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N-ethylformamide dimer. A β-turn model peptide in the gas phase

Vaquero-Vara, V. and Alstadt, V. and Sewatsky, T. P. and Claughton, J. L. and Finneran, I. A. and Shipman, S. T. and Pate, B. H. and Pratt, D. W. (2017) N-ethylformamide dimer. A β-turn model peptide in the gas phase. Journal of Molecular Spectroscopy, 335 . pp. 102-107. ISSN 0022-2852.

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Reported here are CP-FTMW experiments on N-ethylformamide (NEF), previously studied by pure rotational spectroscopy in the gas phase by Hirota and co-workers (2005). Two conformers of the monomer (trans sc and cis ac), the trans-trans sc dimer, and several NEF-water complexes have been detected. (Only trans sc was observed in the earlier experiments.) Of these species, the trans-trans sc dimer is the most interesting since its three-dimensional structure bears a striking resemblance to β-turns in folded peptides. The well-known anti-parallel β-sheet structures would be expected to have near-zero dipole moments and are therefore discriminated against by the CP-FTMW method.

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Finneran, I. A.0000-0003-2506-4652
Additional Information:© 2016 Elsevier Inc. Received 1 September 2016, Revised 17 November 2016, Accepted 1 December 2016, Available online 9 December 2016. This work has been supported by NSF (CHE-0960074) and the University of Pittsburgh. The computational resources provided by the Vermont Advanced Computing Core which is supported by NASA (NNX-08AO96G) are gratefully acknowledged.
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University of PittsburghUNSPECIFIED
Record Number:CaltechAUTHORS:20170601-081528774
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Official Citation:V. Vaquero-Vara, V. Alstadt, T.P. Sewatsky, J.L. Claughton, I.A. Finneran, S.T. Shipman, B.H. Pate, D.W. Pratt, N-ethylformamide dimer. A β-turn model peptide in the gas phase, Journal of Molecular Spectroscopy, Volume 335, May 2017, Pages 102-107, ISSN 0022-2852, (
Usage Policy:No commercial reproduction, distribution, display or performance rights in this work are provided.
ID Code:77880
Deposited By: Tony Diaz
Deposited On:01 Jun 2017 21:12
Last Modified:10 Dec 2020 22:30

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