単結晶の超高速分子運動を撮影(Filming Ultrafast Molecular Motions in Single Crystal)

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2024-03-25 韓国基礎科学研究院(IBS)

物質の振る舞いを理解するためにX線結晶構造解析が重要である。最近の技術進歩により、時間分解連続フェムト秒結晶学(TR-SFX)が開発され、一度のX線照射で試料を損傷せずに構造を測定できるようになった。これにより、タンパク質以外の試料でもリアルタイムで分子構造変化を観察できるようになった。IBSの研究チームはTR-SFXを非タンパク質試料に初めて適用し、分子の微細な構造変化をリアルタイムで捉えることに成功した。

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フェムト秒連続結晶構造解析で捉えた有機金属骨格のダイナミックな3次元構造 Dynamic three-dimensional structures of a metal–organic framework captured with femtosecond serial crystallography

Jaedong Kang,Yunbeom Lee,Seonggon Lee,Hosung Ki,Jungmin Kim,Jain Gu,Yongjun Cha,Jun Heo,Kyung Won Lee,Seong Ok Kim,Jaehyun Park,Sang-Youn Park,Sangsoo Kim,Rory Ma,Intae Eom,Minseok Kim,Jeongho Kim,Jae Hyuk Lee & Hyotcherl Ihee
Nature Chemistry  Published:25 March 2024
DOI:https://doi.org/10.1038/s41557-024-01460-w

Abstract

Crystalline systems consisting of small-molecule building blocks have emerged as promising materials with diverse applications. It is of great importance to characterize not only their static structures but also the conversion of their structures in response to external stimuli. Femtosecond time-resolved crystallography has the potential to probe the real-time dynamics of structural transitions, but, thus far, this has not been realized for chemical reactions in non-biological crystals. In this study, we applied time-resolved serial femtosecond crystallography (TR-SFX), a powerful technique for visualizing protein structural dynamics, to a metal–organic framework, consisting of Fe porphyrins and hexazirconium nodes, and elucidated its structural dynamics. The time-resolved electron density maps derived from the TR-SFX data unveil trifurcating structural pathways: coherent oscillatory movements of Zr and Fe atoms, a transient structure with the Fe porphyrins and Zr6 nodes undergoing doming and disordering movements, respectively, and a vibrationally hot structure with isotropic structural disorder. These findings demonstrate the feasibility of using TR-SFX to study chemical systems.

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