Interactions in Ternary Aqueous Solutions of NMA and Osmolytes-PARAFAC Decomposition of FTIR Spectra Series.
Int J Mol Sci
; 22(21)2021 Oct 28.
Article
em En
| MEDLINE
| ID: mdl-34769114
ABSTRACT
Intermolecular interactions in aqueous solutions are crucial for virtually all processes in living cells. ATR-FTIR spectroscopy is a technique that allows changes caused by many types of such interactions to be registered; however, binary solutions are sometimes difficult to solve in these terms, while ternary solutions are even more difficult. Here, we present a method of data pretreatment that facilitates the use of the Parallel Factor Analysis (PARAFAC) decomposition of ternary solution spectra into parts that are easier to analyze. Systems of the NMA-water-osmolyte-type were used to test the method and to elucidate information on the interactions between N-Methylacetamide (NMA, a simple peptide model) with stabilizing (trimethylamine N-oxide, glycine, glycine betaine) and destabilizing osmolytes (n-butylurea and tetramethylurea). Systems that contain stabilizers change their vibrational structure to a lesser extent than those with denaturants. Changes in the latter are strong and can be related to the formation of direct NMA-destabilizer interactions.
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Base de dados:
MEDLINE
Assunto principal:
Espectroscopia de Infravermelho com Transformada de Fourier
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Acetamidas
Tipo de estudo:
Evaluation_studies
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Prognostic_studies
Idioma:
En
Ano de publicação:
2021
Tipo de documento:
Article