Sequence-directed organization of beta-peptides in self-assembled monolayers

J Phys Chem B. 2009 Jul 16;113(28):9379-85. doi: 10.1021/jp903341u.

Abstract

The sequence-directed organization of self-assembled monolayers of amphiphilic beta-peptides adsorbed on gold surfaces is studied using Monte Carlo simulations. A phenomenological model is presented in which each (helical) molecule is represented by a rigid nanorod; side groups are placed at appropriate locations. This model can distinguish between globally amphiphilic (GA) and nonglobally amphiphilic (iso-GA) sequence isomers. The simulations show that the GA isomers have a high degree of orientational order that is not exhibited by the iso-GA isomers, which is consistent with experiment (Pomerantz et al. Chem. Mater. 2007, 19, 4436). The effect of surface coverage and relative strength of electrostatic, hydrophilic, and hydrophobic interactions on the self-assembly of beta-peptides is quantified.

Publication types

  • Research Support, Non-U.S. Gov't

MeSH terms

  • Adsorption
  • Amino Acid Sequence
  • Computer Simulation
  • Gold / chemistry*
  • Hydrophobic and Hydrophilic Interactions
  • Isomerism
  • Models, Molecular
  • Monte Carlo Method
  • Peptides / chemistry*
  • Protein Structure, Secondary
  • Static Electricity
  • Surface Properties

Substances

  • Peptides
  • Gold