These tools will no longer be maintained as of December 31, 2024. Archived website can be found here. PubMed4Hh GitHub repository can be found here. Contact NLM Customer Service if you have questions.


Pubmed for Handhelds

PUBMED FOR HANDHELDS

Search MEDLINE/PubMed

  • Title: Amide vibrations and their conformational dependences in β-peptide.
    Author: Zhao J, Wang J.
    Journal: J Phys Chem B; 2010 Dec 09; 114(48):16011-9. PubMed ID: 21070067.
    Abstract:
    The characteristics of the amide-A and amide-I modes in a β-homoalanine dipeptide (β-HADP) have been examined as a function of backbone dihedral angles. The harmonic frequencies were obtained using the density functional theory. The anharmonic frequencies and diagonal anharmonicities were obtained by using the Morse potential. Local-mode frequencies and intermode couplings were obtained using the computed normal-mode frequencies and eigenvectors. It was found that the vibrational frequencies for the two types of amide modes are both conformational-dependent. The inter-amide-A and inter-amide-I couplings in the β-peptides were predicted to be generally weaker than those in the α-peptides. Structural bases of the amide-A and amide-I local modes in the β-peptides are discussed.
    [Abstract] [Full Text] [Related] [New Search]