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Updated: Oct 12, 2025

Vibrational Spectra of a N719-Chromophore/Titania Interface from Empirical-Potential Molecular-Dynamics Simulation, Solvated by a Room Temperature Ionic Liquid
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Vibrational Spectra of a N719-Chromophore/Titania Interface from Empirical-Potential Molecular-Dynamics Simulation, Solvated by a Room Temperature Ionic Liquid

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Distinct electrostatic frequency tuning rates for amide I and amide I' vibrations

Kevin Chelius1, Jacob H Wat1, Amala Phadkule1

  • 1Department of Chemistry, Purdue University, West Lafayette, Indiana 47907, USA.

The Journal of Chemical Physics
|November 21, 2021
PubMed
Summary

This study establishes a linear "map" to translate between amide I and amide I' spectroscopy frequencies in peptides. This is crucial for quantitative protein structural analysis when deuteration is not feasible.

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