Spectroscopic evidence for the formation of helical structures in gas-phase short peptide chains

J Phys Chem A. 2007 Aug 9;111(31):7347-54. doi: 10.1021/jp070681l. Epub 2007 May 27.

Abstract

Aminoisobutyric acid (Aib) is a synthetic amino acid known to favor the formation of 3(10) helical structures in condensed phases, namely, crystals. The intrinsic character of these helicogenic properties has been investigated on the Ac-Aib-Phe-Aib-NH2 molecule under isolated conditions, namely, in the gas phase, both experimentally by double-resonance IR/UV spectroscopy and theoretically by quantum chemistry. A convergent set of evidence, based on energetic, IR, and UV spectroscopic data as well as on analogies with the similar peptide Ac-Ala-Phe-Ala-NH2 previously studied, enables us to conclude the formation of an incipient 310 helix in these isolated systems.

MeSH terms

  • Aminoisobutyric Acids / chemistry*
  • Crystallization
  • Gases / chemistry*
  • Infrared Rays
  • Molecular Structure
  • Peptides / chemistry*
  • Protein Structure, Secondary
  • Quantum Theory*
  • Spectrum Analysis
  • Ultraviolet Rays

Substances

  • Aminoisobutyric Acids
  • Gases
  • Peptides