光谱学与光谱分析 |
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Terahertz Time-Domain Spectroscopy of L-Ascorbic Acid |
CAO Bing-hua,ZHANG Guang-xin,HOU Di-bo, HUANG Ping-jie,ZHOU Ze-kui |
State Key Lab of Industrial Control Technology, Department of Control Science and Engineering, Zhejiang University, Hangzhou 310027, China |
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Abstract The present paper reports the theoretical and experimental vibrational frequencies of L-ascorbic acid in the frequency range from 0.2 to 2.4 THz respectively. The vibrational frequencies of L-ascorbic acid in the THz range were simulated by Becke-3-Lee-Yang-Parr (B3LYP) algorithm of density functional theory. Simultaneously, the absorption and refractive index spectra of L-ascorbic acid were obtained using terahertz time-domain spectroscopy (THz-TDS). Based on the results from density functional calculations, the observed vibrational peaks were assigned with the aid of Gaussian View 3.07. Finally, the terahertz absorption spectra of tablets of vitamin C were compared with those of L-ascorbic acid. It was found that L-ascorbic acid had some distinct fingerprint spectra in the THz region and the theoretical results were in good agreement with the experimental results. The observed vibrational peaks were induced jointly by the intramolecular and intermolecular vibrations. The absorption peaks of L-ascorbic acid could be observed in the absorption spectra of the tablets of vitamin C. Our research is helpful to understanding the role of L-ascorbic acid in biological reactions. Still, the research results show the potential of the application of THz-TDS in the quantification of L-ascorbic acid.
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Received: 2008-03-28
Accepted: 2008-06-29
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Corresponding Authors:
CAO Bing-hua
E-mail: caobinghua2004@163.com
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[1] Gershoff S N. Nutrition Review, 1994, 52(5): 313. [2] Lewin S. Vitamin C: Its Molecular Biology and Medical Potential. New York: Academic Press, 1976. 40. [3] Yang H, Irudayaraj J. Journal of Pharmacy and Pharmacology, 2002, 54(9): 1247. [4] Panicker C Y, Varghese H T, Philip D. Spectrochimica Acta Part A, 2005, 65: 802. [5] Liu H, Xiang B G, Qu L B. Journal of Molecular Structure, 2006, 794: 12. [6] Yu B, Zeng F, Yang Y, et al. Biophysical Journal, 2004, 86: 1649. [7] Markelz A G, Roitberg A, Heilweil E J. Chemical Physics Letters, 2000, 320: 42. [8] Walther M, Fischer B, Schall M, et al. Chemical Physics Letters, 2000, 332: 389. [9] Takahashi M, Ishikawa Y, Nishizawa J, et al. Chemical Physics Letters, 2005, 401: 475. [10] Walther M, Plochocha P, Fischer B, et al. Biopolymers, 2002, 67: 310. [11] Mickan S P, Menikh A, Liu H B, et al. Physics in Medicine and Biology, 2002, 47: 3789. [12] MA Shi-hua, SHI Yu-lei, YAN Wei, et al(马士华,施宇蕾,严伟,等). Spectroscopy and Spectral Analysis(光谱学与光谱分析), 2007, 27(9): 1665. [13] CAO Bing-hua, ZHANG Guang-xin, ZHOU Ze-kui(曹丙花,张光新,周泽魁). Chinese Journal of Analytical Chemistry(分析化学),2008,36(5):623.. [14] Liu H B. Terahertz Spectroscopy for Chemical and Biological Sensing Applications[Thesis Paper] . New York: Rensselaer Polytechnic Institute, 2006. [15] Chen Y Q, Liu H B, Deng Y Q, et al. Chemical Physics Letters, 2004, 400: 357.
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