Yunfei Liu

TL;DR: The vibrational spectra of solid-state DNA nucleobases were analyzed and the corresponding vibrational modes were assigned to the main peaks in the experimental spectra with the PBC-GEBF results, verified to be in good accordance with the experimental data.

TL;DR: In this article, the spectrum of 20 L-amino acids were obtained at room temperature by terahertz time-domain and infrared spectroscopy, and the intensity varied with the concentration of LAM acids.

TL;DR: In this article, the terahertz spectra of L-ascorbic acid and thiamine hydrochloride were measured by using hybrid functional B3LYP with basis set of 6-31G (d), except with slight frequency shift and few peaks missing.

TL;DR: Results of vibrational mode reveal that hydrogen bonds play a pivotal role in the pairing process of base crystals, where most NH and CH bonds stretch to some extent and hydrogen bonds of a self-made A:T cocrystal completely break in a transition from liquid to the solid state.

TL;DR: In this paper, the terahertz (THz) spectra of four DNA nucleosides (Adenosine, Thymidine, Cytidine and Guanosine) and two nucleoside derivatives (Ribavirin and Entecavir, first time reported) were studied experimentally by Fourier Transform Infrared Spectroscopy (FTIR) in the frequency of 1-10 THz.