Conformation of doubly protonated peptides studied by charge-separation reactions in mass spectrometry

Zoltán Szilágyi, L. Drahos, K. Vékey

Research output: Contribution to journalArticle

20 Citations (Scopus)

Abstract

Charge-separation metastable processes were investigated by mass spectrometry and kinetic energy release (KER) distributions were determined from the measured metastable peak profiles. Benzene, p-N,N-dimethylaminoaniline and pipecuronium bromide (Arduan) were investigated as reference compounds to confirm that there is a well defined relationship between the KER distribution and the distance of the two charged centers. For these 'rigid' systems relatively narrow KER distributions were found, and the average values were in good agreement with the intercharge distances determined by a semi-empirical (MNDO) molecular orbital calculation. Two metastable processes of bradykinin, a nonapeptide and one of trilysine were studied. The distribution of KER suggests that the conformation of bradykinin is fairly rigid, whereas that of trilysine is flexible. The observed KER values clearly indicate far smaller intercharge distances than those corresponding to extended geometries. This is clear experimental evidence that medium-sized doubly charged peptides have a folded and not an extended geometry in the gas phase.

Original languageEnglish
Pages (from-to)689-696
Number of pages8
JournalJournal of Mass Spectrometry
Volume32
Issue number7
DOIs
Publication statusPublished - Jul 1997

Fingerprint

polarization (charge separation)
Kinetic energy
Peptides
peptides
Mass spectrometry
Conformations
Mass Spectrometry
mass spectroscopy
kinetic energy
Pipecuronium
Bradykinin
Orbital calculations
Geometry
Molecular orbitals
geometry
Benzene
bromides
molecular orbitals
Gases
benzene

Keywords

  • Conformation
  • Kinetic energy release
  • Molecular orbital calculations (MNDO)
  • Peptides
  • Tandem mass spectrometry

ASJC Scopus subject areas

  • Biophysics
  • Organic Chemistry
  • Spectroscopy

Cite this

Conformation of doubly protonated peptides studied by charge-separation reactions in mass spectrometry. / Szilágyi, Zoltán; Drahos, L.; Vékey, K.

In: Journal of Mass Spectrometry, Vol. 32, No. 7, 07.1997, p. 689-696.

Research output: Contribution to journalArticle

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