Impact of the Acetyl Group on Cysteine: A Study of N-Acetyl-Cysteine through Rotational Spectroscopy.

Autor: Mato S; Grupo de Espectroscopia Molecular (GEM), Edificio Quifima Laboratorios de Espectroscopia y Bioespectroscopia, Parque Científico Universidad de Valladolid, 47011, Valladolid, Spain., Municio S; Grupo de Espectroscopia Molecular (GEM), Edificio Quifima Laboratorios de Espectroscopia y Bioespectroscopia, Parque Científico Universidad de Valladolid, 47011, Valladolid, Spain., Alonso JL; Grupo de Espectroscopia Molecular (GEM), Edificio Quifima Laboratorios de Espectroscopia y Bioespectroscopia, Parque Científico Universidad de Valladolid, 47011, Valladolid, Spain., Alonso ER; Grupo de Espectroscopia Molecular (GEM), Edificio Quifima Laboratorios de Espectroscopia y Bioespectroscopia, Parque Científico Universidad de Valladolid, 47011, Valladolid, Spain., León I; Grupo de Espectroscopia Molecular (GEM), Edificio Quifima Laboratorios de Espectroscopia y Bioespectroscopia, Parque Científico Universidad de Valladolid, 47011, Valladolid, Spain.
Jazyk: angličtina
Zdroj: Chemphyschem : a European journal of chemical physics and physical chemistry [Chemphyschem] 2024 Aug 01; Vol. 25 (15), pp. e202400191. Date of Electronic Publication: 2024 Jun 15.
DOI: 10.1002/cphc.202400191
Abstrakt: Herein, we report a spectroscopic study of N-acetyl-L-cysteine, an important antioxidant drug, using Fourier-transform microwave techniques and in isolated conditions. Two conformers are observed, where most stable structure adopts a cis disposition, and the second conformer has a lower abundance and adopts a trans disposition. The rotational constants and the barriers to methyl internal rotation are determined for each conformer, allowing a precise conformation identification. The results show that the cis form adopts an identical structure in the crystal, solution, and gas phases. Additionally, the structures are contrasted against those of cysteine.
(© 2024 Wiley-VCH GmbH.)
Databáze: MEDLINE
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