FS-CFEL-1

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2019-10-11
14:14
[PUBDB-2019-03656] Journal Article
et al
Coherent X-ray Imaging of CO-Adsorption-Induced Structural Changes in Pt Nanoparticles: Implications for Catalysis
Using coherent X-ray diffraction imaging (CXDI) as an in situ tool, we determined the shape and strain state of a platinum nanoparticle with ≈160 nm diameter supported by a strontium titanate substrate. The experiment was performed at a temperature of 400 K under continuous gas flow conditions of pure Ar and Ar/CO mixtures. [...]
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2019-10-09
15:29
[PUBDB-2019-03623] Bachelor Thesis

Simulation of artificial and biological nanoparticles’ trajectories in hybrid force-fields
Hamburg 79 pp. () = Bachelorarbeit, Universität Hamburg, 2019
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2019-09-24
11:12
[PUBDB-2019-03438] Conference Presentation (Other)
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Unraveling the ultrafast dynamics in indole-water
International Symposium on Molecular Beams, ISMB, EdinburghEdinburgh, Scotland, 23 Jun 2019 - 28 Jun 20192019-06-232019-06-28
Atomic and molecular properties strongly depend on the environment. For a protein in an aqueous environment, for instance, hydrogen bonds between the protein and surrounding water molecules strongly affect its folding and thereby also its function. [...]
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2019-09-11
10:48
[PUBDB-2019-03281] Conference Presentation (Invited)
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Ultrafast optical control and investigation of small molecules and complexes
12th Photonics Workshop, KopaonikKopaonik, Serbia, 10 Mar 2019 - 14 Mar 20192019-03-102019-03-14
Development of ultrashort laser pulses has enabled investigations of chemicalreactions and associated changes in molecular structure in real time. Thereby, limiting thenumber of degrees of freedom is critical for selective targeting and understanding of theunderlying processes [...]
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2019-09-05
09:45
OpenAccess [PUBDB-2019-03228] Journal Article
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Aerodynamically stabilized Taylor cone jets
We introduce a way to stabilize steady micro/nanoliquid jets issuing from Taylor cones together with coflowing gas streams. We study the dripping-jetting transition of this configuration theoretically through a global stability analysis as a function of the governing parameters involved [...]
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2019-09-03
10:50
[PUBDB-2019-03190] Contribution to a book

Megahertz serial crystallography
Hamburg : DESY, Photon Science 2018 : Copy deadline: December 2018, 76 – 79 ()
Barely two weeks after the European XFEL opened its doors to users, the first user experiment was performedby a DESY-led international team of over 120 researchers. The European XFEL is the first hard X-ray FEL in the world capable of producing femtosecond pulses at a megahertz repetition rate. [...]
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2019-09-03
09:43
[PUBDB-2019-03188] Contribution to a book

Cool chemistry with spatially separated molecular species
Hamburg : DESY, Photon science 2018 : Copy deadline: December 2018, 64 – 65 ()
Molecules are the entities defining the world around us, the building blocks of chemistry and biology. Everybody knows what a molecule is, but it’s far from trivial to define exactly what is a ‘molecule’ [...]
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2019-09-02
13:17
OpenAccess [PUBDB-2019-03171] Journal Article

Structural changes in the acceptor site of photosystem II upon Ca$^{2+}$/Sr$^{2+}$ exchange in the Mn$_4$CaO$_5$ Cluster Site and the Possible Long-Range Interactions
Biomolecules 9(8), 371 () [10.3390/biom9080371]  GO
The Mn4CaO5 cluster site in the oxygen-evolving complex (OEC) of photosystem II (PSII) undergoes structural perturbations, such as those induced by Ca$^{2+}$/Sr$^{2+}$ exchanges or Ca/Mn removal. These changes have been known to induce long-range positive shifts (between +30 and +150 mV) in the redox potential of the primary quinone electron acceptor plastoquinone A (QA), which is located 40 Å from the OEC. [...]
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2019-09-02
11:31
[PUBDB-2019-03163] Journal Article
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Thermodynamics of the S2-to-S3 State Transition of the Oxygen-Evolving Complex of Photosystem II
The room temperature pump-probe X-ray free electron laser (XFEL) measurements used for serial femtosecond crystallography provide remarkable information about the structures of the catalytic (S-state) intermediates of the oxygen-evolution reaction of photosystem II. However, mixed populations of these intermediates and moderate resolution limit the interpretation of the data from current experiments. [...]
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2019-08-30
14:01
OpenAccess [PUBDB-2019-03156] Journal Article
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XGANDALF – extended gradient descent algorithm for lattice finding
Serial crystallography records still diffraction patterns from single, randomly oriented crystals, then merges data from hundreds or thousands of them to form a complete data set. To process the data, the diffraction patterns must first be indexed, equivalent to determining the orientation of each crystal. [...]
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