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

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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用太赫兹光谱探测紫外诱导的酪氨酸氢键网络解离
酪氨酸(Tyr)作为最敏感的氨基酸之一引起了人们的广泛关注。由于Tyr的氧化过程伴随着氢键的变化,因此利用太赫兹(THz)波对分子间相互作用的敏感性,对Tyr的氧化过程进行了监测,并阐明了不同氢键网络的解离顺序。我们发现Tyr在0.97 THz和2.08 THz处的峰高随时间降低,但两者的变化行为不同。结合密度泛函理论(DFT),将这一现象归因于太赫兹振动主导因素的差异。在0.97 THz处,Tyr峰高的减弱主要是由于不同强度的氢键的有序解离,而在2.08 THz处,Tyr峰高度的减弱主要与晶格本身有关。这意味着0.97太赫兹的峰值是表征氧化过程的更准确的参数。我们的研究揭示了Tyr结构被破坏时氢键的变化,为利用氢键网络演化监测和预防有害氧化反应提供了一种光谱技术。
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来源期刊
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.
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