Department of Physics, School of Sciences, Nanchang University, Xuefu Avenue 999, Nanchang City 330031, China.
Department of Chemical Engineering and Technology, School of Chemistry, Biology and Materials of Science, East China University of Technology, Guanglan Avenue 418, Nanchang City 330013, China.
Spectrochim Acta A Mol Biomol Spectrosc. 2019 May 5;214:246-251. doi: 10.1016/j.saa.2019.02.018. Epub 2019 Feb 11.
Low-frequency vibrations of biomolecules govern many biological processes like allostery of proteins, binding interaction and solvation. Revealing how involved are different groups of molecules in low-frequency vibrations is of significance to understand the behaviors of biomolecules. To compare the activities of hydroxyl group and thiol group in low-frequency vibrations, we conducted THz measurements and DFT calculations of l‑serine and l‑cysteine. We performed quantitative analyses on their low-frequency vibrations to study their difference. Statistical analyses on the vibrational modes in our studied range suggest the thiol group shows a higher level of activity in low-frequency vibrations than hydroxyl group.
生物分子的低频振动控制着许多生物过程，如蛋白质的变构、结合相互作用和溶剂化。揭示不同分子基团在低频振动中是如何参与的，对于理解生物分子的行为具有重要意义。为了比较羟基和巯基在低频振动中的活性，我们对 l-丝氨酸和 l-半胱氨酸进行了太赫兹测量和 DFT 计算。我们对它们的低频振动进行了定量分析，以研究它们的差异。对我们研究范围内振动模式的统计分析表明，巯基在低频振动中的活性高于羟基。
