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Asymptotic Solutions of the Dirichlet Problem for the Heat Equation at a Characteristic Point
(2015)
The Dirichlet problem for the heat equation in a bounded domain aS, a"e (n+1) is characteristic because there are boundary points at which the boundary touches a characteristic hyperplane t = c, where c is a constant. For the first time, necessary and sufficient conditions on the boundary guaranteeing that the solution is continuous up to the characteristic point were established by Petrovskii (1934) under the assumption that the Dirichlet data are continuous. The appearance of Petrovskii's paper was stimulated by the existing interest to the investigation of general boundary-value problems for parabolic equations in bounded domains. We contribute to the study of this problem by finding a formal solution of the Dirichlet problem for the heat equation in a neighborhood of a cuspidal characteristic boundary point and analyzing its asymptotic behavior.
Prozessorientierte Didaktik
(2015)
n diesem Beitrag finden Sie ein von mir entwickeltes Konzept zum Lehren und Lernen in der Schule1. Ich nenne dieses Konzept prozessorientierte Didaktik. Ich habe die Hoffnung, gemeinsam mit Ihnen als Lehrer oder Lehramtsstudierende, aber auch mit Eltern, Wissenschaftlern, Experten für Bildung und Schülern, einen Beitrag zur Verbesserung unserer Schulpraxis zu leisten. Dass Schule sich bereits im Wandel befindet und wunderbar gelingen kann, sieht man beispielsweise an den Preisträgern des Deutschen Schulpreises. Leider sind diese Schulen immer noch in der Minderheit. Dieses Verhältnis umzukehren ist eine unserer größten Bildungsaufgaben für die nächsten Jahrzehnte.
Integrative studies of plant growth require spatially and temporally resolved information from high-throughput imaging systems. However, analysis and interpretation of conventional two-dimensional images is complicated by the three-dimensional nature of shoot architecture and by changes in leaf position over time, termed hyponasty. To solve this problem, Phytotyping(4D) uses a light-field camera that simultaneously provides a focus image and a depth image, which contains distance information about the object surface. Our automated pipeline segments the focus images, integrates depth information to reconstruct the three-dimensional architecture, and analyses time series to provide information about the relative expansion rate, the timing of leaf appearance, hyponastic movement, and shape for individual leaves and the whole rosette. Phytotyping(4D) was calibrated and validated using discs of known sizes, and plants tilted at various orientations. Information from this analysis was integrated into the pipeline to allow error assessment during routine operation. To illustrate the utility of Phytotyping(4D), we compare diurnal changes in Arabidopsis thaliana wild-type Col-0 and the starchless pgm mutant. Compared to Col-0, pgm showed very low relative expansion rate in the second half of the night, a transiently increased relative expansion rate at the onset of light period, and smaller hyponastic movement including delayed movement after dusk, both at the level of the rosette and individual leaves. Our study introduces light-field camera systems as a tool to accurately measure morphological and growth-related features in plants.
Significance Statement Phytotyping(4D) is a non-invasive and accurate imaging system that combines a 3D light-field camera with an automated pipeline, which provides validated measurements of growth, movement, and other morphological features at the rosette and single-leaf level. In a case study in which we investigated the link between starch and growth, we demonstrated that Phytotyping(4D) is a key step towards bridging the gap between phenotypic observations and the rich genetic and metabolic knowledge.
Arndt, Larissa R. ; Esser, Günter ; Weirich, Sebastian ; Oelsner, Henriette ; Ebersbach, Georg ; Bengner, Thomas
We examined face memory deficits in patients with Idiopathic Parkinson's disease (IPD) with specific regard to the moderating role of sex and the different memory processes involved. We tested short- and long-term face recognition memory in 18 nonclinical participants and 18 IPD-patients matched for sex, education and age. We varied the duration of item presentation (1, 5, 10s), the time of testing (immediately, 1hr, 24hrs) and the possibility to re-encode items. In accordance with earlier studies, we report face memory deficits in IPD. Moreover, our findings indicate that sex and encoding conditions may be important moderator variables. In contrast to healthy individuals, IPD-patients cannot gain from increasing duration of presentation. Furthermore, our results suggest that I PD leads to face memory deficits in women, only.
This study presents pioneering data on how adult early bilinguals (heritage speakers) and late bilingual speakers of Turkish and German process grammatical evidentiality in a visual world setting in comparison to monolingual speakers of Turkish. Turkish marks evidentiality, the linguistic reference to information source, through inflectional affixes signaling either direct (-DI) or indirect (-mls) evidentiality. We conducted an eyetracking-during-listening experiment where participants were given access to visual 'evidence' supporting the use of either a direct or indirect evidential form. The behavioral results indicate that the monolingual Turkish speakers comprehended direct and indirect evidential scenarios equally well. In contrast, both late and early bilinguals were less accurate and slower to respond to direct than to indirect evidentials. The behavioral results were also reflected in the proportions of looks data. That is, both late and early bilinguals fixated less frequently on the target picture in the direct than in the indirect evidential condition while the monolinguals showed no difference between these conditions. Taken together, our results indicate reduced sensitivity to the semantic and pragmatic function of direct evidential forms in both late and early bilingual speakers, suggesting a simplification of the Turkish evidentiality system in Turkish heritage grammars. We discuss our findings with regard to theories of incomplete acquisition and first language attrition.
We study systematically the estimation of Earth's core angular momentum (CAM) variation between 1962.0 and 2008.0 by using core surface flow models derived from the recent geomagnetic field model C(3)FM2. Various flow models are derived by changing four parameters that control the least squares flow inversion. The parameters include the spherical harmonic (SH) truncation degree of the flow models and two Lagrange multipliers that control the weights of two additional constraints. The first constraint forces the energy spectrum of the flow solution to follow a power law l-p, where l is the SH degree and p is the fourth parameter. The second allows to modulate the solution continuously between the dynamical states of tangential geostrophy (TG) and tangential magnetostrophy (TM). The calculated CAM variations are examined in reference to two features of the observed length-of-day (LOD) variation, namely, its secular trend and 6year oscillation. We find flow models in either TG or TM state for which the estimated CAM trends agree with the LOD trend. It is necessary for TM models to have their flows dominate at planetary scales, whereas TG models should not be of this scale; otherwise, their CAM trends are too steep. These two distinct types of flow model appear to correspond to the separate regimes of previous numerical dynamos that are thought to be applicable to the Earth's core. The phase of the subdecadal CAM variation is coherently determined from flow models obtained with extensively varying inversion settings. Multiple sources of model ambiguity need to be allowed for in discussing whether these phase estimates properly represent that of Earth's CAM as an origin of the observed 6year LOD oscillation.
Attenberger, Bianca ; Moussa, Mehdi El Sayed ; Brietzke, Thomas Martin ; Vreshch, Volodimir ; Holdt, Hans-Jürgen ; Lescop, Christophe ; Scheer, Manfred
A simple and straightforward approach to new polymetallic Ag-I and Cu-I supramolecules is presented. The reaction of N,P,N,P,N ligand 2 with Ag-I ions affords a trimetallic complex bearing a triangular Ag-3 core; metallophilic interactions are stabilized by ligands that display a multiple bridging coordination mode as 10-electron donors. Heteroleptic polymetallic Ag-I and Cu-I complexes based on ligand 2 and the 1,12-diazaperylene (dape) ligand are obtained by an alternative molecular organization of the polymetallic arrays compared to that in homoleptic complexes of ligand 2.
Attermeyer, Katrin ; Tittel, Joerg ; Allgaier, Martin ; Frindte, Katharina ; Wurzbacher, Christian ; Hilt, Sabine ; Kamjunke, Norbert ; Grossart, Hans-Peter
The fate of allochthonous dissolved organic carbon (DOC) in aquatic systems is primarily controlled by the turnover of heterotrophic bacteria. However, the roles that abiotic and biotic factors such as light and DOC release by aquatic primary producers play in the microbial decomposition of allochthonous DOC is not well understood. We therefore tested if light and autochthonous DOC additions would increase allochthonous DOC decomposition rates and change bacterial growth efficiencies and community composition (BCC). We established continuous growth cultures with different inocula of natural bacterial communities and alder leaf leachates (DOCleaf) with and without light exposure before amendment. Furthermore, we incubated DOCleaf together with autochthonous DOC from lysed phytoplankton cultures (DOCphyto). Our results revealed that pretreatments of DOCleaf with light resulted in a doubling of bacterial growth efficiency (BGE), whereas additions of DOCphyto or combined additions of DOCphyto and light had no effect on BGE. The change in BGE was not accompanied by shifts in the phylogenetic structure of the BCC, but BCC was influenced by the DOC source. Our results highlight that a doubling of BGE is not necessarily accompanied by a shift in BCC and that BCC is more strongly affected by resource properties.
A tectonic slice of an arc sequence consisting of low-grade metavolcanic rocks and overlying metasedimentary succession is exposed in the Central Pontides north of the Izmir-Ankara-Erzincan suture separating Laurasia from Gondwana-derived terranes. The metavolcanic rocks mainly consist of basaltic andesite/andesite and mafic cognate xenolith-bearing rhyolite with their pyroclastic equivalents, which are interbedded with recrystallized pelagic limestone and chert. The metasedimentary succession comprises recrystallized micritic limestone with rare volcanogenic metaclastic rocks and stratigraphically overlies the metavolcanic rocks. The geochemistry of the metavolcanic rocks indicates an arc setting evidenced by depletion of HFSE (Ti, P and Nb) and enrichment of fluid mobile LILE. Identical trace and rare earth elements compositions of basaltic andesites/andesites and rhyolites suggest that they are cogenetic and derived from a common parental magma. The arc sequence crops out between an Albian-Turonian subduction-accretionary complex representing the Laurasian active margin and an ophiolitic melange. Absence of continent derived detritus in the arc sequence and its tectonic setting in a wide Cretaceous accretionary complex suggest that the Kosdag Arc was intra-oceanic. Zircons from two metarhyolite samples give Late Cretaceous (93.8 +/- 1.9 and 94.4 +/- 1.9 Ma) U/Pb ages. These ages are the same as the age of the supra-subduction ophiolites in western Turkey, which implies that that the Kosdag Arc may represent part of the incipient arc formed during the generation of the supra-subduction ophiolites. The low-grade regional metamorphism in the Kosdag Arc is constrained to 69.9 +/- 0.4 Ma by Ar-40/Ar-39 muscovite dating indicating that the arc sequence became part of a wide Tethyan Cretaceous accretionary complex by the latest Cretaceous. Non-collisional cessation of the arc volcanism is possibly associated with southward migration of the magmatism as in the Izu-Bonin-Mariana arc system. (c) 2015 Elsevier Ltd. All rights reserved.
Albian-Turonian subduction-accretionary complexes are exposed widely in the Central Pontides. A major portion of the accretionary complexes is made up of a metaflysch sequence consisting of slate/phyllite and metasandstone intercalation with blocks of marble, Na-amphibole bearing metabasite, and serpentinite. The metaflysch sequence represents distal parts of a large Lower Cretaceous submarine turbidite fan deposited on the Laurasian active continental margin that was subsequently accreted and metamorphosed during the Albian. Raman spectra of carbonaceous material of the metapelitic rocks revealed that the metaflysch consists of metamorphic packets with distinct peak metamorphic temperatures. The majority of the metapelites are low-temperature (ca. 330 degrees C) slates characterized by lack of differentiation of the graphite (G) and D2 defect bands. They possibly represent offscraped distal turbidites along the toe of the Albian accretionary wedge. Other phyllites are characterized by a slightly pronounced G band with a D2 defect band occurring on its shoulder. Peak metamorphic temperatures of these phyllites are constrained to 370-385 degrees C. The phyllites are associated with a strip of incipient blueschist facies metabasites and are found as a sliver within the offscraped distal turbidites. We interpret the phyllites as underplated continental sediments together with oceanic crustal basalt along the basal decollement. Tectonic emplacement of the underplated rocks into the offscraped distal turbidites was possibly achieved by out-of-sequence thrusting causing tectonic thickening and uplift of the wedge.
Network Topology Discovery and Inventory Listing are two of the primary features of modern network monitoring systems (NMS). Current NMSs rely heavily on active scanning techniques for discovering and mapping network information. Although this approach works, it introduces some major drawbacks such as the performance impact it can exact, specially in larger network environments. As a consequence, scans are often run less frequently which can result in stale information being presented and used by the network monitoring system. Alternatively, some NMSs rely on their agents being deployed on the hosts they monitor. In this article, we present a new approach to Network Topology Discovery and Network Inventory Listing using only passive monitoring and scanning techniques. The proposed techniques rely solely on the event logs produced by the hosts and network devices present within a network. Finally, we discuss some of the advantages and disadvantages of our approach.
We compute explicitly, and without any extra regularity assumptions, the large time limit of the fibrewise heat operator for Bismut-Lott type superconnections in the L-2-setting. This is motivated by index theory on certain non-compact spaces (families of manifolds with cocompact group action) where the convergence of the heat operator at large time implies refined L-2-index formulas.
As applications, we prove a local L-2-index theorem for families of signature operators and an L-2-Bismut-Lott theorem, expressing the Becker-Gottlieb transfer of flat bundles in terms of Kamber-Tondeur classes. With slightly stronger regularity we obtain the respective refined versions: we construct L-2-eta forms and L-2-torsion forms as transgression forms.
Introduction to Georg Lukacs: Why Democracies are superior to Autocracies? and The real Germany
(2015)
Two short typescripts by G. Lukacs from the archive, dating from 1941/42, shed light on his appraisal of the cultural 'inner reserves' of Germany and the 'moral reserves' of the democracies involved in the Second World War, as well as on Lukacs's political philosophy at that time. The conception of an intrinsic interrelation of a humanist philosophical anthropology and rationalist epistemology elucidates his egalitarian and democratic account. Both texts are located within the intellectual development of the author in an introduction by the editor, which sketches the historical background and indicates relevant contemporaneous theoretical and political debates, such as the controversies over realism and humanism and also a dispute with K. Jaspers on German collective guilt.
Einleitung zu Georg Lukács
(2015)
Two short typescripts by G. Lukacs from the archive, dating from 1941/42, shed light on his appraisal of the cultural ‘inner reserves’ of Germany and the ‘moral reserves’ of the democracies involved in the Second World War, as well as on Lukacs’s political philosophy at that time. The conception of an intrinsic interrelation of a humanist philosophical anthropology and rationalist epistemology elucidates his egalitarian and democratic account. Both texts are located within the intellectual development of the author in an introduction by the editor, which sketches the historical background and indicates relevant contemporaneous theoretical and political debates, such as the controversies over realism and humanism and also a dispute with K. Jaspers on German collective guilt.
Using the artificial language paradigm, we studied the acquisition of morphophonemic alternations with exceptions by 160 German adult learners. We tested the acquisition of two types of alternations in two regularity conditions while additionally varying length of training. In the first alternation, a vowel harmony, backness of the stem vowel determines backness of the suffix. This process is grounded in substance (phonetic motivation), and this universal phonetic factor bolsters learning a generalization. In the second alternation, tenseness of the stem vowel determines backness of the suffix vowel. This process is not based in substance, but it reflects a phonotactic property of German and our participants benefit from this language-specific factor. We found that learners use both cues, while substantive bias surfaces mainly in the most unstable situation. We show that language-specific and universal factors interact in learning.
We find necessary conditions for a second order ordinary differential equation to be equivalent to the Painleve III equation under a general point transformation. Their sufficiency is established by reduction to known results for the equations of the form y ' = f (x, y). We consider separately the generic case and the case of reducibility to an autonomous equation. The results are illustrated by the primary resonance equation.
Baier, Daniel ; Purschke, Benedict ; Schmitt, Christophe ; Rawel, Harshadrai Manilal ; Knorr, Dietrich
In this study, structural changes in micellar caseins and whey proteins due to high pressure - low temperature treatments (HPLT) were investigated and compared to changes caused by high pressure treatments at room temperature. Whey protein isolate (WPI) solutions as well as micellar casein (MC) dispersions and mixtures were treated at 500 MPa (pH 7.0 and 5.8) at room temperature, -15 degrees C and -35 degrees C. Surface hydrophobicity and accessible thiol groups remained nearly unchanged after HPLT treatments whereas HP treatments at room temperature caused an unfolding of the WPI, resulting in an increase in surface hydrophobicity and exposure of the thiol groups. For HPLT treatments, distinct changes in the secondary structure (increase in the amount of beta-sheets) were observed while the tertiary structure remained unchanged. Large flocs, stabilized by hydrophobic interactions and hydrogen bonds, were formed in casein containing samples due to HPLT treatments. Depending on the pH and the applied HPLT treatment parameters, these interactions differed significantly from the interactions determined in native micelles. (C) 2015 Elsevier Ltd. All rights reserved.
The PEPPSI (Pyridine Enhanced Precatalyst Preparation, Stabilization and Initiation) complexes 12-15 with the structure [PdCl2{(CN)(2)IMes}(3-R-py)] (12: R = H; 13: R = Cl; 14: R = Br; 15: R = CN) bearing the maleonitrile-based N-heterocyclic carbene (NHC) (CN)(2)IMes ({(CN)(2)IMes}: 4,5-dicyano-1,3-dimesitylimidazol-2-ylidene) were prepared. Solid state structures of 14 and 15 were obtained. Complexes 14 and 15 adopt a slightly distorted square-planar coordination geometry in the solid state with the substituted pyridine ligand trans to the NHC. Catalytic activities of precatalysts 12-15 were studied and subsequently compared to complexes [PdCl2{(CN)(2)IMes}(PPh3)] (4) and [PdCl(dmba){(CN)(2)IMes}] (5) recently reported by our group in the Suzuki-Miyaura reaction of various aryl halides and phenylboronic acid. Reactions using previously reported [PdCl2(IMes)(py)] (IMes: 1,3-dimesitylimidazol-2-ylidene) (1) were also carried out and their results contrasted to those involving 12-15, 4 and 5. Differences in initiation rates and the catalytically active species related to the seven complexes in regards to the throw away ligand were investigated. Poisoning experiments with mercury show that palladium nanoparticles are responsible for the catalytic activity.
Das vorliegende Kapitel betrachtet die Entscheidungsorientierung im Sustainable Marketing Management als Problem der Auswahl derjenigen Handlungsalternativen, die unter den jeweiligen Markt- und Umweltbedingungen zu den besten Ergebnissen, d. h. zu einer möglichst vollständigen Erreichung von gesetzten ökonomischen, ökologischen und sozialen Zielen (Triple-Bottom Line-Konzept ), führen. Es wird dargestellt, dass das Sustainable Marketing Management am klassischen Marketing Management-Konzept anknüpft und die Marktperspektive um die Bereiche Gesellschaft und natürliche Umwelt erweitert. Die zu treffenden Entscheidungen umfassen alle Managementbereiche der Zielsetzung, Analyse, Planung, Strategieformulierung, Implementierung und Kontrolle. Vorgestellt werden strategische Analyse- und Planungsmethoden und -instrumente im Sustainability Marketing Management. Die strategische Sustainability Analyse umfasst die Sustainability Stärken-Schwächen-Analyse sowie die Sustainability Chancen-Risiken-Analyse. Als Grundlage der operativen Sustainability Analyse werden nachhaltigkeitsbezogene Indikatoren und Kennzahlen vorgestellt.
Die Populärkultur hat mit der Sitcom ein eigentümliches Genre im Fernsehen etabliert. Während Fernsehserien oft hinausblicken in jene Bereiche, die sich zum Teil drastisch von der Lebenswelt des Zuschauers unterscheiden, widersetzt sich die Sitcom seit über einem
halben Jahrhundert dieser Blickrichtung. Stattdessen lenkt sie die populärkulturelle Aufmerksamkeit auf Themen, die diesseits unseres
lebensweltlichen Horizonts verortet sind und liefert Alltagsbeschreibungen in pointierter Form. Damit bündelt sie eine Fülle von gesellschaftlichen Relevanzen und situiert sie dort, wo sie zugleich ihr Publikum findet: zu Hause, in den eigenen vier Wänden.
Situation Comedies erweisen sich nicht nur deswegen als soziologische Erkenntnismittel, die – gerade weil es sich bei ihnen um Wirklichkeitskonstruktionen zweiter Ordnung handelt – normativ aufgeladene Bilder des Alltags zeigen. Im Genre der Sitcom wird dem Alltag als Sujet gleichsam ein medialer Ort innerhalb der Populärkultur zugewiesen.
Die damit einhergehenden soziologischen und medialen Facetten ergründet die vorliegende Studie – als erste deutschsprachige Monografie zu dem Thema – im Hinblick auf verschiedene Topoi wissenssoziologisch und hermeneutisch am Beispiel ausgewählter Sitcoms der zurückliegenden 20 Jahre. Als beeindruckend erweisen sich hierbei die tiefgreifenden und bildhaften Analysen der Sitcoms und ihre Rückbindungen an wissens-, kultur- und allgemeinsoziologische Erkenntnisse. Die Sitcom erscheint als Unter-haltungsformat, das nicht nur Alltagsgeschichten erzählt, sondern die Produktions- und Rezeptionsbedingungen dieser Geschichten immer auch miterzählt. Es handelt sich mithin um mediale Artefakte, die gleichsam als unterhaltsame Mittel gesellschaftlicher Wahrnehmung und medialer Selbstwahrnehmung auftreten.
Angelegt als qualitative Studie an der Schnittstelle von Medien- und Sozialwis-senschaften, fügt das Buch dem gegenwärtigen Diskurs um Populärkultur, Fernsehserien und Kulturwissenschaften eine soziologisch fundierte Perspektive hinzu, die für Sozial- und Medienwissenschaftler ebenso anregend ist wie für jene, die mit besonderem Augenmerk auf die gegenwärtige akademische Rezeption von TV-Serien schauen – kenntnisreich dargelegt in einer klaren und zugänglichen Sprache
Ballato, Paolo ; Landgraf, Angela ; Schildgen, Taylor F. ; Stockli, Daniel F. ; Fox, Matthew ; Ghassemi, Mohammad R. ; Kirby, Eric ; Strecker, Manfred
The idea that climatically modulated erosion may impact orogenic processes has challenged geoscientists for decades. Although modeling studies and physical calculations have provided a solid theoretical basis supporting this interaction, to date, field-based work has produced inconclusive results. The central-western Alborz Mountains in the northern sectors of the Arabia-Eurasia collision zone constitute a promising area to explore these potential feedbacks. This region is characterized by asymmetric precipitation superimposed on an orogen with a history of spatiotemporal changes in exhumation rates, deformation patterns, and prolonged, km-scale base-level changes. Our analysis suggests that despite the existence of a strong climatic gradient at least since 17.5 Ma, the early orogenic evolution (from similar to 36 to 9-6 Ma) was characterized by decoupled orographic precipitation and tectonics. In particular, faster exhumation and sedimentation along the more arid southern orogenic flank point to a north-directed accretionary flux and underthrusting of Central Iran. Conversely, from 6 to 3 Ma, erosion rates along the northern orogenic flank became higher than those in the south, where they dropped to minimum values. This change occurred during a similar to 3-Myr-long, km-scale base-level lowering event in the Caspian Sea. We speculate that mass redistribution processes along the northern flank of the Alborz and presumably across all mountain belts adjacent to the South Caspian Basin and more stable areas of the Eurasian plate increased the sediment load in the basin and ultimately led to the underthrusting of the Caspian Basin beneath the Alborz Mountains. This underthrusting in turn triggered a new phase of northward orogenic expansion, transformed the wetter northern flank into a new pro-wedge, and led to the establishment of apparent steady-state conditions along the northern orogenic flank (i.e., rock uplift equal to erosion rates). Conversely, the southern mountain front became the retro-wedge and experienced limited tectonic activity. These observations overall raise the possibility that mass-distribution processes during a pronounced erosion phase driven by base-level changes may have contributed to the inferred regional plate-tectonic reorganization of the northern Arabia-Eurasia collision during the last similar to 5 Ma. (C) 2015 Elsevier B.V. All rights reserved.
Optical properties of modified diamondoids have been studied theoretically using vibrationally resolved electronic absorption, emission and resonance Raman spectra. A time-dependent correlation function approach has been used for electronic two-state models, comprising a ground state (g) and a bright, excited state (e), the latter determined from linear-response, time-dependent density functional theory (TD-DFT). The harmonic and Condon approximations were adopted. In most cases origin shifts, frequency alteration and Duschinsky rotation in excited states were considered. For other cases where no excited state geometry optimization and normal mode analysis were possible or desired, a short-time approximation was used. The optical properties and spectra have been computed for (i) a set of recently synthesized sp(2)/sp(3) hybrid species with CQC double-bond connected saturated diamondoid subunits, (ii) functionalized (mostly by thiol or thione groups) diamondoids and (iii) urotropine and other C-substituted diamondoids. The ultimate goal is to tailor optical and electronic features of diamondoids by electronic blending, functionalization and substitution, based on a molecular-level understanding of the ongoing photophysics.
Optical properties of modified diamondoids have been studied theoretically using vibrationally resolved electronic absorption, emission and resonance Raman spectra. A time-dependent correlation function approach has been used for electronic two-state models, comprising a ground state (g) and a bright, excited state (e), the latter determined from linear-response, time-dependent density functional theory (TD-DFT). The harmonic and Condon approximations were adopted. In most cases origin shifts, frequency alteration and Duschinsky rotation in excited states were considered. For other cases where no excited state geometry optimization and normal mode analysis were possible or desired, a short-time approximation was used. The optical properties and spectra have been computed for (i) a set of recently synthesized sp2/sp3 hybrid species with C[double bond, length as m-dash]C double-bond connected saturated diamondoid subunits, (ii) functionalized (mostly by thiol or thione groups) diamondoids and (iii) urotropine and other C-substituted diamondoids. The ultimate goal is to tailor optical and electronic features of diamondoids by electronic blending, functionalization and substitution, based on a molecular-level understanding of the ongoing photophysics.
Cosmic-Ray neutron sensing (CRS) is a unique approach to measure soil moisture at field scale filling the gap of current methodologies. However, CRS signal is affected by all the hydrogen pools on the land surface and understanding their relative importance plays an important role for the application of the method e.g., validation of remote sensing products and data assimilation. In this study, a soil moisture scaling approach is proposed to estimate directly the correct CRS soil moisture based on the soil moisture profile measured at least in one position within the field. The approach has the advantage to avoid the need to introduce one correction for each hydrogen contribution and to estimate indirectly all the related time-varying hydrogen pools. Based on the data collected in three crop seasons, the scaling approach shows its ability to identify and to quantify the seasonal biomass water equivalent. Additionally, the analysis conducted at sub-daily time resolution is able to quantify the daily vertical redistribution of the water biomass and the rainfall interception, showing promising applications of the CRS method also for these types of measurements. Overall, the study underlines how not only soil moisture but all the specific hydrological processes in the soil-plant-atmosphere continuum should be considered for a proper evaluation of the CRS signal. For this scope, the scaling approach reveals to be a simple and pragmatic analysis that can be easily extended to other experimental sites. (C) 2015 Elsevier B.V. All rights reserved.
Bartesaghi, Davide ; Perez, Irene del Carmen ; Kniepert, Juliane ; Roland, Steffen ; Turbiez, Mathieu ; Neher, Dieter ; Koster, L. Jan Anton
Among the parameters that characterize a solar cell and define its power-conversion efficiency, the fill factor is the least well understood, making targeted improvements difficult. Here we quantify the competition between charge extraction and recombination by using a single parameter theta, and we demonstrate that this parameter is directly related to the fill factor of many different bulk-heterojunction solar cells. Our finding is supported by experimental measurements on 15 different donor: acceptor combinations, as well as by drift-diffusion simulations of organic solar cells in which charge-carrier mobilities, recombination rate, light intensity, energy levels and active-layer thickness are all varied over wide ranges to reproduce typical experimental conditions. The results unify the fill factors of several very different donor: acceptor combinations and give insight into why fill factors change so much with thickness, light intensity and materials properties. To achieve fill factors larger than 0.8 requires further improvements in charge transport while reducing recombination.
Combinations of runoff characteristics are commonly used to represent distinct conceptual models of stormflow generation. In this study, three runoff characteristics: hydrograph response, time source of runoff water, and flow path are used to classify catchments. Published data from the scientific literature are used to provide evidence from small, forested catchments. Each catchment was assigned to one of the eight conceptual models, depending on the combination of quick/slow response, old/new water, and overland/subsurface flow. A standard procedure was developed to objectively diagnose the predominant conceptual model of stormflow generation for each catchment and assess its temporal and spatial support. The literature survey yielded 42 catchments, of which 30 catchments provide a complete set of qualitative runoff characteristics resulting in one of the eight conceptual models. The majority of these catchments classify as subsurface flow path dominated. No catchments were found for conceptual models representing combinations of quick response-new water-subsurface flow (SSF), slow-new-SSF, slow-old-overland flow (OF) nor new-slow-OF. Of the 30 qualitatively classified catchments, 24 provide a complete set of quantitative measures. In summary, the field support is strong for 19 subsurface-dominated catchments and is weak for 5 surface flow path dominated catchments (six catchments had insufficient quantitative data). Two alternative explanations exist for the imbalance of field support between the two flow path classes: (1) the selection of research catchments in past field studies was mainly to explain quick hydrograph response in subsurface dominated catchments; (2) catchments with prevailing subsurface flow paths are more common in nature. We conclude that the selection of research catchments needs to cover a wider variety of environmental conditions which should lead to a broader, and more widely applicable, spectrum of resulting conceptual models and process mechanisms. This is a prerequisite in studies where catchment organization and similarity approaches are used to develop catchment classification systems in order to regionalize stormflow.
Bartoloni, Marco ; Jin, Xian ; Marcaida, Maria José ; Banha, Joao ; Dibonaventura, Ivan ; Bongoni, Swathi ; Bartho, Kathrin ; Gräbner, Olivia ; Sefkow, Michael ; Darbre, Tamis ; Reymond, Jean-Louis
Double cyclization of short linear peptides obtained by solid phase peptide synthesis was used to prepare bridged bicyclic peptides (BBPs) corresponding to the topology of bridged bicyclic alkanes such as norbornane. Diastereomeric norbornapeptides were investigated by 1H-NMR, X-ray crystallography and CD spectroscopy and found to represent rigid globular scaffolds stabilized by intramolecular backbone hydrogen bonds with scaffold geometries determined by the chirality of amino acid residues and sharing structural features of β-turns and α-helices. Proteome profiling by capture compound mass spectrometry (CCMS) led to the discovery of the norbornapeptide 27c binding selectively to calmodulin as an example of a BBP protein binder. This and other BBPs showed high stability towards proteolytic degradation in serum.
Recent experiments show that transcription factors (TFs) indeed use the facilitated diffusion mechanism to locate their target sequences on DNA in living bacteria cells: TFs alternate between sliding motion along DNA and relocation events through the cytoplasm. From simulations and theoretical analysis we study the TF-sliding motion for a large section of the DNA-sequence of a common E. coli strain, based on the two-state TF-model with a fast-sliding search state and a recognition state enabling target detection. For the probability to detect the target before dissociating from DNA the TF-search times self-consistently depend heavily on whether or not an auxiliary operator (an accessible sequence similar to the main operator) is present in the genome section. Importantly, within our model the extent to which the interconversion rates between search and recognition states depend on the underlying nucleotide sequence is varied. A moderate dependence maximises the capability to distinguish between the main operator and similar sequences. Moreover, these auxiliary operators serve as starting points for DNA looping with the main operator, yielding a spectrum of target detection times spanning several orders of magnitude. Auxiliary operators are shown to act as funnels facilitating target detection by TFs.
Bauer, Monika ; Hartmann, Lutz ; Kleinpeter, Erich ; Kuschel, Frank ; Pithart, Cornelia ; Weissflog, Wolfgang
Chiral dopants were obtained by acylation of enantiomerically pure ephedrine and pseudoephedrine with promesogenic carbonyl reagents. The products have been investigated with respect to their chiral transfer ability on nematic host matrices characterized by extreme differences of the dielectric anisotropy. It has been found that the medium dependence of the helicity induction nearly disappears at reduced temperatures. Based on variable temperature H-1 NMR studies on monoacylated homologues, the estimated coalescence temperatures and free activation enthalpies for the hindered rotation around C-N bonds could be correlated with the helical twisting power. Measurements by dielectric spectroscopy reveal the correlation between the molar mass of substituents linked to the chiral building block and the dynamic glass transition of corresponding chiral dopants. Furthermore, the effect of intramolecular and intermolecular hydrogen bonds has been studied by ATR-FTIR spectroscopy.
Bauman, Spenser ; Bolz, Carl Friedrich ; Hirschfeld, Robert ; Kirilichev, Vasily ; Pape, Tobias ; Siek, Jeremy G. ; Tobin-Hochstadt, Sam
We present Pycket, a high-performance tracing JIT compiler for Racket. Pycket supports a wide variety of the sophisticated features in Racket such as contracts, continuations, classes, structures, dynamic binding, and more. On average, over a standard suite of benchmarks, Pycket outperforms existing compilers, both Racket's JIT and other highly-optimizing Scheme compilers. Further, Pycket provides much better performance for Racket proxies than existing systems, dramatically reducing the overhead of contracts and gradual typing. We validate this claim with performance evaluation on multiple existing benchmark suites.
The Pycket implementation is of independent interest as an application of the RPython meta-tracing framework (originally created for PyPy), which automatically generates tracing JIT compilers from interpreters. Prior work on meta-tracing focuses on bytecode interpreters, whereas Pycket is a high-level interpreter based on the CEK abstract machine and operates directly on abstract syntax trees. Pycket supports proper tail calls and first-class continuations. In the setting of a functional language, where recursion and higher-order functions are more prevalent than explicit loops, the most significant performance challenge for a tracing JIT is identifying which control flows constitute a loop-we discuss two strategies for identifying loops and measure their impact.
Prosody and information status in typological perspective - Introduction to the Special Issue
(2015)
While N-body simulations suggest a cuspy profile in the centra of the dark matter halos of galaxies, the majority of astronomical observations favor a relatively soft cored density distribution of these regions. The routine method of testing the convergence of N-body simulations (in particular, the negligibility of two-body scattering effect) is to find the conditions under which formed structures is insensitive to numerical parameters. The results obtained with this approach suggest a surprisingly minor role of the particle collisions: the central density profile remains untouched and close to the Navarro-Frenk-White shape, even if the simulation time significantly exceeds the collisional relaxation time tau(r). In order to check the influence of the unphysical test body collisions we use the Fokker-Planck equation. It turns out that a profile rho proportional to r(-beta) where beta similar or equal to 1 is an attractor: the Fokker-Planck diffusion transforms any reasonable initial distribution into it in a time shorter than tau(r), and then the cuspy profile should survive much longer than tau(r), since the Fokker-Planck diffusion is self-compensated if beta similar or equal to 1. Thus the purely numerical effect of test body scattering may create a stable NFW-like pseudosolution. Moreover, its stability may be mistaken for the simulation convergence. We present analytical estimations for this potential bias effect and call for numerical tests. For that purpose, we suggest a simple test that can be performed as the simulation progresses and would indicate the magnitude of the collisional influence and the veracity of the simulation results. (C) 2014 Elsevier B.V. All rights reserved.
Behrens, Karsten ; Mondal, Suvendu Selchar ; Nöske, Robert ; Baburin, Igor A. ; Leoni, Stefano ; Günter, Christina ; Weber, Jens ; Holdt, Hans-Jürgen
In this work, we report three isostructural 3D frameworks, named IFP-11 (R = Cl), IFP-12 (R = Br), and IFP-13 (R = Et) (IFP = Imidazolate Framework Potsdam) based on a cobalt(II) center and the chelating linker 2-substituted imidazolate-4-amide-5-imidate. These chelating ligands were generated in situ by partial hydrolysis of 2-substituted 4,5-dicyanoimidazoles under microwave (MW)-assisted conditions in DMF. Structure determination of these IFPs was investigated by IR spectroscopy and a combination of powder X-ray diffraction (PXRD) with structure modeling. The structural models were initially built up from the single-crystal X-ray structure determination of IFP-5 (a cobalt center and 2-methylimidazolate-4-amide-5-imidate linker based framework) and were optimized by using density functional theory calculations. Substitution on position 2 of the linker (R = Cl, Br, and Et) in the isostructural IFP-11, -12, and -13 allowed variation of the potential pore window in 1D hexagonal channels (3.8 to 1.7 angstrom A). The potential of the materials to undergo specific interactions with CO2 was measured by the isosteric heat adsorption. Further, we resynthesized zinc based IFPs, namely IFP-1 = Me), IFP-2 (R = Cl), IFP-3 (R = Br), and IFP-4 (R = Et), and cobalt based IFP-5 under MW-assisted conditions with higher yield. The transition from a nucleation phase to the pure crystalline material of IFP-1 in MW-assisted synthesis depends on reaction time. IFP-1, -3, and -5, which are synthesized by MW-assisted conditions, showed an enhancement of N-2 and CO2, compared to the analogous conventional electrical (CE) heating method based materials due to crystal defects.
Behrens, Ricarda ; Bouchez, Julien ; Schuessler, Jan A. ; Dultz, Stefan ; Hewawasam, Tilak ; von Blanckenburg, Friedhelm
In the Sri Lankan Highlands erosion and chemical weathering rates are among the lowest for global mountain denudation. In this tropical humid setting, highly weathered deep saprolite profiles have developed from high-grade metamorphic charnockite during spheroidal weathering of the bedrock. The spheroidal weathering produces rounded corestones and spalled rindlets at the rock-saprolite interface. We used detailed textural, mineralogical and chemical analyses to reconstruct the sequence of weathering reactions and their causes. The first mineral attacked by weathering was found to be pyroxene initiated by in situ Fe oxidation. Volumetric calculations suggest that this oxidation leads to the generation of porosity due to the formation of micro-fractures allowing for fluid transport and subsequent dissolution of biotite and plagioclase. The rapid ensuing plagioclase weathering leads to formation of high secondary porosity in the corestone over a distance of only a few cm and eventually to the final disaggregation of bedrock to saprolite. The first secondary phases are oxides or amorphous precipitates from which secondary minerals (mainly gibbsite, kaolinite and goethite) form. As oxidation is the first weathering reaction, the supply of O-2 is a rate-limiting factor for chemical weathering. Hence, the supply of O-2 and its consumption at depth connects processes at the weathering front with those at the Earth's surface in a feedback mechanism. The strength of the feedback depends on the relative weight of advective versus diffusive transport of O-2 through the weathering profile. The feedback will be stronger with dominating diffusive transport. The low weathering rate is explained by the nature of this feedback that is ultimately dependent on the transport of O-2 through the whole regolith, and on lithological factors such as low bedrock porosity and the amount of Fe-bearing primary minerals. Tectonic quiescence in this region and low pre-development erosion rate (attributed to a dense vegetation cover) minimize the rejuvenation of the thick and cohesive regolith column, finally leading to low denudation rates. (C) 2015 Elsevier B.V. All rights reserved.
Beisebekov, Madiar Maratovich ; Serikpayeva, Saniya B. ; Zhumagalieva, Shynar Nurlanovna ; Beisebekov, Marat Kianovich ; Abilov, Zharylkasyn Abduachitovich ; Kosmella, Sabine ; Koetz, Joachim
Chemically cross-linked composite gels based on bentonite clay from Manyrak deposit (Kazakhstan Republic) and nonionic polymers, i.e., poly(hydroxyethylacrylate) and poly(acrylamide), were polymerized in situ after preliminary intercalation of monomers in an aqueous suspension of bentonite clay. By means of cryo-scanning electron microscopy, it was shown that bentonite clay is well incorporated into the gel network structure with pore sizes up to 1.5 mu m. The intercalated bentonite clay can adsorb cationic surfactants as well as heavy metal ions due to electrostatic interactions. Conductometric and surface tension measurements indicate not only the adsorption of surfactants and heavy metals inside the hydrogel, but also the displacement of the critical micellization concentration (CMC) of the surfactants.
Bender, Stephan ; Banaschewski, Tobias ; Rößner, Veit ; Klein, Christoph ; Rietschel, Marcella ; Feige, Bernd ; Brandeis, Daniel ; Laucht, Manfred
Brain activation stability is crucial to understanding attention lapses. EEG methods could provide excellent markers to assess neuronal response variability with respect to temporal (intertrial coherence) and spatial variability (topographic consistency) as well as variations in activation intensity (low frequency variability of single trial global field power).
We calculated intertrial coherence, topographic consistency and low frequency amplitude variability during target P300 in a continuous performance test in 263 15-year-olds from a cohort with psychosocial and biological risk factors.
Topographic consistency and low frequency amplitude variability predicted reaction time fluctuations (RTSD) in a linear model. Higher RTSD was only associated with higher psychosocial adversity in the presence of the homozygous 6R-10R dopamine transporter haplotype.
We propose that topographic variability of single trial P300 reflects noise as well as variability in evoked cortical activation patterns. Dopaminergic neuromodulation interacted with environmental and biological risk factors to predict behavioural reaction time variability. (C) 2015 Elsevier B.V. All rights reserved.