Xun Zhang

This new terahertz method provides a theoretical reference for studying the relationship between biomolecules and water.

Studying the experimental absorption spectra of different proportions co-crystallized mixtures and 1:1 physical mixture of L-thr and L-allo-thr, it was found that the characteristic peaks of the physical mixture include the characteristic peaks of the two diastereomers in the THz band, while amino acid co-crystallized mixtures formed their own characteristic peaks depending on the proportion.

This work shows that the combination of THz-TDS and DFT can provide an effective method to investigate the connection mode of hydrogen bonds and thus aid in characterizing compounds such as this potential drug candidate.