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DMSO and TMAO—Differences in Interactions in Aqueous Solutions of the K-Peptide

Interactions between a solvent and their co-solute molecules in solutions of peptides are crucial for their stability and structure. The K-peptide is a synthetic fragment of a larger hen egg white lysozyme protein that is believed to be able to aggregate into amyloid structures. In this study, a com...

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Detalles Bibliográficos
Autores principales: Godlewska, Julia, Cieśla, Bartosz, Wawer, Jarosław, Bruździak, Piotr
Formato: Online Artículo Texto
Lenguaje:English
Publicado: MDPI 2022
Materias:
Acceso en línea:https://www.ncbi.nlm.nih.gov/pmc/articles/PMC8836737/
https://www.ncbi.nlm.nih.gov/pubmed/35163792
http://dx.doi.org/10.3390/ijms23031872
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author Godlewska, Julia
Cieśla, Bartosz
Wawer, Jarosław
Bruździak, Piotr
author_facet Godlewska, Julia
Cieśla, Bartosz
Wawer, Jarosław
Bruździak, Piotr
author_sort Godlewska, Julia
collection PubMed
description Interactions between a solvent and their co-solute molecules in solutions of peptides are crucial for their stability and structure. The K-peptide is a synthetic fragment of a larger hen egg white lysozyme protein that is believed to be able to aggregate into amyloid structures. In this study, a complex experimental and theoretical approach is applied to study systems comprising the peptide, water, and two co-solutes: trimethylamide N-oxide (TMAO) or dimethyl sulfoxide (DMSO). Information about their interactions in solutions and on the stability of the K-peptide was obtained by FTIR spectroscopy and differential scanning microcalorimetry. The IR spectra of various osmolyte–water–model-peptide complexes were simulated with the DFT method (B3LYP/6-311++G(d,p)). The FTIR results indicate that both solutes are neutral for the K-peptide in solution. Both co-solutes affect the peptide to different degrees, as seen in the shape of its amide I band, and have different influences on its thermal stability. DFT calculations helped simplify the experimental data for easier interpretation.
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spelling pubmed-88367372022-02-12 DMSO and TMAO—Differences in Interactions in Aqueous Solutions of the K-Peptide Godlewska, Julia Cieśla, Bartosz Wawer, Jarosław Bruździak, Piotr Int J Mol Sci Article Interactions between a solvent and their co-solute molecules in solutions of peptides are crucial for their stability and structure. The K-peptide is a synthetic fragment of a larger hen egg white lysozyme protein that is believed to be able to aggregate into amyloid structures. In this study, a complex experimental and theoretical approach is applied to study systems comprising the peptide, water, and two co-solutes: trimethylamide N-oxide (TMAO) or dimethyl sulfoxide (DMSO). Information about their interactions in solutions and on the stability of the K-peptide was obtained by FTIR spectroscopy and differential scanning microcalorimetry. The IR spectra of various osmolyte–water–model-peptide complexes were simulated with the DFT method (B3LYP/6-311++G(d,p)). The FTIR results indicate that both solutes are neutral for the K-peptide in solution. Both co-solutes affect the peptide to different degrees, as seen in the shape of its amide I band, and have different influences on its thermal stability. DFT calculations helped simplify the experimental data for easier interpretation. MDPI 2022-02-07 /pmc/articles/PMC8836737/ /pubmed/35163792 http://dx.doi.org/10.3390/ijms23031872 Text en © 2022 by the authors. https://creativecommons.org/licenses/by/4.0/Licensee MDPI, Basel, Switzerland. This article is an open access article distributed under the terms and conditions of the Creative Commons Attribution (CC BY) license (https://creativecommons.org/licenses/by/4.0/).
spellingShingle Article
Godlewska, Julia
Cieśla, Bartosz
Wawer, Jarosław
Bruździak, Piotr
DMSO and TMAO—Differences in Interactions in Aqueous Solutions of the K-Peptide
title DMSO and TMAO—Differences in Interactions in Aqueous Solutions of the K-Peptide
title_full DMSO and TMAO—Differences in Interactions in Aqueous Solutions of the K-Peptide
title_fullStr DMSO and TMAO—Differences in Interactions in Aqueous Solutions of the K-Peptide
title_full_unstemmed DMSO and TMAO—Differences in Interactions in Aqueous Solutions of the K-Peptide
title_short DMSO and TMAO—Differences in Interactions in Aqueous Solutions of the K-Peptide
title_sort dmso and tmao—differences in interactions in aqueous solutions of the k-peptide
topic Article
url https://www.ncbi.nlm.nih.gov/pmc/articles/PMC8836737/
https://www.ncbi.nlm.nih.gov/pubmed/35163792
http://dx.doi.org/10.3390/ijms23031872
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