Abstract-Temperature-dependent terahertz vibrational spectra of tetracycline and its degradation products

Lijuan Xie, Chen Wang, Min Chen, Biao-Bing Jin, Ruiyun Zhou, Yuxin Huang, Saima Hameed, Yibin Ying

https://www.sciencedirect.com/science/article/pii/S1386142519305694#!

Terahertz (THz) spectroscopy has emerged as an attractive technique for qualitative and quantitative detection. Analysis of these chemicals in the THz range under various temperatures can yield detailed information on molecular vibrational modes, which is of utmost importance for effective detection. Here we report the use of THz time-domain spectroscopy (THz-TDS) to measure tetracyclines hydrochloride (TCH) and its degradation products including epitetracycline hydrochloride (ETCH), anhydrotetracycline hydrochloride (ATCH), and epianhydrotetracycline hydrochloride (EATCH) over the temperature range of 4.5–300 K for the first time. The results showed that these four tetracyclines exhibited numerous distinct spectral features in frequency-dependent absorption spectra, which demonstrated the qualitative capacity of THz-TDS. Through density functional theory (DFT) calculations and analysis of temperature-dependent absorption spectra, the origin of the observed terahertz absorption peaks of these four tetracyclines were well interpreted. This study could lay the foundation for high-performance analysis of biological and chemical molecules by THz spectroscopy, which is essential for sensing application.