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Is radiation damage the limiting factor in high-resolution single particle imaging with X-ray free-electron lasers?

机译:辐射损伤是否是X射线自由电子激光器进行高分辨率单粒子成像的限制因素?

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摘要

The prospect of single particle imaging with atomic resolution is one of the scientific drivers for the development of X-ray free-electron lasers. The assumption since the beginning has been that damage to the sample caused by intense X-ray pulses is one of the limiting factors for achieving subnanometer X-ray imaging of single particles and that X-ray pulses need to be as short as possible. Based on the molecular dynamics simulations of proteins in X-ray fields of various durations (5 fs, 25 fs, and 50 fs), we show that the noise in the diffracted signal caused by radiation damage is less than what can be expected from other sources, such as sample inhomogeneity and X-ray shot-to-shot variations. These findings show a different aspect of the feasibility of high-resolution single particle imaging using free-electron lasers, where employing X-ray pulses of longer durations could still provide a useful diffraction signal above the noise due to the Coulomb explosion.
机译:具有原子分辨率的单粒子成像的前景是X射线自由电子激光器发展的科学动力之一。从一开始就一直认为,强烈的X射线脉冲对样品造成的损害是实现单个颗粒的亚纳米X射线成像的限制因素之一,并且X射线脉冲必须尽可能短。基于不同持续时间(5 fs,25 fs和50 fs)的X射线场中蛋白质的分子动力学模拟,我们表明,由辐射损伤引起的衍射信号中的噪声小于其他方法可以预期的噪声。来源,例如样品的不均匀性和X射线的逐次变化。这些发现显示了使用自由电子激光器进行高分辨率单粒子成像的可行性的另一个方面,在这种情况下,使用更长持续时间的X射线脉冲仍可以在库仑爆炸所产生的噪声之上提供有用的衍射信号。

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