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

Xuanxuan Li, John Spence, Brenda Hogue, Haiguang Liu

Research output: Contribution to journalArticle

1 Citation (Scopus)

Abstract

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.

Original languageEnglish (US)
Pages (from-to)741-750
Number of pages10
JournalIUCrJ
Volume4
DOIs
StatePublished - 2017

Fingerprint

size determination
X ray lasers
Free electron lasers
Merging
free electron lasers
Nanoparticles
shot
Lasers
Diffraction
X-Rays
Electrons
nanoparticles
diffraction
Scattering
Imaging techniques
x rays
Biomolecules
Computational methods
Ultrashort pulses
Viruses

Keywords

  • core-shell architecture
  • nanoparticles
  • orientation determination
  • single-particle scattering
  • structure heterogeneity
  • XFELs

ASJC Scopus subject areas

  • Chemistry(all)
  • Biochemistry
  • Materials Science(all)
  • Condensed Matter Physics

Cite this

Merging single-shot XFEL diffraction data from inorganic nanoparticles : A new approach to size and orientation determination. / Li, Xuanxuan; Spence, John; Hogue, Brenda; Liu, Haiguang.

In: IUCrJ, Vol. 4, 2017, p. 741-750.

Research output: Contribution to journalArticle

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