A comparative evaluation of the activities of thiol group and hydroxyl group in low-frequency vibrations using terahertz spectroscopy and DFT calculations.
A comparative evaluation of the activities of thiol group and hydroxyl group in low-frequency vibrations using terahertz spectroscopy and DFT calculations.
复制标题
使用太赫兹光谱和 DFT 计算对低频振动中硫醇基团和羟基的活性进行比较评估。
DOI：
10.1016/j.saa.2019.02.018
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发表时间：
2019
期刊：
影响因子：
--
通讯作者：
Xiaohua Deng
中科院分区：
文献类型：
--
作者：
Yin Li;Li Xu;Qi Zhou;Guangyun Xiong;Yun Shen;Xiaohua Deng
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、结合作用和溶剂化。揭示不同基团的分子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。为了比较羟基和硫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密度泛函计算。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，在低频振动中，硫醇基团表现出比羟基基团更高的活性。
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 ofl‑serine andl‑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.
影响因子：
4
作者：
Yamaguchi, M;Miyamaru, F;Hangyo, M
通讯作者：
Hangyo, M
DOI：
10.1073/pnas.95.7.3478
发表时间：
1998-03-31
影响因子：
11.1
作者：
Maret, W;Vallee, BL
通讯作者：
Vallee, BL