Details

Autor(en) / Beteiligte

• Schinle, Florian
• Jacob, Christoph R
• Wolk, Arron B
• Greisch, Jean-François
• Vonderach, Matthias
• Weis, Patrick
• Hampe, Oliver
• Johnson, Mark A
• Kappes, Manfred M

Titel

Ion Mobility Spectrometry, Infrared Dissociation Spectroscopy, and ab Initio Computations toward Structural Characterization of the Deprotonated Leucine-Enkephalin Peptide Anion in the Gas Phase

Ist Teil von

• The journal of physical chemistry. A, Molecules, spectroscopy, kinetics, environment, & general theory, 2014-09, Vol.118 (37), p.8453-8463

Ort / Verlag

United States: American Chemical Society

Erscheinungsjahr

2014

Link zum Volltext

Quelle

MEDLINE

Beschreibungen/Notizen

• Although the sequencing of protonated proteins and peptides with tandem mass spectrometry has blossomed into a powerful means of characterizing the proteome, much less effort has been directed at their deprotonated analogues, which can offer complementary sequence information. We present a unified approach to characterize the structure and intermolecular interactions present in the gas-phase pentapeptide leucine-enkephalin anion by several vibrational spectroscopy schemes as well as by ion-mobility spectrometry, all of which are analyzed with the help of quantum-chemical computations. The picture emerging from this study is that deprotonation takes place at the C terminus. In this configuration, the excess charge is stabilized by strong intramolecular hydrogen bonds to two backbone amide groups and thus provides a detailed picture of a potentially common charge accommodation motif in peptide anions.