@phdthesis{Schulz2016,
  author    = {Schulz, Alexander},
  title     = {Untersuchung der Wechselwirkung synoptisch-skaliger mit orographisch bedingten Prozessen in der arktischen Grenzschicht {\"u}ber Spitzbergen},
  url       = {http://nbn-resolving.de/urn:nbn:de:kobv:517-opus4-400058},
  school      = {Universit{\"a}t Potsdam},
  pages     = {vi, 194},
  year      = {2016},
  abstract  = {In der vorliegenden Arbeit wird die planetare Grenzschicht in Ny-{\AA}lesund, Spitzbergen, sowohl bez{\"u}glich kleinskaliger („mikrometeorologischer") Effekte als auch in ihrer Kopplung mit der Synoptik untersucht. Dazu werden verschiedene Beobachtungsdaten aus der S{\"a}ule und in Bodenn{\"a}he zusammengezogen und bewertet. Die so gewonnenen Datens{\"a}tze werden dann zur Validierung eines nicht-hydrostatischen, regionalen Klimamodells genutzt. Weiterhin werden orographisch bedingte Einfl{\"u}sse, die Untergrundbeschaffenheit und die lokale Heterogenit{\"a}t der Unterlage untersucht. Hierzu werden meteorologische Gr{\"o}ßen, wie die Variabilit{\"a}t der Temperatur und insbesondere die j{\"a}hrliche Windverteilung in Bodenn{\"a}he untersucht und es erfolgt ein Vergleich von in-situ gemessenen turbulenten Fl{\"u}ssen von den Eddy-Kovarianz-Messkomplexen bei Ny-{\AA}lesund und im Bayelva-Tal unter demselben Aspekt. Es zeigt sich, dass der Eddy-Kovarianz-Messkomplex im Bayelva-Tal sehr stark durch eine orographisch bedingte Kanalisierung der Str{\"o}mung beeinflusst ist und sich nicht f{\"u}r Vergleiche mit regionalen Klimamodellen mit horizontalen Aufl{\"o}sungen von <1km eignet. Die hohe Bodenfeuchte im Bayelva-Tal f{\"u}hrt zudem zu einem deutlich kleineren Bowen-Verh{\"a}ltnis, als es f{\"u}r diese Region zu erwarten ist. Der Eddy-Kovarianz-Messkomplex bei Ny-{\AA}lesund erweist sich hingegen als geeigneter f{\"u}r solche Modellvergleiche, aufgrund der typischen, k{\"u}stennahen Windverteilung und des repr{\"a}sentativen Footprints. Letzteres wird durch die Bestimmung der Footprint-Klimatologie des Jahres 2013 mit einem aktuellen Footprint-Modell erarbeitet. Weiterhin wird die Auswirkung von (Anti-) Zyklonen {\"u}ber den Archipel auf die zeitliche Variabilit{\"a}t der lokalen Grenzschichteigenschaften untersucht und bewertet. Dazu wird ein Zyklonen-Detektions-Algorithmus auf ERA-Interim-Reanalysedatens{\"a}tze angewendet, wodurch die H{\"a}ufigkeit von nahezu ideal konzentrischen Hoch- und die Tiefdruckgebieten f{\"u}r drei Jahre bestimmt wird. Aus dieser Verteilung werden insgesamt drei interessante Zeitr{\"a}ume zu verschiedenen Jahreszeiten ausgew{\"a}hlt und im Rahmen von Prozessstudien die lokalen bodennahen meteorologischen Messungen, der turbulente Austausch an der Oberfl{\"a}che und die Grenzschichtdynamik in der S{\"a}ule untersucht. Die zeitliche Variabilit{\"a}t der dynamischen Grenzschichtstabilit{\"a}t in der S{\"a}ule wird anhand von zeitlich hoch aufgel{\"o}sten vertikalen Profilen der Bulk-Richardson-Zahl aus Kompositprofilen aus Fernerkundungsinstrumenten (Radiometer, Wind-LIDAR) sowie Mastdaten (BSRN-Mast) untersucht und die Grenzschichth{\"o}he ermittelt. Aus diesen Analysen ergibt sich eine deutliche Abh{\"a}ngigkeit der thermischen Stabilit{\"a}t beim Durchzug von Fronten, eine damit einhergehende erhebliche Abh{\"a}ngigkeit der Grenzschichtdynamik und der Grenzschichth{\"o}he sowie des turbulenten Austauschs von der zeitlichen Variabilit{\"a}t der Windgeschwindigkeit in der S{\"a}ule. Auf Grundlage der Standortanalysen und Prozessstudien erfolgt ein Vergleich der bodennahen Messungen und den Beobachtungen aus der S{\"a}ule, sowohl von den genannten Fernerkundungsinstrumenten als auch von In-situ-Messungen (Radiosonden) f{\"u}r den Zeitraum einer Radiosondierungskampagne mit dem nicht-hydrostatischen, regionalen Klimamodel WRF (ARW). Auf Grundlage der Fragestellung, inwieweit aktuelle Schemata die Grenzschichtcharakteristika in orographisch stark gegliedertem Gel{\"a}nde in der Arktis reproduzieren k{\"o}nnen, werden zwei Grenzschichtparametrisierungsschemata mit verschiedenen Ordnungen der Schließung validiert. Hierzu wird die zeitliche Variabilit{\"a}t der Temperatur, der Feuchte und des Windfeldes in der S{\"a}ule bis 2000m in den Simulationen mit den Beobachtungsdaten vergleichen. Es wird gezeigt, dass durch Modifikation der Initialwertfelder eine sehr gute {\"U}bereinstimmung zwischen den Simulationen und den Beobachtungen bereits bei einer horizontalen Aufl{\"o}sung von 1km erreicht werden kann und die Wahl des Grenzschichtschemas nur untergeordneten Einfluss hat. Hieraus werden Ans{\"a}tze der Weiterentwicklung der Parametrisierungen, aber auch Empfehlungen bez{\"u}glich der Initialwertfelder, wie der Landmaske und der Orographie, vorgeschlagen.},
  language  = {de}
}
@phdthesis{Schroeder2016,
  author    = {Schr{\"o}der, Henning},
  title     = {Ultrafast electron dynamics in Fe(CO)5 and Cr(CO)6},
  url       = {http://nbn-resolving.de/urn:nbn:de:kobv:517-opus4-94589},
  school      = {Universit{\"a}t Potsdam},
  pages     = {v, 87},
  year      = {2016},
  abstract  = {In this thesis, the two prototype catalysts Fe(CO)₅ and Cr(CO)₆ are investigated with time-resolved photoelectron spectroscopy at a high harmonic setup. In both of these metal carbonyls, a UV photon can induce the dissociation of one or more ligands of the complex. The mechanism of the dissociation has been debated over the last decades. The electronic dynamics of the first dissociation occur on the femtosecond timescale. For the experiment, an existing high harmonic setup was moved to a new location, was extended, and characterized. The modified setup can induce dynamics in gas phase samples with photon energies of 1.55eV, 3.10eV, and 4.65eV. The valence electronic structure of the samples can be probed with photon energies between 20eV and 40eV. The temporal resolution is 111fs to 262fs, depending on the combination of the two photon energies. The electronically excited intermediates of the two complexes, as well as of the reaction product Fe(CO)₄, could be observed with photoelectron spectroscopy in the gas phase for the first time. However, photoelectron spectroscopy gives access only to the final ionic states. Corresponding calculations to simulate these spectra are still in development. The peak energies and their evolution in time with respect to the initiation pump pulse have been determined, these peaks have been assigned based on literature data. The spectra of the two complexes show clear differences. The dynamics have been interpreted with the assumption that the motion of peaks in the spectra relates to the movement of the wave packet in the multidimensional energy landscape. The results largely confirm existing models for the reaction pathways. In both metal carbonyls, this pathway involves a direct excitation of the wave packet to a metal-to-ligand charge transfer state and the subsequent crossing to a dissociative ligand field state. The coupling of the electronic dynamics to the nuclear dynamics could explain the slower dissociation in Fe(CO)₅ as compared to Cr(CO)₆.},
  language  = {en}
}
@article{SchroetterBoucheWendtetal.2016,
  author    = {Schroetter, I. and Bouche, Nicolas and Wendt, Martin and Contini, Thierry and Finley, H. and Pello, R. and Bacon, Roland and Cantalupo, Sebastiano and Marino, Raffaella Anna and Richard, J. and Lilly, S. J. and Schaye, Joop and Soto, K. and Steinmetz, Matthias and Straka, Lorrie A. and Wisotzki, Lutz},
  title     = {MUSE GAS FLOW AND WIND (MEGAFLOW). I. FIRST MUSE RESULTS ON BACKGROUND QUASARS},
  series = {The astrophysical journal : an international review of spectroscopy and astronomical physics},
  volume    = {833},
  journal   = {The astrophysical journal : an international review of spectroscopy and astronomical physics},
  publisher = {IOP Publ. Ltd.},
  address   = {Bristol},
  issn      = {0004-637X},
  doi       = {10.3847/1538-4357/833/1/39},
  pages     = {17},
  year      = {2016},
  abstract  = {The physical properties of galactic winds are one of the keys to understand galaxy formation and evolution. These properties can be constrained thanks to background quasar lines of sight (LOS) passing near star-forming galaxies (SFGs). We present the first results of the MusE GAs FLOw and Wind survey obtained from two quasar fields, which have eight Mg II absorbers of which three have rest equivalent width greater than 0.8 angstrom. With the new Multi Unit Spectroscopic Explorer (MUSE) spectrograph on the Very Large Telescope (VLT), we detect six (75\%) Mg II host galaxy candidates within a radius of 30. from the quasar LOS. Out of these six galaxy-quasar pairs, from geometrical argument, one is likely probing galactic outflows, where two are classified as "ambiguous,"two are likely probing extended gaseous disks and one pair seems to be a merger. We focus on the wind-pair and constrain the outflow using a high-resolution quasar spectra from the Ultraviolet and Visual Echelle Spectrograph. Assuming the metal absorption to be due to ga;s flowing out of the detected galaxy through a cone along the minor axis, we find outflow velocities in the order of approximate to 150 km s(-1) (i.e., smaller than the escape velocity) with a loading factor, eta = M-out/SFR, of approximate to 0.7. We see evidence for an open conical flow, with a low-density inner core. In the future, MUSE will provide us with about 80 multiple galaxy-quasar pairs in two dozen fields.},
  language  = {en}
}
@article{SchreckWernet2016,
  author    = {Schreck, Simon and Wernet, Philippe},
  title     = {Isotope effects in liquid water probed by transmission mode x-ray absorption spectroscopy at the oxygen K-edge},
  series = {The journal of chemical physics : bridges a gap between journals of physics and journals of chemistr},
  volume    = {145},
  journal   = {The journal of chemical physics : bridges a gap between journals of physics and journals of chemistr},
  publisher = {American Institute of Physics},
  address   = {Melville},
  issn      = {0021-9606},
  doi       = {10.1063/1.4962237},
  pages     = {24 -- 32},
  year      = {2016},
  abstract  = {The effects of isotope substitution in liquid water are probed by x-ray absorption spectroscopy at the O K-edge as measured in transmission mode. Confirming earlier x-ray Raman scattering experiments, the D2O spectrum is found to be blue shifted with respect to H2O, and the D2O spectrum to be less broadened. Following the earlier interpretations of UV and x-ray Raman spectra, the shift is related to the difference in ground-state zero-point energies between D2O and H2O, while the difference in broadening is related to the difference in ground-state vibrational zero-point distributions. We demonstrate that the transmission-mode measurements allow for determining the spectral shapes with unprecedented accuracy. Owing in addition to the increased spectral resolution and signal to noise ratio compared to the earlier measurements, the new data enable the stringent determination of blue shift and broadening in the O K-edge x-ray absorption spectrum of liquid water upon isotope substitution. The results are compared to UV absorption data, and it is discussed to which extent they reflect the differences in zero-point energies and vibrational zero-point distributions in the ground-states of the liquids. The influence of the shape of the final-state potential, inclusion of the Franck-Condon structure, and differences between liquid H2O and D2O resulting from different hydrogen-bond environments in the liquids are addressed. The differences between the O K-edge absorption spectra of water from our transmission-mode measurements and from the state-of-the-art x-ray Raman scattering experiments are discussed in addition. The experimentally extracted values of blue shift and broadening are proposed to serve as a test for calculations of ground-state zero-point energies and vibrational zero-point distributions in liquid H2O and D2O. This clearly motivates the need for new calculations of the O K-edge x-ray absorption spectrum of liquid water. Published by AIP Publishing.},
  language  = {en}
}
@article{SchreckPietzschKennedyetal.2016,
  author    = {Schreck, Simon and Pietzsch, Annette and Kennedy, Brian and Sathe, Conny and Miedema, Piter S. and Techert, Simone and Strocov, Vladimir N. and Schmitt, Thorsten and Hennies, Franz and Rubensson, Jan-Erik and F{\"o}hlisch, Alexander},
  title     = {Ground state potential energy surfaces around selected atoms from resonant inelastic x-ray scattering},
  series = {Scientific reports},
  volume    = {6},
  journal   = {Scientific reports},
  publisher = {Nature Publ. Group},
  address   = {London},
  issn      = {2045-2322},
  doi       = {10.1038/srep20054},
  pages     = {7},
  year      = {2016},
  abstract  = {Thermally driven chemistry as well as materials' functionality are determined by the potential energy surface of a systems electronic ground state. This makes the potential energy surface a central and powerful concept in physics, chemistry and materials science. However, direct experimental access to the potential energy surface locally around atomic centers and to its long-range structure are lacking. Here we demonstrate how sub-natural linewidth resonant inelastic soft x-ray scattering at vibrational resolution is utilized to determine ground state potential energy surfaces locally and detect long-range changes of the potentials that are driven by local modifications. We show how the general concept is applicable not only to small isolated molecules such as O2 but also to strongly interacting systems such as the hydrogen bond network in liquid water. The weak perturbation to the potential energy surface through hydrogen bonding is observed as a trend towards softening of the ground state potential around the coordinating atom. The instrumental developments in high resolution resonant inelastic soft x-ray scattering are currently accelerating and will enable broad application of the presented approach. With this multidimensional potential energy surfaces that characterize collective phenomena such as (bio)molecular function or high-temperature superconductivity will become accessible in near future.},
  language  = {en}
}
@article{SchleussnerRogeljSchaefferetal.2016,
  author    = {Schleussner, Carl-Friedrich and Rogelj, Joeri and Schaeffer, Michiel and Lissner, Tabea and Licker, Rachel and Fischer, Erich M. and Knutti, Reto and Levermann, Anders and Frieler, Katja and Hare, William},
  title     = {Science and policy characteristics of the Paris Agreement temperature goal},
  series = {Nature climate change},
  volume    = {6},
  journal   = {Nature climate change},
  publisher = {Nature Publ. Group},
  address   = {London},
  issn      = {1758-678X},
  doi       = {10.1038/NCLIMATE3096},
  pages     = {827 -- 835},
  year      = {2016},
  language  = {en}
}
@article{SchleussnerDongesEngemannetal.2016,
  author    = {Schleussner, Carl-Friedrich and Donges, Jonathan and Engemann, Denis A. and Levermann, Anders},
  title     = {Clustered marginalization of minorities during social transitions induced by co-evolution of behaviour and network structure},
  series = {Scientific reports},
  volume    = {6},
  journal   = {Scientific reports},
  publisher = {Nature Publ. Group},
  address   = {London},
  issn      = {2045-2322},
  doi       = {10.1038/srep30790},
  pages     = {3407 -- 3417},
  year      = {2016},
  abstract  = {Large-scale transitions in societies are associated with both individual behavioural change and restructuring of the social network. These two factors have often been considered independently, yet recent advances in social network research challenge this view. Here we show that common features of societal marginalization and clustering emerge naturally during transitions in a co-evolutionary adaptive network model. This is achieved by explicitly considering the interplay between individual interaction and a dynamic network structure in behavioural selection. We exemplify this mechanism by simulating how smoking behaviour and the network structure get reconfigured by changing social norms. Our results are consistent with empirical findings: The prevalence of smoking was reduced, remaining smokers were preferentially connected among each other and formed increasingly marginalized clusters. We propose that self-amplifying feedbacks between individual behaviour and dynamic restructuring of the network are main drivers of the transition. This generative mechanism for co-evolution of individual behaviour and social network structure may apply to a wide range of examples beyond smoking.},
  language  = {en}
}
@article{SchimkaSanterMujkicNinnemannetal.2016,
  author    = {Schimka, Selina and Santer, Svetlana and Mujkic-Ninnemann, Nina M. and Bleger, David and Hartmann, Laura and Wehle, Marko and Lipowsky, Reinhard and Santer, Mark},
  title     = {Photosensitive Peptidomimetic for Light-Controlled, Reversible DNA Compaction},
  series = {Biomacromolecules : an interdisciplinary journal focused at the interface of polymer science and the biological sciences},
  volume    = {17},
  journal   = {Biomacromolecules : an interdisciplinary journal focused at the interface of polymer science and the biological sciences},
  publisher = {American Chemical Society},
  address   = {Washington},
  issn      = {1525-7797},
  doi       = {10.1021/acs.biomac.6b00052},
  pages     = {1959 -- 1968},
  year      = {2016},
  abstract  = {Light-induced DNA compaction as part of nonviral gene delivery was investigated intensively in the past years, although the bridging between the artificial light switchable compacting.agents and biodompatible light insensitive compacting agents was not achieved until now. In this paper, we report on light-induced compaction and decompaction of DNA molecules in the presence of a new typeof agent, a multivalent cationic peptidomimetic molecule containing a photosensitive Azo-group as a branch (Azo-PM). Az-o-PM is synthesized using a solid-phase procedure during Which anrazoberizene unit is attached as a side chain to an Oligo(arnidoamine) backbone. We shoW, that within a-certain Tange,of concentrations and under illumination with light of appropriate-wavelengths, these cationic Molecules induce reversible DNA compaction/decompaction by photo-isomerization of the incorporated azobenzene unit between a hydrophobic trans- and 4 hydrophilic cis-conformation, as characterized by dynamic light scattering and AFM measurements. In contrast to other molecular Species used for invasive DNA compaction, such as-widely used azobenzene containing cationic surfactant (Azo-TAR, C-4-Azo-OCX-TMAB), the presented peptidomimetic agent appears to lead to different compleication/compaction mechanisms., An investigation of Ato-PM in close proximity to a DNA segment by means of a molecular dynamics simulation sustains a picture in which Azo-PM acts as a multivalent counterion, with its rather large cationic oligo(amidoamine) backbone dominating the interaction with the double helix, fine-tuned or assisted by the presence" andisomerization state of the Azo-moiety. However, due to its peptidomimetic backbone, Azo-PM should be far less toxic than photosensitive surfactants and might represent a starting point for a conscious design of photoswitchable, biocompatible vectors for gene delivery.},
  language  = {en}
}
@article{SchickLeGuyaderPontiusetal.2016,
  author    = {Schick, Daniel and Le Guyader, Loic and Pontius, Niko and Radu, Ilie and Kachel, Torsten and Mitzner, Rolf and Zeschke, Thomas and Schuessler-Langeheine, Christian and F{\"o}hlisch, Alexander and Holldack, Karsten},
  title     = {Analysis of the halo background in femtosecond slicing experiments},
  series = {Journal of synchrotron radiation},
  volume    = {23},
  journal   = {Journal of synchrotron radiation},
  publisher = {International Union of Crystallography},
  address   = {Chester},
  issn      = {1600-5775},
  doi       = {10.1107/S160057751600401X},
  pages     = {700 -- 711},
  year      = {2016},
  abstract  = {The slicing facility FemtoSpeX at BESSY II offers unique opportunities to study photo-induced dynamics on femtosecond time scales by means of X-ray magnetic circular dichroism, resonant and non-resonant X-ray diffraction, and X-ray absorption spectroscopy experiments in the soft X-ray regime. Besides femtosecond X-ray pulses, slicing sources inherently also produce a so-called `halo' background with a different time structure, polarization and pointing. Here a detailed experimental characterization of the halo radiation is presented, and a method is demonstrated for its correct and unambiguous removal from femtosecond time-resolved data using a special laser triggering scheme as well as analytical models. Examples are given for time-resolved measurements with corresponding halo correction, and errors of the relevant physical quantities caused by either neglecting or by applying a simplified model to describe this background are estimated.},
  language  = {en}
}
@misc{SchickEckertPontiusetal.2016,
  author    = {Schick, Daniel and Eckert, Sebastian and Pontius, Niko and Mitzner, Rolf and F{\"o}hlisch, Alexander and Holldack, Karsten and Sorgenfrei, Nomi},
  title     = {Versatile soft X-ray-optical cross-correlator for ultrafast applications},
  series = {Zweitver{\"o}ffentlichungen der Universit{\"a}t Potsdam : Mathematisch-Naturwissenschaftliche Reihe},
  journal   = {Zweitver{\"o}ffentlichungen der Universit{\"a}t Potsdam : Mathematisch-Naturwissenschaftliche Reihe},
  number    = {1331},
  issn      = {1866-8372},
  doi       = {10.25932/publishup-43696},
  url       = {http://nbn-resolving.de/urn:nbn:de:kobv:517-opus4-436962},
  pages     = {054304-1 -- 054304-8},
  year      = {2016},
  abstract  = {We present an X-ray-optical cross-correlator for the soft (> 150 eV) up to the hard X-ray regime based on a molybdenum-silicon superlattice. The cross-correlation is done by probing intensity and position changes of superlattice Bragg peaks caused by photoexcitation of coherent phonons. This approach is applicable for a wide range of X-ray photon energies as well as for a broad range of excitation wavelengths and requires no external fields or changes of temperature. Moreover, the cross-correlator can be employed on a 10 ps or 100 fs time scale featuring up to 50\% total X-ray reflectivity and transient signal changes of more than 20\%. (C) 2016 Author(s).},
  language  = {en}
}