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29 papers
Protein eXplosion Imaging (PXI): Protein Structures from Laser-Driven Explosions
Alfredo Bellisario, Tomas André, Carl Caleman +1
We investigate the structural information retained in the distribution of explosion ion trajectories from proteins subjected to strong ionization. Using molecular-dynamics simulati…
MolDStruct: benchmarking a hybrid Monte Carlo/Molecular Dynamics model for X-ray free-electron laser ionisation and fragmentation dynamics
Friederike Krüger, Simon Liljeblad, Sebastian Cardoch +6
Single Particle Imaging with intense X-ray free-electron laser pulses requires modelling of the resulting ionisation and Coulomb explosion dynamics of biomolecules to optimise expe…
Orientation Reconstruction of Proteins using Coulomb Explosions
Tomas André, Alfredo Bellisario, Nicusor Timneanu +1
We solve the orientation recovery of a tumbling protein in the gas phase from single-event measurements of the spatial positions of its ions after an X-ray laser induced explosion.…
Nonlinear phenomena in X-ray fluorescence from single nanoparticles under extreme conditions
Sebastian Cardoch, Tamme Wollweber, Sarodi Jonak Dutta +26
Materials exposed to intense femtosecond X-ray pulses with energies above their K-shell absorption edge can enter an extremely ionized state, which could give rise to nonlinear phe…
Single-particle incoherent diffractive imaging and amplified spontaneous emission in copper nanocubes
Tamme Wollweber, Sarodi Jonak Dutta, Zhou Shen +26
We demonstrate element-specific incoherent diffractive imaging (IDI) of single copper nanocubes using intensity correlations of K fluorescence at a hard X-ray free-electron lase…
Partial Orientation Retrieval of Proteins From Coulomb Explosions
Tomas André, Emiliano De Santis, Nicusor Timneanu +1
Single Particle Imaging techniques at X-ray lasers have made significant strides, yet the challenge of determining the orientation of freely rotating molecules during delivery rema…