;114(51):17172-6. doi: 10.1021/jp108865q. Epub 2010 Dec 3.

Abstract

A biomimetic nanochannel coated with a self-assembled monolayer (SAM) can be used for sensing and analyzing biomolecules. The interaction between a transported biomolecule and a SAM governs the mechanically or electrically driven motion of the molecule. To investigate the translocation dynamics of a biomolecule, we performed all-atom molecular dynamics simulations on a single-stranded DNA in a solid-state nanochannel coated with a SAM that consists of octane or octanol polymers. Simulation results demonstrate that the interaction between DNA and a hydrophobic or a hydrophilic SAM is effectively repulsive or adhesive, respectively, resulting in different translocation dynamics of DNA. Therefore, with proper designs of SAMs coated on a channel surface, it is possible to control the translocation dynamics of a biomolecule. This work also demonstrates that traditional tribology methods can be deployed to study a biological or biomimetic transport process.

Publication types

  • Research Support, N.I.H., Extramural

MeSH terms

  • Biomimetic Materials / chemistry
  • DNA, Single-Stranded / chemistry*
  • DNA, Single-Stranded / metabolism
  • Hydrophobic and Hydrophilic Interactions
  • Molecular Dynamics Simulation
  • Nanostructures / chemistry*

Substances

  • DNA, Single-Stranded