The presence of ions in solution affect peptide stability in accordance with the Hoffmeister series. The small molecule N-methylacetamide (NMA, CH<sub>3</sub>-CONH-CH<sub>3</sub>) serves as an ideal model of a peptide bond. To investigate the effects of increasing salt concentration on the amide I vibrational frequency of NMA, a combination of experimental and computational techniques are employed. Non-linear IR spectroscopy along with MD simulations are used to probe the local environment of the carbonyl bond of NMA in a series of monovalent and divalent cation solutions. The results show significant changes in the spectral features with increasing concentration particularly for the salt solutions containing divalent cations. The simulations reveal differences in structural arrangement of ions around the NMA solute.

Effect of salt on the amide I vibrations of model peptides

2019 Spring National Meeting

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