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000617350 1001_ $$0P:(DE-HGF)0$$aDe Santis, Emiliano$$b0$$eCorresponding author
000617350 245__ $$aUltrafast X-ray laser-induced explosion: How the depth influences the direction of the ion trajectory
000617350 260__ $$aLes Ulis$$bEDP Sciences$$c2024
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000617350 520__ $$aSingle particle imaging using X-ray lasers is a technique aiming to capture atomicresolution structures of biomolecules in their native state. Knowing the particle’s orientationduring exposure is crucial for method enhancement. It has been shown that the trajectories ofsulfur atoms in a Coulomb exploding lysozyme are reproducible, providing orientation information.This study explores if sulfur atom depth influences explosion trajectory. Employing a hybridcollisional-radiative/molecular dynamics model, we analyze the X-ray laser-induced dynamics ofa single sulfur ion at varying depths in water. Our findings indicate that the ion spread-depthrelationship depends on pulse parameters. At a photon energy of 2 keV, high-charge states areobtained, resulting in an increase of the spread with depth. However, at 8 keV photon energy,where lower charge states are obtained, the spread is essentially independent with depth. Finally,lower ion mass results in less reproducible trajectories, opening a promising route for determiningprotein orientation through the introduction of heavy atoms.
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000617350 536__ $$0G:(EU-Grant)801406$$aMS SPIDOC - Mass Spectrometry for Single Particle Imaging of Dipole Oriented protein Complexes (801406)$$c801406$$fH2020-FETOPEN-1-2016-2017$$x2
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000617350 542__ $$2Crossref$$i2024-10-10$$uhttps://iopscience.iop.org/info/page/text-and-data-mining
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000617350 7001_ $$0P:(DE-HGF)0$$aDawod, Ibrahim$$b1
000617350 7001_ $$0P:(DE-H253)PIP1103745$$aAndré, Tomas$$b2
000617350 7001_ $$0P:(DE-H253)PIP1096981$$aCardoch, Sebastian$$b3
000617350 7001_ $$0P:(DE-H253)PIP1008264$$aTimneanu, Nicusor$$b4
000617350 7001_ $$0P:(DE-H253)PIP1011740$$aCaleman, Carl$$b5$$eCorresponding author
000617350 77318 $$2Crossref$$3journal-article$$a10.1209/0295-5075/ad7883$$bIOP Publishing$$d2024-10-01$$n1$$p17001$$tEurophysics Letters$$v148$$x0295-5075$$y2024
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