Mobley B R, Schmidt Kevin E, Kirian R A
Department of Physics, Arizona State University, Tempe, AZ 85287, USA.
Acta Crystallogr A Found Adv. 2025 Sep 1;81(Pt 5):371-380. doi: 10.1107/S2053273325004243. Epub 2025 Jul 7.
Time-resolved small- and wide-angle X-ray scattering is a valuable tool for investigating biomolecular dynamics on a wide variety of timescales, without cryo-freezing or crystallization. However, some systems, such as the initial excitation of photo-active proteins, evolve dynamically on timescales that may be faster than the duration of the pump and probe beams. Data from a single pump-probe pulse pair therefore contain information from a mixture of time points. In this work, a simple algorithm is developed to recover the dynamics of solution scattering profiles. It leverages information about the pump and probe pulse beams' temporal profiles by using the same mathematical framework as ghost imaging [Pittman et al. (1995). Phys. Rev. A 52, R3429-R3432; Bennink et al. (2002). Phys. Rev. Lett. 89, 113601; Gatti et al. (2004). Phys. Rev. Lett. 93, 093602]. Results from several simulated data sets are presented.
时间分辨小角和广角X射线散射是一种在无需冷冻或结晶的情况下,用于研究各种时间尺度上生物分子动力学的宝贵工具。然而,一些系统,如光活性蛋白的初始激发,其动态演化的时间尺度可能比泵浦光和探测光脉冲的持续时间更快。因此,来自单个泵浦-探测脉冲对的数据包含了来自多个时间点混合的信息。在这项工作中,我们开发了一种简单的算法来恢复溶液散射轮廓的动力学。该算法通过使用与鬼成像相同的数学框架[皮特曼等人(1995年)。《物理评论A》52卷,R3429 - R3432;本宁克等人(2002年)。《物理评论快报》89卷,113601;加蒂等人(2004年)。《物理评论快报》93卷,093602],利用了关于泵浦光和探测光脉冲时间轮廓的信息。文中给出了几个模拟数据集的结果。