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The role of transient resonances for ultra-fast imaging of single sucrose nanoclusters
Argonne Natl Lab, Chem Sci & Engn Div, 9700 S Cass Ave, Argonne, IL 60439 USA.
Uppsala University, Disciplinary Domain of Science and Technology, Biology, Department of Cell and Molecular Biology, Molecular biophysics.ORCID iD: 0000-0002-1887-7551
Uppsala University, Disciplinary Domain of Science and Technology, Biology, Department of Cell and Molecular Biology, Molecular biophysics. Univ Oxford, Chem Res Lab, Dept Chem, 12 Mansfield Rd, Oxford OX1 3TA, England.ORCID iD: 0000-0003-1251-0465
Uppsala University, Disciplinary Domain of Science and Technology, Biology, Department of Cell and Molecular Biology, Molecular biophysics. European XFEL GmbH, Holzkoppel 4, D-22869 Schenefeld, Germany.
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2020 (English)In: Nature Communications, ISSN 2041-1723, E-ISSN 2041-1723, Vol. 11, article id 167Article in journal (Refereed) Published
Abstract [en]

Intense x-ray free-electron laser (XFEL) pulses hold great promise for imaging function in nanoscale and biological systems with atomic resolution. So far, however, the spatial resolution obtained from single shot experiments lags averaging static experiments. Here we report on a combined computational and experimental study about ultrafast diffractive imaging of sucrose clusters which are benchmark organic samples. Our theoretical model matches the experimental data from the water window to the keV x-ray regime. The large-scale dynamic scattering calculations reveal that transient phenomena driven by non-linear x-ray interaction are decisive for ultrafast imaging applications. Our study illuminates the complex interplay of the imaging process with the rapidly changing transient electronic structures in XFEL experiments and shows how computational models allow optimization of the parameters for ultrafast imaging experiments. X-ray free electron lasers provide high photon flux to explore single particle diffraction imaging of biological samples. Here the authors present dynamic electronic structure calculations and benchmark them to single-particle XFEL diffraction data of sucrose clusters to predict optimal single-shot imaging conditions.

Place, publisher, year, edition, pages
NATURE PUBLISHING GROUP , 2020. Vol. 11, article id 167
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Atom and Molecular Physics and Optics
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URN: urn:nbn:se:uu:diva-406723DOI: 10.1038/s41467-019-13905-9ISI: 000510942100001PubMedID: 31919346OAI: oai:DiVA.org:uu-406723DiVA, id: diva2:1415595
Funder
Swedish Research CouncilKnut and Alice Wallenberg FoundationEU, European Research CouncilSwedish Foundation for Strategic Research The Swedish Foundation for International Cooperation in Research and Higher Education (STINT)Wellcome trust, 204732/Z/16/ZAvailable from: 2020-03-19 Created: 2020-03-19 Last updated: 2020-03-19Bibliographically approved

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