Psi-angle dependence of geminal proton–carbonyl-13C coupling constants in peptides. A theoretical investigation†

Mohanakrishnan, P and Easwaran, KRK (1979) Psi-angle dependence of geminal proton–carbonyl-13C coupling constants in peptides. A theoretical investigation†. In: Organic Magnetic Resonance, 12 (4). pp. 196-198.

PDF Psi.pdf - Published Version Restricted to Registered users only Download (304kB) | Request a copy

Abstract

Theoretical calculations of the geminal carbonyl-13C- proton coupling constant, 2J(C′H), in α-amino acids have been carried out using Dirac Vector model and Penney-Dirac bond order formulations. The results indicate that the couplings are dependent on the backbone torsion angle psi (ψ) of the amino acid residues in peptides. The meagre available experimental data seem to support the theoretical findings.

Item Type:	Journal Article
Publication:	Organic Magnetic Resonance
Publisher:	John Wiley & Sons
Additional Information:	Copyright of this article belongs to John Wiley & Sons.
Department/Centre:	Division of Biological Sciences > Molecular Biophysics Unit
Date Deposited:	01 Dec 2010 09:30
Last Modified:	01 Dec 2010 09:30
URI:	http://eprints.iisc.ac.in/id/eprint/34195

Actions (login required)

View Item