The case for data science in experimental chemistry: examples and recommendations

J Yano, KJ Gaffney, J Gregoire, L Hung… - Nature Reviews …, 2022 - nature.com
The physical sciences community is increasingly taking advantage of the possibilities
offered by modern data science to solve problems in experimental chemistry and potentially …

[HTML][HTML] SYNAPSE: An international roadmap to large brain imaging

APJ Stampfl, Z Liu, J Hu, K Sawada, H Takano… - Physics Reports, 2023 - Elsevier
Since 2020, synchrotron radiation facilities in several Asia-Pacific countries have been
collaborating in a major project called “SYNAPSE”(Synchrotrons for Neuroscience: an Asia …

[HTML][HTML] Perspectives on single particle imaging with x rays at the advent of high repetition rate x-ray free electron laser sources

J Bielecki, FRNC Maia, AP Mancuso - Structural Dynamics, 2020 - pubs.aip.org
X-ray free electron lasers (XFELs) now routinely produce millijoule level pulses of x-ray
photons with tens of femtoseconds duration. Such x-ray intensities gave rise to the idea that …

3D diffractive imaging of nanoparticle ensembles using an x-ray laser

K Ayyer, PL Xavier, J Bielecki, Z Shen, BJ Daurer… - Optica, 2020 - opg.optica.org
Single particle imaging at x-ray free electron lasers (XFELs) has the potential to determine
the structure and dynamics of single biomolecules at room temperature. Two major hurdles …

[HTML][HTML] Single-particle imaging by x-ray free-electron lasers—How many snapshots are needed?

I Poudyal, M Schmidt, P Schwander - Structural Dynamics, 2020 - pubs.aip.org
X-ray free-electron lasers (XFELs) open the possibility of obtaining diffraction information
from a single biological macromolecule. This is because XFELs can generate extremely …

Three-Dimensional Quantitative Coherent Diffraction Imaging of Staphylococcus aureus Treated with Peptide-Mineralized Au-Cluster Probes

T Li, B He, X Zhang, J Fan, L Gao, Z Sun… - Analytical …, 2022 - ACS Publications
Characterizing interactions between microbial cells and their specific inhibitory drugs is
essential for developing effective drugs and understanding the therapeutic mechanism …

Water layer and radiation damage effects on the orientation recovery of proteins in single-particle imaging at an X-ray free-electron laser

M Stransky, Z Shen, Z Jurek, C Fortmann-Grote… - Scientific reports, 2023 - nature.com
The noise caused by sample heterogeneity (including sample solvent) has been identified
as one of the determinant factors for a successful X-ray single-particle imaging experiment. It …

Three-dimensional femtosecond snapshots of isolated faceted nanostructures

A Colombo, S Dold, P Kolb, N Bernhardt, P Behrens… - Science …, 2023 - science.org
The structure and dynamics of isolated nanosamples in free flight can be directly visualized
via single-shot coherent diffractive imaging using the intense and short pulses of x-ray free …

[PDF][PDF] Unsupervised learning approaches to characterizing heterogeneous samples using X-ray single-particle imaging

Y Zhuang, S Awel, A Barty, R Bean, J Bielecki… - IUCrJ, 2022 - journals.iucr.org
One of the outstanding analytical problems in X-ray single-particle imaging (SPI) is the
classification of structural heterogeneity, which is especially difficult given the low signal-to …

Bayesian electron density determination from sparse and noisy single-molecule X-ray scattering images

S Schultze, H Grubmüller - Science Advances, 2024 - science.org
Single molecule x-ray scattering experiments using free-electron lasers hold the potential to
resolve biomolecular structures and structural ensembles. However, molecular electron …