Proton NMR spectra of oxytocin in aqueous solution over the temperature range 0-60 °C were measured, and the vicinal coupling constants and chemical shifts of α and β protons and their temperature dependencies were derived. The possible fixed dihedral angles of the Cα-Cβ bonds in the cystyl region of the ring and the populations of several interconverting staggered rotamers were calculated. The small temperature dependencies suggest that there are no marked changes in conformation over the temperature range studied. These results add to our knowledge of the dynamic conformation of oxytocin in solution and are useful in considering possible biologically active conformers.
ASJC Scopus subject areas
- Colloid and Surface Chemistry