在水合生物分子中超快速分子间质子转移的状态和时间解析观测
Jiaqi Zhou1, Lu Wu2, Michal Belina3
1MOE Key Laboratory for Nonequilibrium Synthesis and Modulation of Condensed Matter, School of Physics, Xi'an Jiaotong University, Xi'an, 710049, China.
Nature communications
|July 2, 2025
概括
我们观察到迄今为止最快的质子转移,在辐射后的醇-水复合体中发生在60 femtosecond内. 这种超快的质子动态为辐射对水合生物分子的影响提供了新的见解.
科学领域:
- 物理化学 物理化学
- 化学物理 化学物理
- 分子动力学分子动力学
背景情况:
- 质子转移对于许多化学和生物过程至关重要.
- 实时捕获超快质子转移动态 (小于100 femtoseconds) 是一个挑战.
研究的目的:
- 直接观察和描述电离辐射诱导的质子转移在100 femtosecond以下的动态.
- 为了研究异芳醇水合物中的质子转移,特别是pyrrole-water复合物.
主要方法:
- 利用了电子冲击和强场秒激光实验.
- 使用电子巧合动量成像来获得动态洞察力.
- 进行了补充的初始计算,以阐明动态细节.
主要成果:
- 取得了通过电离辐射诱导的醇-水复合体中质子转移的时间解析观测.
- 观察到一个双电荷的醇单元 (C4H5N2+) 的形成,该单元在60 fs内迅速捐赠一个质子.
- 确定了无质子化C4H4N+和 (H3O+) 离子的生成,导致库伦爆炸.
结论:
- 观察到的50-60 fs的质子转移是最快的酸反应之一.
- 这项研究为水生物分子中辐射诱导的质子转移机制提供了新的视角.
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