Probing ultraviolet-induced dissociation of hydrogen bond networks in tyrosine by terahertz spectroscopy

IF 4.3 2区化学 Q1 SPECTROSCOPY

Spectrochimica Acta Part A: Molecular and Biomolecular Spectroscopy Pub Date : 2025-03-07 DOI:10.1016/j.saa.2025.126004

Zhenqi Zhu , Hui Xu , Ting Zhang , Jiafeng Meng , Yanwei Tong , Kun Wang , Bing Zhang , Bin Yang

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Abstract

Tyrosine (Tyr) has gained significant attention as one of the most sensitive amino acids. Its oxidation is accompanied by changes in hydrogen bonds, so the oxidation process of Tyr is monitored and the dissociation sequence of different hydrogen bond network is elucidated based on the sensitivity of terahertz (THz) waves to intermolecular interactions. We find that the peak height of Tyr at 0.97 THz and 2.08 THz decreases with time, but the change behavior of the two is different. Combined with density functional theory (DFT), this phenomenon is attributed to the difference of factors that dominate THz vibration. The weakening of the peak height of Tyr at 0.97 THz is due to the ordered dissociation of hydrogen bonds with different intensities, while the peak at 2.08 THz mainly involves the lattice itself. This means that the peak at 0.97 THz is a more accurate parameter for characterizing the oxidation process. Our study reveals the hydrogen bond changes of Tyr when its structure is destroyed, and provides a spectral technique for monitoring and preventing harmful oxidation reactions using hydrogen bond network evolution.

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来源期刊

Spectrochimica Acta Part A: Molecular and Biomolecular Spectroscopy 物理-光谱学

CiteScore

8.40

自引率

11.40%

发文量

1364

审稿时长

40 days

期刊介绍： Spectrochimica Acta, Part A: Molecular and Biomolecular Spectroscopy (SAA) is an interdisciplinary journal which spans from basic to applied aspects of optical spectroscopy in chemistry, medicine, biology, and materials science. The journal publishes original scientific papers that feature high-quality spectroscopic data and analysis. From the broad range of optical spectroscopies, the emphasis is on electronic, vibrational or rotational spectra of molecules, rather than on spectroscopy based on magnetic moments. Criteria for publication in SAA are novelty, uniqueness, and outstanding quality. Routine applications of spectroscopic techniques and computational methods are not appropriate. Topics of particular interest of Spectrochimica Acta Part A include, but are not limited to: Spectroscopy and dynamics of bioanalytical, biomedical, environmental, and atmospheric sciences, Novel experimental techniques or instrumentation for molecular spectroscopy, Novel theoretical and computational methods, Novel applications in photochemistry and photobiology, Novel interpretational approaches as well as advances in data analysis based on electronic or vibrational spectroscopy.