Terahertz identification and quantification of penicillamine enantiomers  

作　　者：JI Te ZHAO Hongwei HAN Pengyu CHEN Min XIAO Tiqiao 

机构地区：[1]Shanghai Institute of Applied Physics, Chinese Academy of Sciences [2]Center for Terahertz Research, Rensselaer Polytechnic Institute

出　　处：《Nuclear Science and Techniques》2013年第1期12-16,共5页核技术（英文）

基　　金：Supported by National Natural Science Foundation of China (No.60907044);the Major State Basic Research Development Program in China (No.2010CB834301);Chinese Academy of Sciences Key Project of International Co-operation (No.GJHZ09058);Science Foundation of the Chinese Academy of Sciences

摘　　要：Identification and characterization of L-, D- and DL- penicillamine were demonstrated by Terahertz time-domain spectroscopy (THz-TDS). To understand the physical origins of the low frequency resonant modes, the density functional theory (DFT) was adopted for theoretical calculation. It was found that the collective THz frequency motions were decided by the intramolecular and intermolecular hydrogen bond interactions. Moreover, the quantification of penicillamine enantiomers mixture was demonstrated by a THz spectra fitting method with a relative error of less than 3.5%. This technique can be a valuable tool for the discrimination and quantification of chiral drugs in pharmaceutical industry.Identification and characterization of L-, D- and DL- penicillamine were demonstrated by Terahertz time-domain spectroscopy （THz-TDS）. To understand the physical origins of the low frequency resonant modes, the density functional theory （DFT） was adopted for theoretical calculation. It was found that the collective THz frequency motions were decided by the intramolecular and intermolecular hydrogen bond interactions. Moreover, the quantification of penicillamine enantiomers mixture was demonstrated by a THz spectra fitting method with a relative error of less than 3.5%. This technique can be a valuable tool for the discrimination and quantification of chiral drugs in pharmaceutical industry.

关 键 词：太赫兹时域光谱技术 青霉胺 量化 对映体 THZ-TDS 识别 密度泛函理论 氢键相互作用 

分 类 号：TN21[电子电信—物理电子学]