Publications by authors named "B Daurer"

Article Synopsis
  • Nanoparticles with varied structures are a major focus in research, and new techniques like high-throughput single-particle imaging (SPI) with X-ray free-electron lasers (XFELs) are now enabling the analysis of millions of these particles.
  • To effectively utilize this technology, researchers faced three key challenges: understanding structural variability, extracting relevant parameters from measurements, and comparing multiple structural models to the data collected.
  • By addressing these challenges, scientists mapped the diverse shapes of gold nanoparticles, revealing important insights into their asymmetry, stable shape patterns, and how external factors like surfactants influence their structure, making nanoparticle characterization more reliable.
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Ewald sphere curvature correction, which extends beyond the projection approximation, stretches the shallow depth of field in cryo-EM reconstructions of thick particles. Here we show that even for previously assumed thin particles, reconstruction artifacts which we refer to as ghosts can appear. By retrieving the lost phases of the electron exitwaves and accounting for the first Born approximation scattering within the particle, we show that these ghosts can be effectively eliminated.

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The idea of using ultrashort X-ray pulses to obtain images of single proteins frozen in time has fascinated and inspired many. It was one of the arguments for building X-ray free-electron lasers. According to theory, the extremely intense pulses provide sufficient signal to dispense with using crystals as an amplifier, and the ultrashort pulse duration permits capturing the diffraction data before the sample inevitably explodes.

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Article Synopsis
  • * Two innovative methods are proposed: common-line principal component analysis (PCA) for rough, automated classification, and variation auto-encoders (VAEs) for generating detailed 3D structures of objects.
  • * Implemented with a noise-tolerant algorithm, these methods show effectiveness on experimental datasets from gold nanoparticles, paving the way for new research on diverse topics like nanocrystal growth and phase transitions.
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Single Particle Imaging (SPI) with intense coherent X-ray pulses from X-ray free-electron lasers (XFELs) has the potential to produce molecular structures without the need for crystallization or freezing. Here we present a dataset of 285,944 diffraction patterns from aerosolized Coliphage PR772 virus particles injected into the femtosecond X-ray pulses of the Linac Coherent Light Source (LCLS). Additional exposures with background information are also deposited.

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