Jump to main content
Jump to site search

Issue 30, 2013
Previous Article Next Article

Dissociation energies of Cα–H bonds in amino acids – a re-examination

Author affiliations

Abstract

The Cα–H bond dissociation energies (BDE) in glycine and alanine peptide models have been assessed using selected theoretical methods from the G3 and, in part, G4 family. The BDE values (and thus the stability of the respective Cα peptide radicals) are shown to depend significantly on the level of theory, the size of the model system and the coverage of conformational space. For the largest dipeptide models chosen here, BDE(Cα–H) values of +363.8 kJ mol−1 (glycine) and +372.3 kJ mol−1 (alanine) have been obtained at G3B3 level. This reconfirms earlier findings that glycyl peptide radicals are more stable than radicals derived from alanine or any other amino acid carrying substituents at the Cα position.

Graphical abstract: Dissociation energies of Cα–H bonds in amino acids – a re-examination

Back to tab navigation

Supplementary files

Publication details

The article was received on 11 Feb 2013, accepted on 20 May 2013 and first published on 13 Jun 2013


Article type: Paper
DOI: 10.1039/C3RA42115E
RSC Adv., 2013,3, 12403-12408

  •   Request permissions

    Dissociation energies of Cα–H bonds in amino acids – a re-examination

    J. Hioe, M. Mosch, D. M. Smith and H. Zipse, RSC Adv., 2013, 3, 12403
    DOI: 10.1039/C3RA42115E

Search articles by author

Spotlight

Advertisements