Two-dimensional infrared population transfer spectroscopy for enhancing structural markers of proteins.

ABSTRACT: We propose the possibility of using vibrational population transfer to enhance the structural markers for protein motifs that occur in two-dimensional infrared spectroscopy. We demonstrate the potential of this method by calculating the spectrum of the trpzip2 beta-hairpin peptide, a system that is small enough to allow accurate simulation of its two-dimensional infrared spectra, including vibrational population transfer induced by a fluctuating solvent. The results show that under selected experimental conditions, in particular by using perpendicular polarization and finite waiting times, the cross peaks that constitute the well-known Z-shape marker for beta-sheet structure in two-dimensional spectra are strongly enhanced. This enhancement is shown to result from vibrational population tr

SUBMITTER: Jansen Tl 

PROVIDER: S-EPMC2242754 | biostudies-literature | 2008 Mar

REPOSITORIES: biostudies-literature