首页 / 资料库 / 文献详情

Terahertz identification and quantification of penicillamine enantiomers

Ji、Te、Zhao Zhao、Hongwei、Han .、Pengyu、Chen、Min Min

2013Acta Scientiarum Naturalium Universitatis SunyatseniEngineering被引 1

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.

引用本文（GB/T 7714）