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Start-to-end simulation of single-particle imaging using ultra-short pulses at the European X-ray Free-Electron Laser

Single-particle imaging with X-ray free-electron lasers (XFELs) has the potential to provide structural information at atomic resolution for non-crystalline biomolecules. This potential exists because ultra-short intense pulses can produce interpretable diffraction data notwithstanding radiation dam...

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Autores principales: Fortmann-Grote, Carsten, Buzmakov, Alexey, Jurek, Zoltan, Loh, Ne-Te Duane, Samoylova, Liubov, Santra, Robin, Schneidmiller, Evgeny A., Tschentscher, Thomas, Yakubov, Sergey, Yoon, Chun Hong, Yurkov, Michael V., Ziaja-Motyka, Beata, Mancuso, Adrian P.
Formato: Online Artículo Texto
Lenguaje:English
Publicado: International Union of Crystallography 2017
Materias:
Acceso en línea:https://www.ncbi.nlm.nih.gov/pmc/articles/PMC5619849/
https://www.ncbi.nlm.nih.gov/pubmed/28989713
http://dx.doi.org/10.1107/S2052252517009496
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author Fortmann-Grote, Carsten
Buzmakov, Alexey
Jurek, Zoltan
Loh, Ne-Te Duane
Samoylova, Liubov
Santra, Robin
Schneidmiller, Evgeny A.
Tschentscher, Thomas
Yakubov, Sergey
Yoon, Chun Hong
Yurkov, Michael V.
Ziaja-Motyka, Beata
Mancuso, Adrian P.
author_facet Fortmann-Grote, Carsten
Buzmakov, Alexey
Jurek, Zoltan
Loh, Ne-Te Duane
Samoylova, Liubov
Santra, Robin
Schneidmiller, Evgeny A.
Tschentscher, Thomas
Yakubov, Sergey
Yoon, Chun Hong
Yurkov, Michael V.
Ziaja-Motyka, Beata
Mancuso, Adrian P.
author_sort Fortmann-Grote, Carsten
collection PubMed
description Single-particle imaging with X-ray free-electron lasers (XFELs) has the potential to provide structural information at atomic resolution for non-crystalline biomolecules. This potential exists because ultra-short intense pulses can produce interpretable diffraction data notwithstanding radiation damage. This paper explores the impact of pulse duration on the interpretability of diffraction data using comprehensive and realistic simulations of an imaging experiment at the European X-ray Free-Electron Laser. It is found that the optimal pulse duration for molecules with a few thousand atoms at 5 keV lies between 3 and 9 fs.
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spelling pubmed-56198492017-10-06 Start-to-end simulation of single-particle imaging using ultra-short pulses at the European X-ray Free-Electron Laser Fortmann-Grote, Carsten Buzmakov, Alexey Jurek, Zoltan Loh, Ne-Te Duane Samoylova, Liubov Santra, Robin Schneidmiller, Evgeny A. Tschentscher, Thomas Yakubov, Sergey Yoon, Chun Hong Yurkov, Michael V. Ziaja-Motyka, Beata Mancuso, Adrian P. IUCrJ Research Letters Single-particle imaging with X-ray free-electron lasers (XFELs) has the potential to provide structural information at atomic resolution for non-crystalline biomolecules. This potential exists because ultra-short intense pulses can produce interpretable diffraction data notwithstanding radiation damage. This paper explores the impact of pulse duration on the interpretability of diffraction data using comprehensive and realistic simulations of an imaging experiment at the European X-ray Free-Electron Laser. It is found that the optimal pulse duration for molecules with a few thousand atoms at 5 keV lies between 3 and 9 fs. International Union of Crystallography 2017-09-01 /pmc/articles/PMC5619849/ /pubmed/28989713 http://dx.doi.org/10.1107/S2052252517009496 Text en © Carsten Fortmann-Grote et al. 2017 http://creativecommons.org/licenses/by/2.0/uk/ This is an open-access article distributed under the terms of the Creative Commons Attribution (CC-BY) Licence, which permits unrestricted use, distribution, and reproduction in any medium, provided the original authors and source are cited.http://creativecommons.org/licenses/by/2.0/uk/
spellingShingle Research Letters
Fortmann-Grote, Carsten
Buzmakov, Alexey
Jurek, Zoltan
Loh, Ne-Te Duane
Samoylova, Liubov
Santra, Robin
Schneidmiller, Evgeny A.
Tschentscher, Thomas
Yakubov, Sergey
Yoon, Chun Hong
Yurkov, Michael V.
Ziaja-Motyka, Beata
Mancuso, Adrian P.
Start-to-end simulation of single-particle imaging using ultra-short pulses at the European X-ray Free-Electron Laser
title Start-to-end simulation of single-particle imaging using ultra-short pulses at the European X-ray Free-Electron Laser
title_full Start-to-end simulation of single-particle imaging using ultra-short pulses at the European X-ray Free-Electron Laser
title_fullStr Start-to-end simulation of single-particle imaging using ultra-short pulses at the European X-ray Free-Electron Laser
title_full_unstemmed Start-to-end simulation of single-particle imaging using ultra-short pulses at the European X-ray Free-Electron Laser
title_short Start-to-end simulation of single-particle imaging using ultra-short pulses at the European X-ray Free-Electron Laser
title_sort start-to-end simulation of single-particle imaging using ultra-short pulses at the european x-ray free-electron laser
topic Research Letters
url https://www.ncbi.nlm.nih.gov/pmc/articles/PMC5619849/
https://www.ncbi.nlm.nih.gov/pubmed/28989713
http://dx.doi.org/10.1107/S2052252517009496
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