Diffraction by nanocrystals

X-ray femtosecond nanocrystallography is a new, potentially powerful technique for imaging biological macromolecules that uses ensemble-averaged measurements of diffraction of x-ray free-electron laser pulses from nanocrytalline specimens. Nanocrystals have some diffraction characteristics that are...

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Published inJournal of the Optical Society of America. A, Optics, image science, and vision Vol. 30; no. 12; p. 2627
Main Authors Chen, Joe P J, Millane, Rick P
Format Journal Article
LanguageEnglish
Published United States 01.12.2013
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Abstract X-ray femtosecond nanocrystallography is a new, potentially powerful technique for imaging biological macromolecules that uses ensemble-averaged measurements of diffraction of x-ray free-electron laser pulses from nanocrytalline specimens. Nanocrystals have some diffraction characteristics that are distinct from those of macroscopic crystals, due to the presence of different kinds of unit cell in the crystal and of truncated unit cells on the crystal surface. Expressions are derived for diffraction by nanocrystals with variable and incomplete unit cells, averaged over a distribution of crystal sizes and shapes. The diffraction contains differently modulated Bragg components that are due to interference effects within and between the full and incomplete unit cells. Estimates are obtained for the relative magnitudes of the components. The nature of the diffraction is illustrated by two-dimensional simulations. Implications for molecular imaging are discussed.
AbstractList X-ray femtosecond nanocrystallography is a new, potentially powerful technique for imaging biological macromolecules that uses ensemble-averaged measurements of diffraction of x-ray free-electron laser pulses from nanocrytalline specimens. Nanocrystals have some diffraction characteristics that are distinct from those of macroscopic crystals, due to the presence of different kinds of unit cell in the crystal and of truncated unit cells on the crystal surface. Expressions are derived for diffraction by nanocrystals with variable and incomplete unit cells, averaged over a distribution of crystal sizes and shapes. The diffraction contains differently modulated Bragg components that are due to interference effects within and between the full and incomplete unit cells. Estimates are obtained for the relative magnitudes of the components. The nature of the diffraction is illustrated by two-dimensional simulations. Implications for molecular imaging are discussed.
Author Chen, Joe P J
Millane, Rick P
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Snippet X-ray femtosecond nanocrystallography is a new, potentially powerful technique for imaging biological macromolecules that uses ensemble-averaged measurements...
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SubjectTerms Algorithms
Computer Simulation
Crystallography, X-Ray - methods
Image Processing, Computer-Assisted
Lasers
Monte Carlo Method
Nanoparticles - chemistry
Nanotechnology - methods
X-Ray Diffraction
Title Diffraction by nanocrystals
URI https://www.ncbi.nlm.nih.gov/pubmed/24323025
Volume 30
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