TY - JOUR A1 - Navirian, Hengameh A. A1 - Herzog, Marc A1 - Goldshteyn, J. A1 - Leitenberger, Wolfram A1 - Vrejoiu, Ionella A1 - Khakhulin, D. A1 - Wulff, M. A1 - Shayduk, Roman A1 - Gaal, P. A1 - Bargheer, Matias T1 - Shortening x-ray pulses for pump-probe experiments at synchrotrons JF - Journal of applied physics N2 - We implemented an experimental scheme for ultrafast x-ray diffraction at storage rings based on a laser-driven Bragg-switch that shortens the x-ray pulses emitted from an undulator. The increased time-resolution is demonstrated by observing changes of intensity, position and width of the diffraction peaks of a La(0.7)Sr(0.3)MnO(3)/SrTiO(3) superlattice sample after optical excitation, i.e., by quantitatively measuring the propagation of an expansion wave through the sample. These experimental transients with timescales of 35 to 60 ps evidence a reduction of the x-ray pulse duration by a factor of two. Y1 - 2011 U6 - https://doi.org/10.1063/1.3601057 SN - 0021-8979 VL - 109 IS - 12 PB - American Institute of Physics CY - Melville ER - TY - JOUR A1 - Kar, Parimal A1 - Lipowsky, Reinhard A1 - Knecht, Volker T1 - Importance of polar solvation for cross-reactivity of antibody and its variants with steroids JF - The journal of physical chemistry : B, Condensed matter, materials, surfaces, interfaces & biophysical chemistry N2 - Understanding the factors determining the binding of ligands to receptors in detail is essential for rational drug design. Here, the free energies of binding of the steroids progesterone (PRG) and 5 beta-androstane-3,17-dione (SAD) to the Diels-Alderase antibody 1E9, as well as the Leu(H47)Trp/Arg(H100)Trp 1E9 double mutant (1E9dm) and the corresponding single mutants, have been estimated and decomposed using the molecular mechanics-Poisson-Boltzmann surface area (MM-PBSA) method. Also the difference in binding free energies between the PRG-1E9dm complex and the complex of PRG with the antiprogesterone antibody DB3 have been evaluated and decomposed. The steroids bind less strongly to 1E9 than to DB3, but the mutations tend to improve the steroid affinity, in quantitative agreement with experimental data. Although the complexes formed by PRG or SAD with 1E9dm and by PRG with DB3 have similar affinity, the binding mechanisms are different. Reduced Waals for SAD-1E9dm versus PRG-1E9dm or for PRG-1E9dm versus PRG-DB3 are energetically compensated by an increased solvation of polar groups, partly contrasting previous conclusions based on structural inspection. Our study illustrates that deducing binding mechanisms from structural models alone can be misleading. Therefore, taking into account solvation effects as in MM-PBSA calculations is essential to elucidate molecular recognition. Y1 - 2011 U6 - https://doi.org/10.1021/jp201538t SN - 1520-6106 VL - 115 IS - 23 SP - 7661 EP - 7669 PB - American Chemical Society CY - Washington ER - TY - JOUR A1 - Postberg, Frank A1 - Schmidt, J. A1 - Hillier, J. A1 - Kempf, Sascha A1 - Srama, Ralf T1 - A salt-water reservoir as the source of a compositionally stratified plume on Enceladus JF - Nature : the international weekly journal of science N2 - The discovery of a plume of water vapour and ice particles emerging from warm fractures ('tiger stripes') in Saturn's small, icy moon Enceladus(1-6) raised the question of whether the plume emerges from a subsurface liquid source(6-8) or from the decomposition of ice(9-12). Previous compositional analyses of particles injected by the plume into Saturn's diffuse E ring have already indicated the presence of liquid water(8), but the mechanisms driving the plume emission are still debated(13). Here we report an analysis of the composition of freshly ejected particles close to the sources. Salt-rich ice particles are found to dominate the total mass flux of ejected solids (more than 99 per cent) but they are depleted in the population escaping into Saturn's E ring. Ice grains containing organic compounds are found to be more abundant in dense parts of the plume. Whereas previous Cassini observations were compatible with a variety of plume formation mechanisms, these data eliminate or severely constrain non-liquid models and strongly imply that a salt-water reservoir with a large evaporating surface(7,8) provides nearly all of the matter in the plume. Y1 - 2011 U6 - https://doi.org/10.1038/nature10175 SN - 0028-0836 VL - 474 IS - 7353 SP - 620 EP - 622 PB - Nature Publ. Group CY - London ER - TY - JOUR A1 - Baumgärtel, Hellmut T1 - A Characteristic decay semigroup for the resonances of trace class perturbations with analyticity conditions of semibounded hamiltonians JF - International journal of theoretical physic N2 - To asymptotic complete scattering systems {M(+) + V, M(+)} on H(+) := L(2)(R(+), K, d lambda), where M(+) is the multiplication operator on H(+) and V is a trace class operator with analyticity conditions, a decay semigroup is associated such that the spectrum of the generator of this semigroup coincides with the set of all resonances (poles of the analytic continuation of the scattering matrix into the lower half plane across the positive half line), i.e. the decay semigroup yields a "time-dependent" characterization of the resonances. As a counterpart a "spectral characterization" is mentioned which is due to the "eigenvalue-like" properties of resonances. KW - Resonances KW - Scattering theory KW - Lax-Phillips theory KW - Decay semigroups Y1 - 2011 U6 - https://doi.org/10.1007/s10773-010-0533-9 SN - 0020-7748 VL - 50 IS - 7 SP - 2002 EP - 2008 PB - Springer CY - New York ER - TY - JOUR A1 - Delahaye, T. A1 - Fiasson, A. A1 - Pohl, Martin A1 - Salati, P. T1 - The GeV-TeV Galactic gamma-ray diffuse emission I. Uncertainties in the predictions of the hadronic component JF - Astronomy and astrophysics : an international weekly journal N2 - Context. The Galactic gamma-ray diffuse emission is currently observed in the GeV-TeV energy range with unprecedented accuracy by the Fermi satellite. Understanding this component is crucial because it provides a background to many different signals, such as extragalactic sources or annihilating dark matter. It is timely to reinvestigate how it is calculated and to assess the various uncertainties that are likely to affect the accuracy of the predictions. Aims. The Galactic gamma-ray diffuse emission is mostly produced above a few GeV by the interactions of cosmic ray primaries impinging on the interstellar material. The theoretical error on that component is derived by exploring various potential sources of uncertainty. Particular attention is paid to cosmic ray propagation. Nuclear cross sections, the proton and helium fluxes at the Earth's position, the Galactic radial profile of supernova remnants, and the hydrogen distribution can also severely affect the signal. Methods. The propagation of cosmic ray species throughout the Galaxy is described in the framework of a semi-analytic two-zone diffusion/convection model. The gamma-ray flux is reliably and quickly determined. This allows conversion of the constraints set by the boron-to-carbon data into a theoretical uncertainty on the diffuse emission. New deconvolutions of the HI and CO sky maps are also used to get the hydrogen distribution within the Galaxy. Results. The thickness of the cosmic ray diffusive halo is found to have a significant effect on the Galactic gamma-ray diffuse emission, while the interplay between diffusion and convection has little influence on the signal. The uncertainties related to nuclear cross sections and to the primary cosmic ray fluxes at the Earth are significant. The radial distribution of supernova remnants along the Galactic plane turns out to be a key ingredient. As expected, the predictions are extremely sensitive to the spatial distribution of hydrogen within the Milky Way. Conclusions. Most of the sources of uncertainty are likely to be reduced in the near future. The stress should be put (i) on better determination of the thickness of the cosmic ray diffusive halo; and (ii) on refined observations of the radial profile of supernova remnants. KW - gamma rays: diffuse background KW - cosmic rays KW - methods: analytical KW - gamma rays: ISM Y1 - 2011 U6 - https://doi.org/10.1051/0004-6361/201116647 SN - 0004-6361 VL - 531 IS - 4 PB - EDP Sciences CY - Les Ulis ER - TY - JOUR A1 - Kappel, Marcel A1 - Abel, Markus A1 - Gerhard, Reimund T1 - Characterization and calibration of piezoelectric polymers in situ measurements of body vibrations JF - Review of scientific instruments : a monthly journal devoted to scientific instruments, apparatus, and techniques N2 - Piezoelectric polymers are known for their flexibility in applications, mainly due to their bending ability, robustness, and variable sensor geometry. It is an optimal material for minimal-invasive investigations in vibrational systems, e.g., for wood, where acoustical impedance matches particularly well. Many applications may be imagined, e. g., monitoring of buildings, vehicles, machinery, alarm systems, such that our investigations may have a large impact on technology. Longitudinal piezoelectricity converts mechanical vibrations normal to the polymer-film plane into an electrical signal, and the respective piezoelectric coefficient needs to be carefully determined in dependence on the relevant material parameters. In order to evaluate efficiency and durability for piezopolymers, we use polyvinylidene fluoride and measure the piezoelectric coefficient with respect to static pressure, amplitude of the dynamically applied force, and long-term stability. A known problem is the slow relaxation of the material towards equilibrium, if the external pressure changes; here, we demonstrate how to counter this problem with careful calibration. Since our focus is on acoustical measurements, we determine accurately the frequency response curve - for acoustics probably the most important characteristic. Eventually, we show that our piezopolymer transducers can be used as a calibrated acoustical sensors for body vibration measurements on a wooden musical instrument, where it is important to perform minimal-invasive measurements. A comparison with the simultaneously recorded airborne sound yields important insight of the mechanism of sound radiation in comparison with the sound propagating in the material. This is especially important for transient signals, where not only the long-living eigenmodes contribute to the sound radiation. Our analyses support that piezopolymer sensors can be employed as a general tool for the determination of the internal dynamics of vibrating systems. KW - acoustic transducers KW - calibration KW - durability KW - electric sensing devices KW - piezoelectricity KW - polymers Y1 - 2011 U6 - https://doi.org/10.1063/1.3607435 SN - 0034-6748 VL - 82 IS - 7 PB - American Institute of Physics CY - Melville ER - TY - JOUR A1 - Lueck, S. A1 - Pikovskij, Arkadij T1 - Dynamics of multi-frequency oscillator ensembles with resonant coupling JF - Modern physics letters : A, Particles and fields, gravitation, cosmology, nuclear physics N2 - We study dynamics of populations of resonantly coupled oscillators having different frequencies. Starting from the coupled van der Pol equations we derive the Kuramoto-type phase model for the situation, where the natural frequencies of two interacting subpopulations are in relation 2 : 1. Depending on the parameter of coupling, ensembles can demonstrate fully synchronous clusters, partial synchrony (only one subpopulation synchronizes), or asynchrony in both subpopulations. Theoretical description of the dynamics based on the Watanabe-Strogatz approach is developed. KW - Oscillator populations KW - Kuramoto model KW - Resonant interaction Y1 - 2011 U6 - https://doi.org/10.1016/j.physleta.2011.06.016 SN - 0375-9601 VL - 375 IS - 28-29 SP - 2714 EP - 2719 PB - Elsevier CY - Amsterdam ER - TY - JOUR A1 - Levnajic, Zoran A1 - Pikovskij, Arkadij T1 - Network reconstruction from random phase resetting JF - Physical review letters N2 - We propose a novel method of reconstructing the topology and interaction functions for a general oscillator network. An ensemble of initial phases and the corresponding instantaneous frequencies is constructed by repeating random phase resets of the system dynamics. The desired details of network structure are then revealed by appropriately averaging over the ensemble. The method is applicable for a wide class of networks with arbitrary emergent dynamics, including full synchrony. Y1 - 2011 U6 - https://doi.org/10.1103/PhysRevLett.107.034101 SN - 0031-9007 VL - 107 IS - 3 PB - American Physical Society CY - College Park ER - TY - JOUR A1 - Rivnay, Jonathan A1 - Steyrleuthner, Robert A1 - Jimison, Leslie H. A1 - Casadei, Alberto A1 - Chen, Zhihua A1 - Toney, Michael F. A1 - Facchetti, Antonio A1 - Neher, Dieter A1 - Salleo, Alberto T1 - Drastic control of texture in a high performance n-Type polymeric semiconductor and implications for charge transport JF - Macromolecules : a publication of the American Chemical Society N2 - Control of crystallographic texture from mostly face-on to edge-on is observed for the film morphology of the n-type semicrystalline polymer [N,N-9-bis(2-octyldodecyl)naphthalene-1,4,5,8-bis(dicarboximide)-2,6-diy1]alt-5,59-(2,29-bithiophene)}, P(NDI2OD-T2), when annealing the film to the polymer melting point followed by slow cooling to ambient temperature. A variety of X-ray diffraction analyses, including pole figure construction and Fourier transform peak shape deconvolution, are employed to quantify the texture change, relative degree of crystallinity and lattice order. We find that annealing the polymer film to the melt leads to a shift from 77.5% face-on to 94.6% edge-on lamellar texture as well as to a 2-fold increase in crystallinity and a 40% decrease in intracrystallite cumulative disorder. The texture change results in a significant drop in the electron-only diode current density through the film thickness upon melt annealing while little change is observed in the in-plane transport of bottom gated thin film transistors. This suggests that the texture change is prevalent in the film interior and that either the (bottom) surface structure is different from the interior structure or the intracrystalline order and texture play a secondary role in transistor transport for this material. Y1 - 2011 U6 - https://doi.org/10.1021/ma200864s SN - 0024-9297 VL - 44 IS - 13 SP - 5246 EP - 5255 PB - American Chemical Society CY - Washington ER - TY - JOUR A1 - Gerhardt, Matthias A1 - Groeger, Gillian A1 - MacCarthy, Niall T1 - Monopolar vs. bipolar subretinal stimulation-An in vitro study JF - Journal of neuroscience methods N2 - This study uses an in vitro rd10 mouse model to quantify and compare the ability of the monopolar and the (concentric) bipolar electrode configurations for subretinal stimulation. To allow for results which can be directly compared an identical region of the retina was stimulated due to the circumstance that the bipolar electrode configuration allows also for monopolar stimulation, if the concentric counter-electrode is set potential-free (floating). A ganglion cell, located centrally over the bipolar electrode configuration was selected to extracellularly record action potentials during stimulation. To analyse the recorded action potentials, we introduce a new method which combines the advantages of (a) singular value decomposition (SVD) for weighting similar modulation patterns with which the recorded action potentials are characterized and (b) multi curve fitting to identify a common threshold level, required to finally assemble a strength-duration relationship (SDR). By directly comparing the obtained SDR curves, we found that the efficiency of stimulation with the monopolar electrode configuration is significantly higher than with the bipolar electrode configuration. All obtained SDR curves were fitted using the Lapicque model to estimate the chronaxie times and the rheobase currents. Liquid inclusions, eventually separating the retina from the electrodes are discussed to be a major cause for low ganglion cell responses during stimulation with the bipolar electrode configuration. KW - SVD KW - Subretinal KW - Electrodes KW - Monopolar KW - Bipolar KW - Retina KW - Ganglion KW - Cells Y1 - 2011 U6 - https://doi.org/10.1016/j.jneumeth.2011.04.017 SN - 0165-0270 VL - 199 IS - 1 SP - 26 EP - 34 PB - Elsevier CY - Amsterdam ER -