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Merging single-shot XFEL diffraction data from inorganic nanoparticles: a new approach to size and orientation determination

X-ray free-electron lasers (XFELs) provide new opportunities for structure determination of biomolecules, viruses and nanomaterials. With unprecedented peak brilliance and ultra-short pulse duration, XFELs can tolerate higher X-ray doses by exploiting the femtosecond-scale exposure time, and can thu...

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Autores principales: Li, Xuanxuan, Spence, John C. H., Hogue, Brenda G., Liu, Haiguang
Formato: Online Artículo Texto
Lenguaje:English
Publicado: International Union of Crystallography 2017
Materias:
Acceso en línea:https://www.ncbi.nlm.nih.gov/pmc/articles/PMC5668859/
https://www.ncbi.nlm.nih.gov/pubmed/29123676
http://dx.doi.org/10.1107/S2052252517012398
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author Li, Xuanxuan
Spence, John C. H.
Hogue, Brenda G.
Liu, Haiguang
author_facet Li, Xuanxuan
Spence, John C. H.
Hogue, Brenda G.
Liu, Haiguang
author_sort Li, Xuanxuan
collection PubMed
description X-ray free-electron lasers (XFELs) provide new opportunities for structure determination of biomolecules, viruses and nanomaterials. With unprecedented peak brilliance and ultra-short pulse duration, XFELs can tolerate higher X-ray doses by exploiting the femtosecond-scale exposure time, and can thus go beyond the resolution limits achieved with conventional X-ray diffraction imaging techniques. Using XFELs, it is possible to collect scattering information from single particles at high resolution, however particle heterogeneity and unknown orientations complicate data merging in three-dimensional space. Using the Linac Coherent Light Source (LCLS), synthetic inorganic nanocrystals with a core–shell architecture were used as a model system for proof-of-principle coherent diffractive single-particle imaging experiments. To deal with the heterogeneity of the core–shell particles, new computational methods have been developed to extract the particle size and orientation from the scattering data to assist data merging. The size distribution agrees with that obtained by electron microscopy and the merged data support a model with a core–shell architecture.
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spelling pubmed-56688592017-11-09 Merging single-shot XFEL diffraction data from inorganic nanoparticles: a new approach to size and orientation determination Li, Xuanxuan Spence, John C. H. Hogue, Brenda G. Liu, Haiguang IUCrJ Research Papers X-ray free-electron lasers (XFELs) provide new opportunities for structure determination of biomolecules, viruses and nanomaterials. With unprecedented peak brilliance and ultra-short pulse duration, XFELs can tolerate higher X-ray doses by exploiting the femtosecond-scale exposure time, and can thus go beyond the resolution limits achieved with conventional X-ray diffraction imaging techniques. Using XFELs, it is possible to collect scattering information from single particles at high resolution, however particle heterogeneity and unknown orientations complicate data merging in three-dimensional space. Using the Linac Coherent Light Source (LCLS), synthetic inorganic nanocrystals with a core–shell architecture were used as a model system for proof-of-principle coherent diffractive single-particle imaging experiments. To deal with the heterogeneity of the core–shell particles, new computational methods have been developed to extract the particle size and orientation from the scattering data to assist data merging. The size distribution agrees with that obtained by electron microscopy and the merged data support a model with a core–shell architecture. International Union of Crystallography 2017-09-22 /pmc/articles/PMC5668859/ /pubmed/29123676 http://dx.doi.org/10.1107/S2052252517012398 Text en © Xuanxuan Li 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 Papers
Li, Xuanxuan
Spence, John C. H.
Hogue, Brenda G.
Liu, Haiguang
Merging single-shot XFEL diffraction data from inorganic nanoparticles: a new approach to size and orientation determination
title Merging single-shot XFEL diffraction data from inorganic nanoparticles: a new approach to size and orientation determination
title_full Merging single-shot XFEL diffraction data from inorganic nanoparticles: a new approach to size and orientation determination
title_fullStr Merging single-shot XFEL diffraction data from inorganic nanoparticles: a new approach to size and orientation determination
title_full_unstemmed Merging single-shot XFEL diffraction data from inorganic nanoparticles: a new approach to size and orientation determination
title_short Merging single-shot XFEL diffraction data from inorganic nanoparticles: a new approach to size and orientation determination
title_sort merging single-shot xfel diffraction data from inorganic nanoparticles: a new approach to size and orientation determination
topic Research Papers
url https://www.ncbi.nlm.nih.gov/pmc/articles/PMC5668859/
https://www.ncbi.nlm.nih.gov/pubmed/29123676
http://dx.doi.org/10.1107/S2052252517012398
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