Publications

@article{ROTH2024168820,

title = {New aerodynamic lens injector for single particle diffractive imaging},

author = {Nils Roth and Daniel A. Horke and Jannik L\"{u}bke and Amit K. Samanta and Armando D. Estillore and Lena Worbs and Nicolai Pohlman and Kartik Ayyer and Andrew Morgan and Holger Fleckenstein and Martin Domaracky and Benjamin Erk and Christopher Passow and Jonathan Correa and Oleksandr Yefanov and Anton Barty and Sa\v{s}a Bajt and Richard A. Kirian and Henry N. Chapman and Jochen K\"{u}pper},

url = {https://www.sciencedirect.com/science/article/pii/S0168900223008112},

doi = {https://doi.org/10.1016/j.nima.2023.168820},

issn = {0168-9002},

year  = {2024},

date = {2024-01-01},

urldate = {2024-01-01},

journal = {Nuclear Instruments and Methods in Physics Research Section A: Accelerators, Spectrometers, Detectors and Associated Equipment},

volume = {1058},

pages = {168820},

abstract = {An aerodynamic lens injector was developed specifically for the needs of single-particle diffractive imaging experiments at free-electron lasers. Its design allows for quick changes of injector geometries and focusing properties in order to optimize injection for specific individual samples. Here, we present results of its first use at the FLASH free-electron-laser facility. Recorded diffraction patterns of polystyrene spheres are modeled using Mie scattering, which allowed for the characterization of the particle beam under diffractive-imaging conditions and yielded good agreement with particle-trajectory simulations. The complex refractive index of polystyrene at λ=4.5nm was determined as m=0.976−0.001i.},

keywords = {crystallography, diffractive imaging, experimental design, nanoparticles, Simulation, Single-particle imaging, XFEL},

pubstate = {published},

tppubtype = {article}

}

@article{Roth:JournalofAerosolScience124:17,

title = {Optimizing Aerodynamic Lenses for Single-Particle Imaging},

author = {Nils Roth and Salah Awel and Daniel A. Horke and Jochen K\"{u}pper},

url = {http://www.sciencedirect.com/science/article/pii/S0021850217304652},

doi = {10.1016/j.jaerosci.2018.06.010},

issn = {0021-8502},

year  = {2018},

date = {2018-10-01},

urldate = {2019-01-15},

journal = {Journal of Aerosol Science},

volume = {124},

pages = {17--29},

abstract = {A numerical simulation infrastructure capable of calculating the flow of gas and the trajectories of particles through an aerodynamic lens injector is presented. The simulations increase the fundamental understanding and predict optimized injection geometries and parameters. Our simulation results were compared to previous reports and also validated against experimental data for 500 nm polystyrene spheres from an aerosol-beam-characterization setup. The simulations yielded a detailed understanding of the radial phase-space distribution and highlighted weaknesses of current aerosol injectors for single-particle diffractive imaging. With the aid of these simulations we developed new experimental implementations to overcome current limitations.},

keywords = {experimental design, nanoparticles, Simulation, Single-particle imaging},

pubstate = {published},

tppubtype = {article}

}

@article{Teschmit:Angew.Chem.Int.Ed.57:13775,

title = {Spatially Separating the Conformers of a Dipeptide},

author = {Nicole Teschmit and Daniel A. Horke and Jochen K\"{u}pper},

url = {https://onlinelibrary.wiley.com/doi/full/10.1002/anie.201807646},

doi = {10.1002/anie.201807646},

year  = {2018},

date = {2018-08-01},

journal = {Angew. Chem. Int. Ed.},

volume = {57},

pages = {13775--13779},

keywords = {Control, electrostatic deflector, Isomer-effects, Simulation},

pubstate = {published},

tppubtype = {article}

}

@article{Horke:Angew.Chem.Int.Ed.53:11965,

title = {Separating Para and Ortho Water},

author = {Daniel A Horke and Yuan-Pin Chang and Karol D\lugo\l\k{e}cki and Jochen K\"{u}pper},

url = {http://onlinelibrary.wiley.com/doi/10.1002/anie.201405986/full},

doi = {10.1002/anie.201405986},

year  = {2014},

date = {2014-10-01},

journal = {Angew. Chem. Int. Ed.},

volume = {53},

number = {44},

pages = {11965--11968},

keywords = {Control, electrostatic deflector, Simulation},

pubstate = {published},

tppubtype = {article}

}

@article{Horke:AngewandteChemie126:12159,

title = {Trennung von Para-und ortho-Wasser},

author = {Daniel A Horke and Yuan-Pin Chang and Karol D\lugo\l\k{e}cki and Jochen K\"{u}pper},

url = {http://onlinelibrary.wiley.com/doi/10.1002/ange.201405986/full},

doi = {10.1002/ange.201405986},

year  = {2014},

date = {2014-10-01},

journal = {Angewandte Chemie},

volume = {126},

number = {44},

pages = {12159--12162},

keywords = {Control, electrostatic deflector, Simulation},

pubstate = {published},

tppubtype = {article}

}

@article{Kierspel:Chem.Phys.Lett.591:130,

title = {Spatially Separated Polar Samples of the Cis and Trans Conformers of 3-Fluorophenol},

author = {Thomas Kierspel and Daniel A Horke and Yuan-Pin Chang and Jochen K\"{u}pper},

url = {http://www.sciencedirect.com/science/article/pii/S0009261413014000},

doi = {10.1016/j.cplett.2013.11.010},

year  = {2014},

date = {2014-01-01},

journal = {Chem. Phys. Lett.},

volume = {591},

number = {0},

pages = {130--132},

keywords = {Control, electrostatic deflector, Isomer-effects, Simulation},

pubstate = {published},

tppubtype = {article}

}