TY  - JOUR
AU  - De Santis, Emiliano
AU  - Dawod, Ibrahim
AU  - André, Tomas
AU  - Cardoch, Sebastian
AU  - Timneanu, Nicusor
AU  - Caleman, Carl
TI  - Ultrafast X-ray laser-induced explosion: How the depth influences the direction of the ion trajectory
JO  - epl
VL  - 148
IS  - 1
SN  - 0295-5075
CY  - Les Ulis
PB  - EDP Sciences
M1  - PUBDB-2024-06716
SP  - 17001
PY  - 2024
AB  - Single particle imaging using X-ray lasers is a technique aiming to capture atomicresolution structures of biomolecules in their native state. Knowing the particle’s orientationduring exposure is crucial for method enhancement. It has been shown that the trajectories ofsulfur atoms in a Coulomb exploding lysozyme are reproducible, providing orientation information.This study explores if sulfur atom depth influences explosion trajectory. Employing a hybridcollisional-radiative/molecular dynamics model, we analyze the X-ray laser-induced dynamics ofa single sulfur ion at varying depths in water. Our findings indicate that the ion spread-depthrelationship depends on pulse parameters. At a photon energy of 2 keV, high-charge states areobtained, resulting in an increase of the spread with depth. However, at 8 keV photon energy,where lower charge states are obtained, the spread is essentially independent with depth. Finally,lower ion mass results in less reproducible trajectories, opening a promising route for determiningprotein orientation through the introduction of heavy atoms.
LB  - PUB:(DE-HGF)16
UR  - <Go to ISI:>//WOS:001332895500001
DO  - DOI:10.1209/0295-5075/ad7883
UR  - https://bib-pubdb1.desy.de/record/617350
ER  -