Terahertz spectroscopy detection of L-lysine hydrate dehydration process

IF 4.3 2区化学 Q1 SPECTROSCOPY

Spectrochimica Acta Part A: Molecular and Biomolecular Spectroscopy Pub Date : 2024-11-27 DOI:10.1016/j.saa.2024.125502

Xiaohan Xia, Liuxing Lin, Lvzhu Cheng, Xianglong Li, Bin Yang

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Abstract

L-lysine (Lys), an essential amino acid for humans and mammals, must be obtained from food. It is highly soluble in water and can form L-lysine hydrate (Lys·H₂O) under certain conditions, negatively affecting food quality. As temperature increases, Lys·H₂O can dehydrate to become Lys. This study employs terahertz time-domain spectroscopy, infrared spectroscopy, and X-ray diffraction to characterize Lys and Lys·H₂O, analyzing the detection capabilities of different spectral methods. In addition, Density Functional Theory (DFT) simulations were used to verify the experimental results. Thermogravimetric analysis (TG) was employed to study the dehydration process of Lys·H₂O with increasing temperature. The experimental results indicate that the dehydration process involves the removal of both free water and crystal water, completing at approximately 100 °C. Terahertz time-domain spectroscopy provides detailed characterization of this process. The relationship between characteristic peak absorption intensity and temperature during dehydration is successfully analyzed through Boltzmann fitting and first-order derivative analysis. This study effectively monitors the transition of Lys·H₂O to anhydrate, offering a novel method for the quantitative analysis of the hydrate dehydration process.

Abstract Image

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水合赖氨酸脱水过程的太赫兹光谱检测

l -赖氨酸（Lys）是人类和哺乳动物必需的氨基酸，必须从食物中获得。它极易溶于水，在一定条件下可形成水合l -赖氨酸（Lys·H2O），对食品品质产生不利影响。随着温度的升高，Lys·H2O会脱水成为Lys。本研究采用太赫兹时域光谱、红外光谱和x射线衍射对Lys和Lys·H2O进行表征，分析不同光谱方法的检测能力。此外，利用密度泛函理论（DFT）对实验结果进行了验证。采用热重分析（TG）研究了赖氨酸·H2O随温度升高的脱水过程。实验结果表明，脱水过程包括自由水和结晶水的去除，在大约100°C完成。太赫兹时域光谱提供了这一过程的详细表征。通过玻尔兹曼拟合和一阶导数分析，成功地分析了脱水过程中特征峰吸收强度与温度的关系。本研究有效地监测了Lys·H2O向无水产物的转变，为水合物脱水过程的定量分析提供了一种新的方法。

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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.