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Auf seiner russisch-sibirischen Reise im Jahre 1829 berührte Alexander von Humboldt zweimal Ust’-Kamenogorsk (heute kasachisch Öskemen), die kleine Stadt am Irtyš, an der Südgrenze des Russischen Reiches. Christian Suckow beschreibt Humboldts kurzen, zweitägigen Aufenthalt an dem Ort, der Ausgangs- und Endpunkt der Exkursion zur Silbergrube Zyrjanovsk im südwestlichen Altai und nach Baty an die chinesische Grenze war.
Auf welche Weise sich unsere Einschätzung des wissenschaftlichen Wirkens Alexander von Humboldts auf Grundlage der beständig voranschreitenden Erschließung seiner Handschriften verändern konnte und welche aktuellen wissenschaftshistorischen Fragestellungen dadurch aufgeworfen wurden, verdeutlicht Oliver Schwarz an Beispielen aus der Astronomie.
Die Migration von etwa einer halben Million Menschen aus westlichen Ländern in die DDR ist wenig erforscht. Dies gilt auch für das Gebiet der Literatur. Was so unterschiedliche Autoren wie Anna Seghers, Arnolt Bronnen, Heinar Kipphardt, Adolf Endler, Wolf Biermann, Gisela Kraft oder Ronald M. Schernikau verbindet, ist, sich einmal für ein Leben in der DDR entschieden zu haben. Einige von ihnen fanden in der sozialistischen Wahlheimat ihre Themen und ihr Publikum: häufig in zunehmender Distanz zur Kulturpolitik, mitunter auch in großer Nähe. Andere kehrten dem Land nach wenigen Jahren enttäuscht oder verbittert wieder den Rücken oder wurden hinausgedrängt. Die Beiträge beschäftigen sich mit den Motiven, Umständen, biographischen Konsequenzen, Selbstdeutungen und literarischen Resultaten der Übersiedlung in die SBZ bzw. in die DDR zwischen 1945 und 1989.
In the limit 0 we analyse the generators H of families of reversible jump processes in Rd associated with a class of symmetric non-local Dirichlet-forms and show exponential decay of the eigenfunctions. The exponential rate function is a Finsler distance, given as solution of a certain eikonal equation. Fine results are sensitive to the rate function being C2 or just Lipschitz. Our estimates are analogous to the semiclassical Agmon estimates for differential operators of second order. They generalize and strengthen previous results on the lattice Zd. Although our final interest is in the (sub)stochastic jump process, technically this is a pure analysis paper, inspired by PDE techniques.
We discuss a renewal process in which successive events are separated by scale-free waiting time periods. Among other ubiquitous long-time properties, this process exhibits aging: events counted initially in a time interval [0, t] statistically strongly differ from those observed at later times [t(a,) t(a) + t]. The versatility of renewal theory is owed to its abstract formulation. Renewals can be interpreted as steps of a random walk, switching events in two-state models, domain crossings of a random motion, etc. In complex, disordered media, processes with scale-free waiting times play a particularly prominent role. We set up a unified analytical foundation for such anomalous dynamics by discussing in detail the distribution of the aging renewal process. We analyze its half-discrete, half-continuous nature and study its aging time evolution. These results are readily used to discuss a scale-free anomalous diffusion process, the continuous-time random walk. By this, we not only shed light on the profound origins of its characteristic features, such as weak ergodicity breaking, along the way, we also add an extended discussion on aging effects. In particular, we find that the aging behavior of time and ensemble averages is conceptually very distinct, but their time scaling is identical at high ages. Finally, we show how more complex motion models are readily constructed on the basis of aging renewal dynamics.
Ageing single file motion
(2014)
We study the effects of ageing-the time delay between initiation of the physical process at t = 0 and start of observation at some time t(a) > 0-and spatial confinement on the properties of heterogeneous diffusion processes (HDPs) with deterministic power-law space-dependent diffusivities, D(x) = D-0 vertical bar x vertical bar(alpha). From analysis of the ensemble and time averaged mean squared displacements and the ergodicity breaking parameter quantifying the inherent degree of irreproducibility of individual realizations of the HDP we obtain striking similarities to ageing subdiffusive continuous time random walks with scale-free waiting time distributions. We also explore how both processes can be distinguished. For confined HDPs we study the long-time saturation of the ensemble and time averaged particle displacements as well as the magnitude of the inherent scatter of time averaged displacements and contrast the outcomes to the results known for other anomalous diffusion processes under confinement.
Age-related changes in prefrontal activity during walking in dual-task situations: A fNIRS study
(2014)
Background: Previous studies suggest that the human gait is under control of higher-order cognitive processes, located in the frontal lobes, such that an age-related degradation of cognitive capabilities has a negative impact on gait.
Results: Our behavioral data partly confirm previous accounts on higher dual-task costs in stepping parameters (i.e., decreased step duration) in old age, particularly with a visual task and negative dual-task cost (i.e., improved performance) during the verbal task in young adults. Functional imaging data revealed little change of prefrontal activation from single- to dual-task walking in young individuals. In the elderly, however, prefrontal activation substantially decreased during dual-task walking with a complex visual task.
Conclusion: We interpret these findings as evidence for a shift of processing resources from the prefrontal cortex to other brain regions when seniors face the challenge of walking and concurrently executing a visually demanding task. (C) 2014 Elsevier B.V. All rights reserved.
In the aftermath of the severe flooding in Central Europe in August 2002, a number of changes in flood policies were launched in Germany and other European countries, aiming at improved risk management. The question arises as to whether these changes have already had an impact on the residents' ability to cope with floods, and whether flood-affected private households are now better prepared than they were in 2002. Therefore, computer-aided telephone interviews with private households in Germany that suffered from property damage due to flooding in 2005, 2006, 2010 or 2011 were performed and analysed with respect to flood awareness, precaution, preparedness and recovery. The data were compared to a similar investigation conducted after the flood in 2002.
After the flood in 2002, the level of private precautions taken increased considerably. One contributing factor is the fact that, in general, a larger proportion of people knew that they were at risk of flooding. The best level of precaution was found before the flood events in 2006 and 2011. The main reason for this might be that residents had more experience with flooding than residents affected in 2005 or 2010. Yet, overall, flood experience and knowledge did not necessarily result in building retrofitting or flood-proofing measures, which are considered as mitigating damages most effectively. Hence, investments still need to be stimulated in order to reduce future damage more efficiently.
Early warning and emergency responses were substantially influenced by flood characteristics. In contrast to flood-affected people in 2006 or 2011, people affected by flooding in 2005 or 2010 had to deal with shorter lead times and therefore had less time to take emergency measures. Yet, the lower level of emergency measures taken also resulted from the people's lack of flood experience and insufficient knowledge of how to protect themselves. Overall, it was noticeable that these residents suffered from higher losses. Therefore, it is important to further improve early warning systems and communication channels, particularly in hilly areas with rapid-onset flooding.
Afghanistan und Zentralasien
(2014)
In den gegenwärtigen Prozessen in Afghanistan gewinnen die Beziehungen zwischen Afghanistan und seinen Nachbarn in Zentralasien an Bedeutung. Ihre weitere Entwicklung wird einerseits von der Transformation in Afghanistan und andererseits von der Politik der zentralasiatischen Staaten abhängen. Während sich das Drogenproblem erschwerend auswirkt, gibt es einige ermutigende Ansätze im Bereich der wirtschaftlichen Kooperation.
Afghanistan und die Region
(2014)
Der Afghanistankonflikt hat seit 2001 deutliche Auswirkungen auf das regionale Umfeld – in Pakistan, Kaschmir, Xinjiang und den zentralasiatischen Republiken. Dies wird sich nach dem Abzug der ISAF-Truppen noch verstärken. Dabei geht es sowohl um die grenzüberschreitenden Folgen der beiden Militärinterventionen als auch um die Wirkungen der innerafghanischen Konflikte auf die gesamte Region. Diese Problematik besitzt ein erhebliches Konfliktpotenzial, das größere Aufmerksamkeit verdient.
NutzerInnen von gewalthaltigen Medien geben einerseits oftmals zu, dass sie fiktionale, gewalthaltige Medien konsumieren, behaupten jedoch gleichzeitig, dass dies nicht ihr Verhalten außerhalb des Medienkontexts beeinflusst. Sie argumentieren, dass sie leicht zwischen Dingen, die im fiktionalen Kontext und Dingen, die in der Realität gelernt wurden, unterscheiden können. Im Kontrast zu diesen Aussagen zeigen Metanalysen Effektstärken im mittleren Bereich für den Zusammenhang zwischen Gewaltmedienkonsum und aggressivem Verhalten. Diese Ergebnisse können nur erklärt werden, wenn MediennutzerInnen gewalthaltige Lernerfahrungen auch außerhalb des Medienkontexts anwenden. Ein Prozess, der Lernerfahrungen innerhalb des Medienkontexts mit dem Verhalten in der realen Welt verknüpft, ist Desensibilisierung, die oftmals eine Reduktion des negativen Affektes gegenüber Gewalt definiert ist. Zur Untersuchung des Desensibilisierungsprozesses wurden vier Experimente durchgeführt. Die erste in dieser Arbeit untersuchte Hypothese war, dass je häufiger Personen Gewaltmedien konsumieren, desto weniger negativen Affekt zeigen sie gegenüber Bildern mit realer Gewalt. Jedoch wurde angenommen, dass diese Bewertung auf Darstellungen von realer Gewalt beschränkt ist und nicht bei Bildern ohne Gewaltbezug, die einen negativen Affekt auslösen, zu finden ist. Die zweite Hypothese bezog sich auf den Affekt während des Konsums von Mediengewalt. Hier wurde angenommen, dass besonders Personen, die Freude an Gewalt in den Medien empfinden weniger negativen Affekt gegenüber realen Gewaltdarstellungen zeigen. Die letzte Hypothese beschäftigte sich mit kognitiver Desensibilisierung und sagte vorher, dass Gewaltmedienkonsum zu einem Transfer von Reaktionen, die normalerweise gegenüber gewalthaltigen Reizen gezeigt werden, auf ursprünglich neutrale Reize führt. Das erste Experiment (N = 57) untersuchte, ob die habituelle Nutzung von gewalthaltigen Medien den selbstberichteten Affekt (Valenz und Aktivierung) gegenüber Darstellungen von realer Gewalt und nichtgewalthaltigen Darstellungen, die negativen Affekt auslösen, vorhersagt. Die habituelle Nutzung von gewalthaltigen Medien sagte weniger negative Valenz und weniger allgemeine Aktivierung gegenüber gewalthalten und nichtgewalthaltigen Bildern vorher. Das zweite Experiment (N = 103) untersuchte auch die Beziehung zwischen habituellem Gewaltmedienkonsum und den affektiven Reaktionen gegenüber Bildern realer Gewalt und negativen affektauslösenden Bildern. Als weiterer Prädiktor wurde der Affekt beim Betrachten von gewalthaltigen Medien hinzugefügt. Der Affekt gegenüber den Bildern wurde zusätzlich durch psychophysiologische Maße (Valenz: C: Supercilii; Aktivierung: Hautleitreaktion) erhoben. Wie zuvor sagte habitueller Gewaltmedienkonsum weniger selbstberichte Erregung und weniger negative Valenz für die gewalthaltigen und die negativen, gewalthaltfreien Bilder vorher. Die physiologischen Maßen replizierten dieses Ergebnis. Jedoch zeigte sich ein anderes Muster für den Affekt beim Konsum von Gewalt in den Medien. Personen, die Gewalt in den Medien stärker erfreut, zeigen eine Reduktion der Responsivität gegenüber Gewalt auf allen vier Maßen. Weiterhin war bei drei dieser vier Maße (selbstberichte Valenz, Aktivität des C. Supercilii und Hautleitreaktion) dieser Zusammenhang auf die gewalthaltigen Bilder beschränkt, mit keinem oder nur einem kleinen Effekt auf die negativen, aber nichtgewalthaltigen Bilder. Das dritte Experiment (N = 73) untersuchte den Affekt während die Teilnehmer ein Computerspiel spielten. Das Spiel wurde eigens für dieses Experiment programmiert, sodass einzelne Handlungen im Spiel mit der Aktivität des C. Supercilii, dem Indikator für negativen Affekt, in Bezug gesetzt werden konnten. Die Analyse des C. Supercilii zeigte, dass wiederholtes Durchführen von aggressiven Spielzügen zu einem Rückgang von negativen Affekt führte, der die aggressiven Spielhandlungen begleitete. Der negative Affekt während gewalthaltiger Spielzüge wiederum sagte die affektive Reaktion gegenüber Darstellungen von gewalthaltigen Bildern vorher, nicht jedoch gegenüber den negativen Bildern. Das vierte Experiment (N = 77) untersuchte kognitive Desensibilisierung, die die Entwicklung von Verknüpfungen zwischen neutralen und aggressiven Kognitionen beinhaltete. Die Teilnehmer spielten einen Ego-Shooter entweder auf einem Schiff- oder einem Stadtlevel. Die Beziehung zwischen den neutralen Konstrukten (Schiff/Stadt) und den aggressiven Kognitionen wurde mit einer lexikalischen Entscheidungsaufgabe gemessen. Das Spielen im Schiff-/Stadt-Level führte zu einer kürzen Reaktionszeit für aggressive Wörter, wenn sie einem Schiff- bzw. Stadtprime folgten. Dies zeigte, dass die im Spiel enthaltenen neutralen Konzepte mit aggressiven Knoten verknüpft werden. Die Ergebnisse dieser vier Experimente wurden diskutiert im Rahmen eines lerntheoretischen Ansatzes um Desensibilisierung zu konzeptualisieren.
The atmosphere over the Arctic Ocean is strongly influenced by the distribution of sea ice and open water. Leads in the sea ice produce strong convective fluxes of sensible and latent heat and release aerosol particles into the atmosphere. They increase the occurrence of clouds and modify the structure and characteristics of the atmospheric boundary layer (ABL) and thereby influence the Arctic climate.
In the course of this study aircraft measurements were performed over the western Arctic Ocean as part of the campaign PAMARCMIP 2012 of the Alfred Wegener Institute for Polar and Marine Research (AWI). Backscatter from aerosols and clouds within the lower troposphere and the ABL were measured with the nadir pointing Airborne Mobile Aerosol Lidar (AMALi) and dropsondes were launched to obtain profiles of meteorological variables. Furthermore, in situ measurements of aerosol properties, meteorological variables and turbulence were part of the campaign. The measurements covered a broad range of atmospheric and sea ice conditions.
In this thesis, properties of the ABL over Arctic sea ice with a focus on the influence of open leads are studied based on the data from the PAMARCMIP campaign. The height of the ABL is determined by different methods that are applied to dropsonde and AMALi backscatter profiles. ABL heights are compared for different flights representing different conditions of the atmosphere and of sea ice and open water influence. The different criteria for ABL height that are applied show large variation in terms of agreement among each other, depending on the characteristics of the ABL and its history. It is shown that ABL height determination from lidar backscatter by methods commonly used under mid-latitude conditions is applicable to the Arctic ABL only under certain conditions. Aerosol or clouds within the ABL are needed as a tracer for ABL height detection from backscatter. Hence an aerosol source close to the surface is necessary, that is typically found under the present influence of open water and therefore convective conditions. However it is not always possible to distinguish residual layers from the actual ABL. Stable boundary layers are generally difficult to detect.
To illustrate the complexity of the Arctic ABL and processes therein, four case studies are analyzed each of which represents a snapshot of the interplay between atmosphere and underlying sea ice or water surface. Influences of leads and open water on the aerosol and clouds within the ABL are identified and discussed. Leads are observed to cause the formation of fog and cloud layers within the ABL by humidity emission. Furthermore they decrease the stability and increase the height of the ABL and consequently facilitate entrainment of air and aerosol layers from the free troposphere.
When azobenzene-modified photosensitive polymer films are irradiated with light interference patterns, topographic variations in the film develop that follow the electric field vector distribution resulting in the formation of surface relief grating (SRG). The exact correspondence of the electric field vector orientation in interference pattern in relation to the presence of local topographic minima or maxima of SRG is in general difficult to determine. In my thesis, we have established a systematic procedure to accomplish the correlation between different interference patterns and the topography of SRG. For this, we devise a new setup combining an atomic force microscope and a two-beam interferometer (IIAFM). With this set-up, it is possible to track the topography change in-situ, while at the same time changing polarization and phase of the impinging interference pattern. To validate our results, we have compared two photosensitive materials named in short as PAZO and trimer. This is the first time that an absolute correspondence between the local distribution of electric field vectors of interference pattern and the local topography of the relief grating could be established exhaustively. In addition, using our IIAFM we found that for a certain polarization combination of two orthogonally polarized interfering beams namely SP (↕, ↔) interference pattern, the topography forms SRG with only half the period of the interference patterns. Exploiting this phenomenon we are able to fabricate surface relief structures below diffraction limit with characteristic features measuring only 140 nm, by using far field optics with a wavelength of 491 nm. We have also probed for the stresses induced during the polymer mass transport by placing an ultra-thin gold film on top (5–30 nm). During irradiation, the metal film not only deforms along with the SRG formation, but ruptures in regular and complex manner. The morphology of the cracks differs strongly depending on the electric field distribution in the interference pattern even when the magnitude and the kinetic of the strain are kept constant. This implies a complex local distribution of the opto-mechanical stress along the topography grating. The neutron reflectivity measurements of the metal/polymer interface indicate the penetration of metal layer within the polymer resulting in the formation of bonding layer that confirms the transduction of light induced stresses in the polymer layer to a metal film.
Advance in geocomputation
(2014)
A cluster approach extended to the ONIOM methodology has been applied using several density functionals and Moller-Plesset perturbation theory (MP2) to simulate the adsorption of selected nitrogen-containing compounds [NCCs, 2,4,6-trinitrotoluene (TNT), 2,4-dinitrotoluene (DNT), 2,4-dinitroanisole (DNAN), and 3-nitro-1,2,4-triazole-5-one (NTO)] on the hydroxyated (100) surface of a-quartz. The structural properties were calculated using the M06-2X functional and 6-31G(d,p) basis set. The M06-2X-D3, PBE-D3, and MP2 methods were used to calculate the adsorption energies. Results have been compared with the data from other studies of adsorption of compounds of similar nature on silica. Effect of deformation of the silica surface and adsorbates on the binding energy values was also studied. The atoms in molecules (AIM) analysis was employed to characterize the adsorbate-adsorbent binding and to calculate the bond energies. The silica surface shows different sorption affinity toward the chemicals considered depending on their electronic structure. All target NCCs are physisorbed on the modeled silica surface. Adsorption occurs due to the formation of multiple hydrogen bonds between the functional groups of NCCs and surface silanol groups. Parallel orientation of NCCs interacting with the silica surface was found to be favorable when compared with perpendicularly oriented NCCs. NTO was found to be the most strongly adsorbed on the silica surface among all of the considered compounds. Dispersion correction was shown to play an important role in the DFT calculations of the adsorption energies of silica-NCC systems.
Graphitic carbon nitride, g-C3N4, is a promising organic photo-catalyst for a variety of redox reactions. In order to improve its efficiency in a systematic manner, however, a fundamental understanding of the microscopic interaction between catalyst, reactants and products is crucial. Here we present a systematic study of water adsorption on g-C3N4 by means of density functional theory and the density functional based tight-binding method as a prerequisite for understanding photocatalytic water splitting. We then analyze this prototypical redox reaction on the basis of a thermodynamic model providing an estimate of the overpotential for both water oxidation and H+ reduction. While the latter is found to occur readily upon irradiation with visible light, we derive a prohibitive overpotential of 1.56 eV for the water oxidation half reaction, comparing well with the experimental finding that in contrast to H-2 production O-2 evolution is only possible in the presence of oxidation cocatalysts.
Graphitic carbon nitride, g-C₃N₄, is a promising organic photo-catalyst for a variety of redox reactions. In order to improve its efficiency in a systematic manner, however, a fundamental understanding of the microscopic interaction between catalyst, reactants and products is crucial. Here we present a systematic study of water adsorption on g-C₃N₄ by means of density functional theory and the density functional based tight-binding method as a prerequisite for understanding photocatalytic water splitting. We then analyze this prototypical redox reaction on the basis of a thermodynamic model providing an estimate of the overpotential for both water oxidation and H⁺ reduction. While the latter is found to occur readily upon irradiation with visible light, we derive a prohibitive overpotential of 1.56 eV for the water oxidation half reaction, comparing well with the experimental finding that in contrast to H₂ production O₂ evolution is only possible in the presence of oxidation cocatalysts.
Graphitic carbon nitride, g-C₃N₄, is a promising organic photo-catalyst for a variety of redox reactions. In order to improve its efficiency in a systematic manner, however, a fundamental understanding of the microscopic interaction between catalyst, reactants and products is crucial. Here we present a systematic study of water adsorption on g-C₃N₄ by means of density functional theory and the density functional based tight-binding method as a prerequisite for understanding photocatalytic water splitting. We then analyze this prototypical redox reaction on the basis of a thermodynamic model providing an estimate of the overpotential for both water oxidation and H⁺ reduction. While the latter is found to occur readily upon irradiation with visible light, we derive a prohibitive overpotential of 1.56 eV for the water oxidation half reaction, comparing well with the experimental finding that in contrast to H₂ production O₂ evolution is only possible in the presence of oxidation cocatalysts.
1,4-Di(homo)allyl-2,5-diketopiperazines are synthesized and polymerized via ADMET using the Hoveyda-Grubbs 2nd generation catalyst. The but-3-enylated diketopiperazine can be converted into unsaturated tertiary polyamide with molar mass of <3000 g mol(-1), whereas the allylated diketopiperazine cannot. Double-bond isomerization occurs regardless of whether or not benzoquinone is present. A polyesteramide with a higher molar mass of ca. 4800 g mol(-1) is obtained by the alternating copolymerization (ALTMET) of 1,4-di(but-3-enyl)-2,5-di ketopiperazine and ethylene glycol diacrylate. A post-polymerization modification of the poly(ester)amides via radical thiol-ene chemistry, however, fails.
Adieu Rabenmutter-culture, fertility, female labour supply, the gender wage gap and childcare
(2014)
This paper studies the effect of cultural attitudes on childcare provision, fertility, female labour supply and the gender wage gap. Cross-country data show that fertility, female labour force participation and childcare provision are positively correlated with each other, while the gender wage gap seems to be negatively correlated with these variables. The paper presents a model with endogenous fertility, female labour supply and childcare choices driven by cultural attitudes which fits these facts. There may exist multiple equilibria: one with zero childcare provision, low fertility and female labour supply and high wage gap and one with high childcare provision, high fertility and female labour supply and low wage gap.
The real-time recognition and precise correction of baseline shifts in strong-motion records is a critical issue for GPS and accelerometer combined processing. This paper proposes a method to adaptively recognize and correct baseline shifts in strong-motion records by utilizing GPS measurements using two phases Kalman filter. By defining four kinds of learning statistics and criteria, the time series of estimated baseline shifts can be divided into four time intervals: initialization, static, transient and permanent. During the time interval in which the transient baseline shift is recognized, the dynamic noise of the Kalman filter system and the length of the baseline shifts estimation window are adaptively adjusted to yield a robust integration solution. The validations from an experimental and real datasets show that acceleration baseline shifts can be precisely recognized and corrected, thus, the combined system adaptively adjusted the estimation strategy to get a more robust solution. (C) 2014 COSPAR. Published by Elsevier Ltd. All rights reserved.
Passive and active polarization elements were created by surface and bulk photo-alignment of LCs, reactive LCs, photo-sensitive LCP and photo-curable monomer/LC composites. The use of different photo-sensitive liquid crystalline materials for the development of highly anisotropic elements with high spatial resolution and stability or, alternatively, fast switch ability will be discussed. Photo-active and voltage tunable polarization and diffraction elements are presented. For active micro-optic application a photo-addressed patterned retarder was created. Electrically switchable diffraction gratings were generated by interference exposure of photo-curable LC composites at room temperature characterized by droplet free morphology. These polarization sensitive diffraction elements are characterized be excellent optical properties and low switching times.
The membrane and actin cortex of a motile cell can autonomously differentiate into two states, one typical of the front, the other of the tail. On the substrate-attached surface of Dictyostelium discoideum cells, dynamic patterns of front-like and tail-like states are generated that are well suited to monitor transitions between these states. To image large-scale pattern dynamics independently of boundary effects, we produced giant cells by electric-pulse-induced cell fusion. In these cells, actin waves are coupled to the front and back of phosphatidylinositol (3,4,5)-trisphosphate (PIP3)-rich bands that have a finite width. These composite waves propagate across the plasma membrane of the giant cells with undiminished velocity. After any disturbance, the bands of PIP3 return to their intrinsic width. Upon collision, the waves locally annihilate each other and change direction; at the cell border they are either extinguished or reflected. Accordingly, expanding areas of progressing PIP3 synthesis become unstable beyond a critical radius, their center switching from a front-like to a tail-like state. Our data suggest that PIP3 patterns in normal-sized cells are segments of the self-organizing patterns that evolve in giant cells.
We investigate the torsion potentials in two prototypical pi-conjugated polymers, polyacetylene and polydiacetylene, as a function of chain length using different flavors of density functional theory. Our study provides a quantitative analysis of the delocalization error in standard semilocal and hybrid density functionals and demonstrates how it can influence structural and thermodynamic properties. The delocalization error is quantified by evaluating the many-electron self-interaction error (MESIE) for fractional electron numbers, which allows us to establish a direct connection between the MESIE and the error in the torsion barriers. The use of non-empirically tuned long-range corrected hybrid functionals results in a very significant reduction of the MESIE and leads to an improved description of torsion barrier heights. In addition, we demonstrate how our analysis allows the determination of the effective conjugation length in polyacetylene and polydiacetylene chains.
NMR chemical shift predictions based on empirical methods are nowadays indispensable tools during resonance assignment and 3D structure calculation of proteins. However, owing to the very limited statistical data basis, such methods are still in their infancy in the field of nucleic acids, especially when non-canonical structures and nucleic acid complexes are considered. Here, we present an ab initio approach for predicting proton chemical shifts of arbitrary nucleic acid structures based on state-of-the-art fragment-based quantum chemical calculations. We tested our prediction method on a diverse set of nucleic acid structures including double-stranded DNA, hairpins, DNA/protein complexes and chemically-modified DNA. Overall, our quantum chemical calculations yield highly/very accurate predictions with mean absolute deviations of 0.3-0.6 ppm and correlation coefficients (r(2)) usually above 0.9. This will allow for identifying misassignments and validating 3D structures. Furthermore, our calculations reveal that chemical shifts of protons involved in hydrogen bonding are predicted significantly less accurately. This is in part caused by insufficient inclusion of solvation effects. However, it also points toward shortcomings of current force fields used for structure determination of nucleic acids. Our quantum chemical calculations could therefore provide input for force field optimization.
Daphnia responds to low availability of carbon (food quantity) or limiting concentrations of nutrients relative to carbon (C) in excess (food quality) by respectively saving or discharging C via different pathways. We investigated which kind of food limitation leads to a faster regulation in Daphnia C budgets, and whether the pre-assimilative C pathways, ingestion and faeces egestion and the post-assimilative C pathways, excretion and respiration, are regulated concurrently. Daphnia magna were exposed to dietary shifts in different food quantities or qualities; food quality was varied in terms of the essential component, cholesterol. After acclimation to the new diet ranging from 0 to 96 h, C budgets were measured by a radiotracer technique. Dietary shifts in quantity and quality caused Daphnia to quickly adjust their C budgets within 6 h, but different C pathways were affected. A shift to low food quantity reduced Daphnia respiration indicating C retention. In contrast, sudden low quality food caused increased faeces egestion to discharge excess C. Furthermore, we observed a delayed increase in excretion but no change in respiration within the time frame studied. Such time-shifted responses appear to be an appropriate means to keep the costs of physiological adjustments relatively low, which in turn would benefit Daphnia performance.
Using German data, we examined the effects of one specific type of acceleration-grade skipping-on academic performance. Prior research on the effects of acceleration has suffered from methodological restrictions, especially due to a lack of appropriate comparison groups and a priori measurements. For this reason, propensity score matching was applied in this analysis to minimize selection bias due to observed confounding variables. Various types of matching were attempted, and, in consideration of balancing the covariates, full matching was the final choice. We used data from the Berlin ELEMENT Study, analyzing, after matching, the information of 81 students who had skipped a grade over the course of elementary school and up to 1,668 nonaccelerated students who attended the same grade level as the accelerated students. Measurements took place 3 times between the 4th and 6th grades, including the assessment of reading, spelling, and mathematics performance. After matching, the results of between-group comparisons regarding performance indices showed no significant effects of skipping a grade, other than a small positive effect found on spelling performance. Theoretical implications and methodological limitations are discussed.
Abgrund Afghanistan
(2014)
Afghanistan ist seit über 30 Jahren ein von Kriegen geschütteltes Land. Ende 2014 soll der Einsatz der ISAF-Truppen dort beendet werden, doch erscheint dieses „Manöver“ eher wie ein Abbruch denn wie ein geordneter Abzug nach erfolgreicher Mission. Die Sicherheitslage vor Ort ist weiterhin instabil. Das bedeutet auch Instabilität für die Region. Deutsche und internationale Experten ziehen die ernüchternde Bilanz eines militärischen Abenteuers, die bei zukünftigen Auslandseinsätzen - auch der Bundeswehr - bedacht werden sollte.
Das Land des Lächelns zeigt unter Ministerpräsident Abe zunehmend fratzenhaftere Züge. Japans im negativen Sinne „reizvolle“ Politik irritiert nicht nur seine nächsten Nachbarn China und Korea. Auch die USA sind beunruhigt über das provokante Verhalten ihres Partners im Bündnisfalle. Territorialstreitigkeiten drohen zu eskalieren, die Auseinandersetzung mit der wenig ruhmreichen Vergangenheit wird verweigert. Läuft Japan Gefahr, sämtliche Sympathien zu verspielen?
Phytochemical investigation of the dichloromethane/methanol (1:1) extract of the roots of Bulbine frutescens led to the isolation of a new xanthone, 8-hydroxy-6-methylxanthone-1-carboxylic acid (1) and a new phenylanthraquinone, 6',8-O-dimethylknipholone (2) along with six known compounds. The structures were elucidated on the basis of NMR and MS spectral data analyses. The structure of compound 1 was confirmed through X-ray crystallography which was then used as a reference to propose the revision of the structures of six seco-anthraquinones into xanthones. The isolated compounds were evaluated for cytotoxicity against human cervix carcinoma KB-3-1 cells with the phenylanthraquinone knipholone being the most active (IC50 = 0.43 mu M). Two semi-synthetic knipholone derivatives, knipholone Mannich base and knipholone-1,3-oxazine, were prepared and tested for cytotoxic activity; both showed moderate activities (IC50 value of 1.89 and 2.50 mu M, respectively). (C) 2014 Phytochemical Society of Europe. Published by Elsevier B.V. All rights reserved.
This paper describes the implementation of a workflow model for service-oriented computing of potential areas for wind turbines in jABC. By implementing a re-executable model the manual effort of a multi-criteria site analysis can be reduced. The aim is to determine the shift of typical geoprocessing tools of geographic information systems (GIS) from the desktop to the web. The analysis is based on a vector data set and mainly uses web services of the “Center for Spatial Information Science and Systems” (CSISS). This paper discusses effort, benefits and problems associated with the use of the web services.
A vector error correction model for the relationship between public debt and inflation in Germany
(2014)
In the paper, the interaction between public debt and inflation including mutual impulse response will be analysed. The European sovereign debt crisis brought once again the focus on the consequences of public debt in combination with an expansive monetary policy for the development of consumer prices. Public deficits can lead to inflation if the money supply is expansive. The high level of national debt, not only in the Euro-crisis countries, and the strong increase in total assets of the European Central Bank, as a result of the unconventional monetary policy, caused fears on inflating national debt. The transmission from public debt to inflation through money supply and long-term interest rate will be shown in the paper. Based on these theoretical thoughts, the variables public debt, consumer price index, money supply m3 and long-term interest rate will be analysed within a vector error correction model estimated by Johansen approach. In the empirical part of the article, quarterly data for Germany from 1991 by 2010 are to be examined.
The Babylonian Talmud (BT) attributes the idea of committing a transgression for the sake of God to R. Nahman b. Isaac (RNBI). RNBI's statement appears in two parallel sugyot in the BT (Nazir 23a; Horayot 10a). Each sugya has four textual witnesses. By comparing these textual witnesses, this paper will attempt to reconstruct the sugya's earlier (or, what some might term, original) dialectical form, from which the two familiar versions of the text in Nazir and Horayot evolved. This article reveals the specific ways in which, value-laden conceptualizations have a major impact on the Talmud's formulation, as we know it today.
Eye-movement experiments suggest that the perceptual span during reading is larger than the fixated word, asymmetric around the fixation position, and shrinks in size contingent on the foveal processing load. We used the SWIFT model of eye-movement control during reading to test these hypotheses and their implications under the assumption of graded parallel processing of all words inside the perceptual span. Specifically, we simulated reading in the boundary paradigm and analysed the effects of denying the model to have valid preview of a parafoveal word n + 2 two words to the right of fixation. Optimizing the model parameters for the valid preview condition only, we obtained span parameters with remarkably realistic estimates conforming to the empirical findings on the size of the perceptual span. More importantly, the SWIFT model generated parafoveal processing up to word n + 2 without fitting the model to such preview effects. Our results suggest that asymmetry and dynamic modulation are plausible properties of the perceptual span in a parallel word-processing model such as SWIFT. Moreover, they seem to guide the flexible distribution of processing resources during reading between foveal and parafoveal words.
Researchers and developers worldwide have put their efforts into the design, development and use of information and communication technology to support teaching and learning. This research is driven by pedagogical as well as technological disciplines. The most challenging ideas are currently found in the application of mobile, ubiquitous, pervasive, contextualized and seamless technologies for education, which we shall refer to as pervasive education. This article provides a comprehensive overview of the existing work in this field and categorizes it with respect to educational settings. Using this approach, best practice solutions for certain educational settings and open questions for pervasive education are highlighted in order to inspire interested developers and educators. The work is assigned to different fields, identified by the main pervasive technologies used and the educational settings. Based on these assignments we identify areas within pervasive education that are currently disregarded or deemed challenging so that further research and development in these fields are stimulated in a trans-disciplinary approach. (C) 2013 Elsevier B.V. All rights reserved.
Model transformation is one of the key tasks in model-driven engineering and relies on the efficient matching and modification of graph-based data structures; its sibling graph rewriting has been used to successfully model problems in a variety of domains. Over the last years, a wide range of graph and model transformation tools have been developed all of them with their own particular strengths and typical application domains. In this paper, we give a survey and a comparison of the model and graph transformation tools that participated at the Transformation Tool Contest 2011. The reader gains an overview of the field and its tools, based on the illustrative solutions submitted to a Hello World task, and a comparison alongside a detailed taxonomy. The article is of interest to researchers in the field of model and graph transformation, as well as to software engineers with a transformation task at hand who have to choose a tool fitting to their needs. All solutions referenced in this article provide a SHARE demo. It supported the peer-review process for the contest, and now allows the reader to test the tools online.
Response spectra are of fundamental importance in earthquake engineering and represent a standard measure in seismic design for the assessment of structural performance. However, unlike Fourier spectral amplitudes, the relationship of response spectral amplitudes to seismological source, path, and site characteristics is not immediately obvious and might even be considered counterintuitive for high oscillator frequencies. The understanding of this relationship is nevertheless important for seismic-hazard analysis. The purpose of the present study is to comprehensively characterize the variation of response spectral amplitudes due to perturbations of the causative seismological parameters. This is done by calculating the absolute parameter sensitivities (sensitivity coefficients) defined as the partial derivatives of the model output with respect to its input parameters. To derive sensitivities, we apply algorithmic differentiation (AD). This powerful approach is extensively used for sensitivity analysis of complex models in meteorology or aerodynamics. To the best of our knowledge, AD has not been explored yet in the seismic-hazard context. Within the present study, AD was successfully implemented for a proven and extensively applied simulation program for response spectra (Stochastic Method SIMulation [SMSIM]) using the TAPENADE AD tool. We assess the effects and importance of input parameter perturbations on the shape of response spectra for different regional stochastic models in a quantitative way. Additionally, we perform sensitivity analysis regarding adjustment issues of groundmotion prediction equations.
Today, it is well known that galaxies like the Milky Way consist not only of stars but also of gas and dust. The galactic halo, a sphere of gas that surrounds the stellar disk of a galaxy, is especially interesting. It provides a wealth of information about in and outflowing gaseous material towards and away from galaxies and their hierarchical evolution. For the Milky Way, the so-called high-velocity clouds (HVCs), fast moving neutral gas complexes in the halo that can be traced by absorption-line measurements, are believed to play a crucial role in the overall matter cycle in our Galaxy. Over the last decades, the properties of these halo structures and their connection to the local circumgalactic and intergalactic medium (CGM and IGM, respectively) have been investigated in great detail by many different groups. So far it remains unclear, however, to what extent the results of these studies can be transferred to other galaxies in the local Universe. In this thesis, we study the absorption properties of Galactic HVCs and compare the HVC absorption characteristics with those of intervening QSO absorption-line systems at low redshift. The goal of this project is to improve our understanding of the spatial extent and physical conditions of gaseous galaxy halos in the local Universe. In the first part of the thesis we use HST /STIS ultraviolet spectra of more than 40 extragalactic background sources to statistically analyze the absorption properties of the HVCs in the Galactic halo. We determine fundamental absorption line parameters including covering fractions of different weakly/intermediately/highly ionized metals with a particular focus on SiII and MgII. Due to the similarity in the ionization properties of SiII and MgII, we are able to estimate the contribution of HVC-like halo structures to the cross section of intervening strong MgII absorbers at z = 0. Our study implies that only the most massive HVCs would be regarded as strong MgII absorbers, if the Milky Way halo would be seen as a QSO absorption line system from an exterior vantage point. Combining the observed absorption-cross section of Galactic HVCs with the well-known number density of intervening strong MgII absorbers at z = 0, we conclude that the contribution of infalling gas clouds (i.e., HVC analogs) in the halos of Milky Way-type galaxies to the cross section of strong MgII absorbers is 34%. This result indicates that only about one third of the strong MgII absorption can be associated with HVC analogs around other galaxies, while the majority of the strong MgII systems possibly is related to galaxy outflows and winds. The second part of this thesis focuses on the properties of intervening metal absorbers at low redshift. The analysis of the frequency and physical conditions of intervening metal systems in QSO spectra and their relation to nearby galaxies offers new insights into the typical conditions of gaseous galaxy halos. One major aspect in our study was to regard intervening metal systems as possible HVC analogs. We perform a detailed analysis of absorption line properties and line statistics for 57 metal absorbers along 78 QSO sightlines using newly-obtained ultraviolet spectra obtained with HST /COS. We find clear evidence for bimodal distribution in the HI column density in the absorbers, a trend that we interpret as sign for two different classes of absorption systems (with HVC analogs at the high-column density end). With the help of the strong transitions of SiII λ1260, SiIII λ1206, and CIII λ977 we have set up Cloudy photoionization models to estimate the local ionization conditions, gas densities, and metallicities. We find that the intervening absorption systems studied by us have, on average, similar physical conditions as Galactic HVC absorbers, providing evidence that many of them represent HVC analogs in the vicinity of other galaxies. We therefore determine typical halo sizes for SiII, SiIII, and CIII for L = 0.01L∗ and L = 0.05L∗ galaxies. Based on the covering fractions of the different ions in the Galactic halo, we find that, for example, the typical halo size for SiIII is ∼ 160 kpc for L = 0.05L∗ galaxies. We test the plausibility of this result by searching for known galaxies close to the QSO sightlines and at similar redshifts as the absorbers. We find that more than 34% of the measured SiIII absorbers have galaxies associated with them, with the majority of the absorbers indeed being at impact parameters ρ ≤160 kpc.
The control of gene expression by transcriptional regulators and other types of functionally relevant DNA transactions such as chromatin remodeling and replication underlie a vast spectrum of biological processes in all organisms. DNA transactions require the controlled interaction of proteins with DNA sequence motifs which are often located in nucleosome-depleted regions (NDRs) of the chromatin. Formaldehyde-assisted isolation of regulatory elements (FAIRE) has been established as an easy-to-implement method for the isolation of NDRs from a number of eukaryotic organisms, and it has been successfully employed for the discovery of new regulatory segments in genomic DNA from, for example, yeast, Drosophila, and humans. Until today, however, FAIRE has only rarely been employed in plant research and currently no detailed FAIRE protocol for plants has been published. Here, we provide a step-by-step FAIRE protocol for NDR discovery in Arabidopsis thaliana. We demonstrate that NDRs isolated from plant chromatin are readily amenable to quantitative polymerase chain reaction and next-generation sequencing. Only minor modification of the FAIRE protocol will be needed to adapt it to other plants, thus facilitating the global inventory of regulatory regions across species.