超高速プローブとAIが創薬を可能にする(Ultrafast probing and AI-enabled drug discovery)

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2024-09-20 インペリアル・カレッジ・ロンドン(ICL)

インペリアルの物理学と化学の研究チームが、分子の超高速ダイナミクスを測定するための新しいシステムを開発しました。このシステムは、数フェムト秒(1兆分の1秒の百万分の1)の超短パルスを生成し、幅広い波長で調整可能です。この技術により、超高速の光化学反応や電子ダイナミクスを詳細に研究でき、様々な光化学、光生物学、光電池反応の理解が進むと期待されています。

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調整可能なDUV-Visポンプパルスを用いた数フェムト秒軟X線過渡吸収分光法 Few-femtosecond soft X-ray transient absorption spectroscopy with tuneable DUV-Vis pump pulses

Jacob P. Lee, Timur Avni, Oliver Alexander, Marios Maimaris, Haoqing Ning, Artem A. Bakulin, Philippe G. Burden, Evangelos Moutoulas, Dimitra G. Georgiadou, Christian Brahms, John C. Travers, Jon P. Marangos, and Clément Ferchaud
Optica  Published: September 16, 2024
DOI:https://doi.org/10.1364/OPTICA.530964

超高速プローブとAIが創薬を可能にする(Ultrafast probing and AI-enabled drug discovery)

Abstract

Achieving few-femtosecond resolution for a pump-probe experiment is crucial to measuring the fastest electron dynamics and for creating superpositions of valence states in quantum systems. However, traditional UV-Vis pump pulses cannot achieve few-fs durations and usually operate at fixed wavelengths. Here, we present, to our knowledge, an unprecedented temporal resolution and pump tuneability for UV-Vis-pumped soft X-ray transient absorption spectroscopy. We have combined few-fs deep-UV to visible tuneable pump pulses from resonant dispersive wave emission in hollow capillary fiber with attosecond soft X-ray probe pulses from high harmonic generation. We achieve sub-5-fs time resolution, sub-fs interferometric stability, and continuous tuneability of the pump pulses from 230 to 700 nm. We demonstrate that the pump can initiate an ultrafast photochemical reaction and that the dynamics at different atomic sites can be resolved simultaneously. These capabilities will allow studies of the fastest electronic dynamics in a large range of photochemical, photobiological and photovoltaic reactions.

1700応用理学一般
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