Highly-resolved Spectra of Gas-phase Gramicidin S: A Benchmark for Peptide Structure Calculations

We have measured a vibrationally-resolved UV spectrum of doubly-protonated gramicidin S (GS) in the gas phase and, subsequently, a highly-resolved, conformer-specific infrared spectra in the 6 μm fingerprint region, using a cold ion trap in combination with table-top lasers. The study reveals at least three conformational states of GS populated under our experimental conditions, with the major one showing evidence of a symmetric 3-D structure, similar to that in the condensed phase. The derived qualitative constraints, along with the measured vibrational frequencies, serve as a benchmark for computations of peptide structure.


Published in:
Journal of the American Chemical Society, 132, 4040
Year:
2010
Publisher:
American Chemical Society
ISSN:
0002-7863
Keywords:
Laboratories:




 Record created 2010-02-26, last modified 2018-09-13


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