ArticleThe journal of physical chemistry. B2015
UV resonance Raman investigation of the aqueous solvation dependence of primary amide vibrations.
Article in The journal of physical chemistry. B, 2015. The graph could read no effect estimate from its abstract, so it casts no vote on the map. Cited by 13 papers.
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Who cites it
13 citing papers in PubMed.
- Study ofThe journal of physical chemistry letters · 2025Article
- Lighting the Path: Raman Spectroscopy's Journey Through the Microbial Maze.Molecules (Basel, Switzerland) · 2024Article
- Toward determining amyloid fibril structures using experimental constraints from Raman spectroscopy.The Journal of chemical physics · 2023Article
- Molecular Insights into the Binding of Linear Polyethylenimines and Single-Stranded DNA Using Raman Spectroscopy: A Quantitative Approach.The journal of physical chemistry. B · 2022Article
- Amide Spectral Fingerprints are Hydrogen Bonding-Mediated.The journal of physical chemistry letters · 2022Article
- Quinine copolymer reporters promote efficient intracellular DNA delivery and illuminate a protein-induced unpackaging mechanism.Proceedings of the National Academy of Sciences of the United States of America · 2020Article
- Far-Off Resonance: Multiwavelength Raman Spectroscopy Probing Amide Bands of Amyloid-β-(37-42) Peptide.Molecules (Basel, Switzerland) · 2020Article
- Far-Field Super-Resolution Vibrational Spectroscopy.Analytical chemistry · 2019Article
- Polyglutamine Solution-State Structural Propensity Is Repeat Length Dependent.The journal of physical chemistry. B · 2019Article
- UV Resonance Raman Structural Characterization of an (In)soluble Polyglutamine Peptide.The journal of physical chemistry. B · 2019Article
- New Insights into Quinine-DNA Binding Using Raman Spectroscopy and Molecular Dynamics Simulations.The journal of physical chemistry. B · 2018Article
- Ultraviolet Resonance Raman Spectroscopic Markers for Protein Structure and Dynamics.Trends in analytical chemistry : TRAC · 2018Article
- Glutamine and Asparagine Side Chain Hyperconjugation-Induced Structurally Sensitive Vibrations.The journal of physical chemistry. B · 2015Article
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Authors and funding
7 authors.
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Abstract
We investigated the normal mode composition and the aqueous solvation dependence of the primary amide vibrations of propanamide. Infrared, normal Raman, and UV resonance Raman (UVRR) spectroscopy were applied in conjunction with density functional theory (DFT) to assign the vibrations of crystalline propanamide. We examined the aqueous solvation dependence of the primary amide UVRR bands by measuring spectra in different acetonitrile/water mixtures. As previously observed in the UVRR spectra of N-methylacetamide, all of the resonance enhanced primary amide bands, except for the Amide I (AmI), show increased UVRR cross sections as the solvent becomes water-rich. These spectral trends are rationalized by a model wherein the hydrogen bonding and the high dielectric constant of water stabilizes the ground state dipolar (-)O-C═NH2(+) resonance structure over the neutral O═C-NH2 resonance structure. Thus, vibrations with large C-N stretching show increased UVRR cross sections because the C-N displacement between the electronic ground and excited state increases along the C-N bond. In contrast, vibrations dominated by C═O stretching, such as the AmI, show a decreased displacement between the electronic ground and excited state, which result in a decreased UVRR cross section upon aqueous solvation. The UVRR primary amide vibrations can be used as sensitive spectroscopic markers to study the local dielectric constant and hydrogen bonding environments of the primary amide side chains of glutamine (Gln) and asparagine (Asn).
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