1. Few-fs resolution of a photoactive protein traversing a conical intersection.
- Author
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Hosseinizadeh A, Breckwoldt N, Fung R, Sepehr R, Schmidt M, Schwander P, Santra R, and Ourmazd A
- Subjects
- Electrons, Isomerism, Quantum Theory, Reproducibility of Results, Spectrum Analysis, Time Factors, Bacterial Proteins chemistry, Bacterial Proteins metabolism, Machine Learning, Photoreceptors, Microbial chemistry, Photoreceptors, Microbial metabolism, Video Recording
- Abstract
The structural dynamics of a molecule are determined by the underlying potential energy landscape. Conical intersections are funnels connecting otherwise separate potential energy surfaces. Posited almost a century ago
1 , conical intersections remain the subject of intense scientific interest2-5 . In biology, they have a pivotal role in vision, photosynthesis and DNA stability6 . Accurate theoretical methods for examining conical intersections are at present limited to small molecules. Experimental investigations are challenged by the required time resolution and sensitivity. Current structure-dynamical understanding of conical intersections is thus limited to simple molecules with around ten atoms, on timescales of about 100 fs or longer7 . Spectroscopy can achieve better time resolutions8 , but provides indirect structural information. Here we present few-femtosecond, atomic-resolution videos of photoactive yellow protein, a 2,000-atom protein, passing through a conical intersection. These videos, extracted from experimental data by machine learning, reveal the dynamical trajectories of de-excitation via a conical intersection, yield the key parameters of the conical intersection controlling the de-excitation process and elucidate the topography of the electronic potential energy surfaces involved., (© 2021. The Author(s), under exclusive licence to Springer Nature Limited.)- Published
- 2021
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