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首页> 外文期刊>Physical Review X >Ultrafast Dynamics of a Nucleobase Analogue Illuminated by a Short Intense X-ray Free Electron Laser Pulse
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Ultrafast Dynamics of a Nucleobase Analogue Illuminated by a Short Intense X-ray Free Electron Laser Pulse

机译：短快的核碱基类似物由短强X射线自由电子激光脉冲照射的核碱基类似物

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摘要

Understanding x-ray radiation damage is a crucial issue for both medical applications of x rays and x-ray free-electron-laser (XFEL) science aimed at molecular imaging. Decrypting the charge and fragmentation dynamics of nucleobases, the smallest units of a macro-biomolecule, contributes to a bottom-up understanding of the damage via cascades of phenomena following x-ray exposure. We investigate experimentally and by numerical simulations the ultrafast radiation damage induced on a nucleobase analogue (5-iodouracil) by an ultrashort (10?fs) high-intensity radiation pulse generated by XFEL at SPring-8 Angstrom Compact free electron Laser (SACLA). The present study elucidates a plausible underlying radiosensitizing mechanism of 5-iodouracil. This mechanism is independent of the exact composition of 5-iodouracil and thus relevant to other such radiosensitizers. Furthermore, we found that despite a rapid increase of the net molecular charge in the presence of iodine, and of the ultrafast release of hydrogen, the other atoms are almost frozen within the 10-fs duration of the exposure. This validates single-shot molecular imaging as a consistent approach, provided the radiation pulse used is brief enough.
机译：了解X射线辐射损伤是X射线和X射线自由电子激光（XFEL）科学的医学应用的关键问题，其旨在分子成像。解密核碱基的充电和碎片动态，宏生物分子的最小单位，有助于通过X射线暴露后通过级联的级联的损伤的自下而上的理解。我们通过实验研究，并通过数值模拟通过Xfel在弹簧-8埃芯片自由电子激光器（Sacla）上由XFEL产生的超短（10·FS）高强度辐射脉冲在核碱基（5-Iodouracil）上诱导的超快辐射损伤。本研究阐明了5-Iodouracil的可粘性潜水机制。该机制与5-Iodouracil的精确组成无关，因此与其他此类放射胶质剂相关。此外，我们发现，尽管在碘存在下净分子电荷的快速增加，并且氢的超快释放，但其他原子几乎在暴露的10-FS持续时间内冻结。这验证了单次分子成像作为一致的方法，只要使用的辐射脉冲足够简短。

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