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Systems of Systems (SoS) have received a lot of attention recently. In this thesis we will focus on SoS that are built atop the techniques of Service-Oriented Architectures and thus combine the benefits and challenges of both paradigms. For this thesis we will understand SoS as ensembles of single autonomous systems that are integrated to a larger system, the SoS. The interesting fact about these systems is that the previously isolated systems are still maintained, improved and developed on their own. Structural dynamics is an issue in SoS, as at every point in time systems can join and leave the ensemble. This and the fact that the cooperation among the constituent systems is not necessarily observable means that we will consider these systems as open systems. Of course, the system has a clear boundary at each point in time, but this can only be identified by halting the complete SoS. However, halting a system of that size is practically impossible. Often SoS are combinations of software systems and physical systems. Hence a failure in the software system can have a serious physical impact what makes an SoS of this kind easily a safety-critical system. The contribution of this thesis is a modelling approach that extends OMG's SoaML and basically relies on collaborations and roles as an abstraction layer above the components. This will allow us to describe SoS at an architectural level. We will also give a formal semantics for our modelling approach which employs hybrid graph-transformation systems. The modelling approach is accompanied by a modular verification scheme that will be able to cope with the complexity constraints implied by the SoS' structural dynamics and size. Building such autonomous systems as SoS without evolution at the architectural level --- i. e. adding and removing of components and services --- is inadequate. Therefore our approach directly supports the modelling and verification of evolution.
Even though quite different in occurrence and consequences, from a modeling perspective many natural hazards share similar properties and challenges. Their complex nature as well as lacking knowledge about their driving forces and potential effects make their analysis demanding: uncertainty about the modeling framework, inaccurate or incomplete event observations and the intrinsic randomness of the natural phenomenon add up to different interacting layers of uncertainty, which require a careful handling. Nevertheless deterministic approaches are still widely used in natural hazard assessments, holding the risk of underestimating the hazard with disastrous effects. The all-round probabilistic framework of Bayesian networks constitutes an attractive alternative. In contrast to deterministic proceedings, it treats response variables as well as explanatory variables as random variables making no difference between input and output variables. Using a graphical representation Bayesian networks encode the dependency relations between the variables in a directed acyclic graph: variables are represented as nodes and (in-)dependencies between variables as (missing) edges between the nodes. The joint distribution of all variables can thus be described by decomposing it, according to the depicted independences, into a product of local conditional probability distributions, which are defined by the parameters of the Bayesian network. In the framework of this thesis the Bayesian network approach is applied to different natural hazard domains (i.e. seismic hazard, flood damage and landslide assessments). Learning the network structure and parameters from data, Bayesian networks reveal relevant dependency relations between the included variables and help to gain knowledge about the underlying processes. The problem of Bayesian network learning is cast in a Bayesian framework, considering the network structure and parameters as random variables itself and searching for the most likely combination of both, which corresponds to the maximum a posteriori (MAP score) of their joint distribution given the observed data. Although well studied in theory the learning of Bayesian networks based on real-world data is usually not straight forward and requires an adoption of existing algorithms. Typically arising problems are the handling of continuous variables, incomplete observations and the interaction of both. Working with continuous distributions requires assumptions about the allowed families of distributions. To "let the data speak" and avoid wrong assumptions, continuous variables are instead discretized here, thus allowing for a completely data-driven and distribution-free learning. An extension of the MAP score, considering the discretization as random variable as well, is developed for an automatic multivariate discretization, that takes interactions between the variables into account. The discretization process is nested into the network learning and requires several iterations. Having to face incomplete observations on top, this may pose a computational burden. Iterative proceedings for missing value estimation become quickly infeasible. A more efficient albeit approximate method is used instead, estimating the missing values based only on the observations of variables directly interacting with the missing variable. Moreover natural hazard assessments often have a primary interest in a certain target variable. The discretization learned for this variable does not always have the required resolution for a good prediction performance. Finer resolutions for (conditional) continuous distributions are achieved with continuous approximations subsequent to the Bayesian network learning, using kernel density estimations or mixtures of truncated exponential functions. All our proceedings are completely data-driven. We thus avoid assumptions that require expert knowledge and instead provide domain independent solutions, that are applicable not only in other natural hazard assessments, but in a variety of domains struggling with uncertainties.
Zur Unterstützung von Studierenden in der Studieneingangsphase wurde an der RWTH Aachen ein neuartiger und motivierender Einstieg in den Vorkurs Informatik entwickelt und zum Wintersemester 2011/12 erprobt. Dabei wurde die grafische Programmierung mittels App Inventor eingeführt, die zur Umsetzung anwendungsbezogener Projekte genutzt wurde. In diesem Beitrag werden die Motivation für die Neugestaltung, das Konzept und die Evaluation des Testlaufs beschrieben. Diese dienen als Grundlage für eine vollständige Neukonzeption des Vorkurses für das Wintersemester 2012/2013.
The course timetabling problem can be generally defined as the task of assigning a number of lectures to a limited set of timeslots and rooms, subject to a given set of hard and soft constraints. The modeling language for course timetabling is required to be expressive enough to specify a wide variety of soft constraints and objective functions. Furthermore, the resulting encoding is required to be extensible for capturing new constraints and for switching them between hard and soft, and to be flexible enough to deal with different formulations. In this paper, we propose to make effective use of ASP as a modeling language for course timetabling. We show that our ASP-based approach can naturally satisfy the above requirements, through an ASP encoding of the curriculum-based course timetabling problem proposed in the third track of the second international timetabling competition (ITC-2007). Our encoding is compact and human-readable, since each constraint is individually expressed by either one or two rules. Each hard constraint is expressed by using integrity constraints and aggregates of ASP. Each soft constraint S is expressed by rules in which the head is the form of penalty (S, V, C), and a violation V and its penalty cost C are detected and calculated respectively in the body. We carried out experiments on four different benchmark sets with five different formulations. We succeeded either in improving the bounds or producing the same bounds for many combinations of problem instances and formulations, compared with the previous best known bounds.
Die Expansion des renalen Tubulointerstitiums aufgrund einer Akkumulation zellulärer Bestandteile und extrazellulärer Matrix ist eine charakteristische Eigenschaft der chronischen Nierenerkrankung (CKD) und führt zu einer Progression der Erkrankung in Richtung eines terminalen Nierenversagens. Die Fibroblasten Proliferation und ihre Transformation hin zum sekretorischen Myofibroblasten-Phänotyp stellen hierbei Schlüsselereignisse dar. Signalprozesse, die zur Induktion der Myofibroblasten führen, werden aktiv beforscht um anti-fibrotische Therapieansätze zu identifizieren. Das anti-inflammatorische Protein Annexin A1 und sein Rezeptor Formyl-Peptid Rezeptor 2 (FPR2) wurden in verschiedenen Organsystemen mit der Regulation von Fibroblastenaktivität in Verbindung gebracht, jedoch wurden ihre Expression und Funktion bei renalen fibrotischen Erkrankungen bisher nicht untersucht. Ziel der aktuellen Studie war daher die Untersuchung der renalen Annexin A1- und FPR2-Expression in einem Tiermodell des chronischen Nierenversagens, sowie die Charakterisierung der funktionellen Rolle von Annexin A1 in der Regulation des Fibroblasten Phänotyps und ihrer Syntheseleistung. Dazu wurden neugeborene Sprague-Dawley Ratten in den ersten zwei Wochen ihres Lebens entweder mit Vehikel oder mit einem Angiotensin II Typ I Rezeptor Antagonisten behandelt und ohne weitere Intervention bis zu einem Alter von 11 Monaten (CKD Ratten) gehalten. Die Regulation und Lokalisation von Annexin A1 und FPR2 wurden mit Hilfe von Real-Time PCR und Immunhistochemie erfasst. Annexin A1- und FPR2-exprimierende Zellen wurden weiter durch Doppelimmunfluoreszenzfärbungen charakterisiert. Gefärbt wurde mit Antikörpern gegen endotheliale Zellen (rat endothelial cell antigen), Makrophagen (CD 68), Fibroblasten (CD73) und Myofibroblasten (alpha-smooth muscle actin (α-sma)). Zellkulturstudien wurden an immortalisierten renalen kortikalen Fibroblasten aus Wildtyp- und Annexin A1-defizienten Mäusen, sowie an etablierten humanen und murinen renalen Fibrolasten durchgeführt. Eine Überexpression von Annexin A1 wurde durch eine stabile Transfektion erreicht. Die Expression von Annexin A1, α-sma und Kollagen 1α1 wurde durch Real-Time PCR, Western Blot und Immuhistochemie erfasst. Die Sekretion des Annexin A1 Proteins wurde nach TCA-Fällung des Zellkulturüberstandes im Western Blot untersucht. Wie zu erwarten zeigten die CKD Ratten eine geringere Anzahl an Nephronen mit deutlicher glomerulären Hypertrophie. Der tubulointerstitielle Raum war durch fibrilläres Kollagen, aktivierte Fibroblasten und inflammatorische Zellen expandiert. Parallel dazu war die mRNA Expression von Annexin A1 und Transforming growth factor beta (TGF-β) signifikant erhöht. Die Annexin A1-Lokalisation mittels Doppelimmunfluorsezenz identifizierte eine große Anzahl von CD73-positiven kortikalen Fibroblasten und eine Subpopulation von Makrophagen als Annexin A1-positiv. Die Annexin A1-Menge in Myofibroblasten und renalen Endothelien war gering. FPR2 konnte in der Mehrzahl der renalen Fibroblasten, in Myofibroblasten, in einer Subpopulation von Makrophagen und in renalen Epithelzellen nachgewiesen werden. Eine Behandlung der murinen Fibroblasten mit dem pro-fibrotischen Zytokin TGF-β führte zu einem parallelen Anstieg der α-sma-, Kollagen 1α1- und Annexin A1-Biosynthese und zu einer gesteigerten Sekretion von Annexin A1. Eine Überexpression von Annexin A1 in murinen Fibroblasten reduzierte das Ausmaß der TGF-β induzierten α-sma- und Kollagen 1α1-Biosynthese. Fibroblasten aus Annexin A1-defizienten Mäusen zeigten einen starken Myofibroblasten-Phänotyp mit einer gesteigerten Expression an α-sma und Kollagen 1α1. Der Einsatz eines Peptidantagonisten des FPR2 (WRW4) resultierte in einer Stimulation der α-sma-Biosynthese, was die Vermutung nahe legte, dass Annexin A1 FPR2-vermittelt anti-fibrotische Effekte hat. Zusammenfassend zeigen diese Ergebnisse, dass renale kortikale Fibroblasten eine Hauptquelle des Annexin A1 im renalen Interstitium und einen Ansatzpunkt für Annexin A1-Signalwege in der Niere darstellen. Das Annexin A1/FPR2-System könnte daher eine wichtige Rolle in der Kontrolle des Fibroblasten Phänotyp und der Fibroblasten Aktivität spielen und daher einen neuen Ansatz für die anti-fibrotischen pharmakologischen Strategien in der Behandlung des CKD darstellen.
For the first time the transcriptional reprogramming of distinct root cortex cells during the arbuscular mycorrhizal (AM) symbiosis was investigated by combining Laser Capture Mirodissection and Affymetrix GeneChip® Medicago genome array hybridization. The establishment of cryosections facilitated the isolation of high quality RNA in sufficient amounts from three different cortical cell types. The transcript profiles of arbuscule-containing cells (arb cells), non-arbuscule-containing cells (nac cells) of Rhizophagus irregularis inoculated Medicago truncatula roots and cortex cells of non-inoculated roots (cor) were successfully explored. The data gave new insights in the symbiosis-related cellular reorganization processes and indicated that already nac cells seem to be prepared for the upcoming fungal colonization. The mycorrhizal- and phosphate-dependent transcription of a GRAS TF family member (MtGras8) was detected in arb cells and mycorrhizal roots. MtGRAS shares a high sequence similarity to a GRAS TF suggested to be involved in the fungal colonization processes (MtRAM1). The function of MtGras8 was unraveled upon RNA interference- (RNAi-) mediated gene silencing. An AM symbiosis-dependent expression of a RNAi construct (MtPt4pro::gras8-RNAi) revealed a successful gene silencing of MtGras8 leading to a reduced arbuscule abundance and a higher proportion of deformed arbuscules in root with reduced transcript levels. Accordingly, MtGras8 might control the arbuscule development and life-time. The targeting of MtGras8 by the phosphate-dependent regulated miRNA5204* was discovered previously (Devers et al., 2011). Since miRNA5204* is known to be affected by phosphate, the posttranscriptional regulation might represent a link between phosphate signaling and arbuscule development. In this work, the posttranscriptional regulation was confirmed by mis-expression of miRNA5204* in M. truncatula roots. The miRNA-mediated gene silencing affects the MtGras8 transcript abundance only in the first two weeks of the AM symbiosis and the mis-expression lines seem to mimic the phenotype of MtGras8-RNAi lines. Additionally, MtGRAS8 seems to form heterodimers with NSP2 and RAM1, which are known to be key regulators of the fungal colonization process (Hirsch et al., 2009; Gobbato et al., 2012). These data indicate that MtGras8 and miRNA5204* are linked to the sym pathway and regulate the arbuscule development in phosphate-dependent manner.
Water management and environmental protection is vulnerable to extreme low flows during streamflow droughts. During the last decades, in most rivers of Central Europe summer runoff and low flows have decreased. Discharge projections agree that future decrease in runoff is likely for catchments in Brandenburg, Germany. Depending on the first-order controls on low flows, different adaption measures are expected to be appropriate. Small catchments were analyzed because they are expected to be more vulnerable to a changing climate than larger rivers. They are mainly headwater catchments with smaller ground water storage. Local characteristics are more important at this scale and can increase vulnerability. This thesis mutually evaluates potential adaption measures to sustain minimum runoff in small catchments of Brandenburg, Germany, and similarities of these catchments regarding low flows. The following guiding questions are addressed: (i) Which first-order controls on low flows and related time scales exist? (ii) Which are the differences between small catchments regarding low flow vulnerability? (iii) Which adaption measures to sustain minimum runoff in small catchments of Brandenburg are appropriate considering regional low flow patterns? Potential adaption measures to sustain minimum runoff during periods of low flows can be classified into three categories: (i) increase of groundwater recharge and subsequent baseflow by land use change, land management and artificial ground water recharge, (ii) increase of water storage with regulated outflow by reservoirs, lakes and wetland water management and (iii) regional low flow patterns have to be considered during planning of measures with multiple purposes (urban water management, waste water recycling and inter-basin water transfer). The question remained whether water management of areas with shallow groundwater tables can efficiently sustain minimum runoff. Exemplary, water management scenarios of a ditch irrigated area were evaluated using the model Hydrus-2D. Increasing antecedent water levels and stopping ditch irrigation during periods of low flows increased fluxes from the pasture to the stream, but storage was depleted faster during the summer months due to higher evapotranspiration. Fluxes from this approx. 1 km long pasture with an area of approx. 13 ha ranged from 0.3 to 0.7 l\s depending on scenario. This demonstrates that numerous of such small decentralized measures are necessary to sustain minimum runoff in meso-scale catchments. Differences in the low flow risk of catchments and meteorological low flow predictors were analyzed. A principal component analysis was applied on daily discharge of 37 catchments between 1991 and 2006. Flows decreased more in Southeast Brandenburg according to meteorological forcing. Low flow risk was highest in a region east of Berlin because of intersection of a more continental climate and the specific geohydrology. In these catchments, flows decreased faster during summer and the low flow period was prolonged. A non-linear support vector machine regression was applied to iteratively select meteorological predictors for annual 30-day minimum runoff in 16 catchments between 1965 and 2006. The potential evapotranspiration sum of the previous 48 months was the most important predictor (r²=0.28). The potential evapotranspiration of the previous 3 months and the precipitation of the previous 3 months and last year increased model performance (r²=0.49, including all four predictors). Model performance was higher for catchments with low yield and more damped runoff. In catchments with high low flow risk, explanatory power of long term potential evapotranspiration was high. Catchments with a high low flow risk as well as catchments with a considerable decrease in flows in southeast Brandenburg have the highest demand for adaption. Measures increasing groundwater recharge are to be preferred. Catchments with high low flow risk showed relatively deep and decreasing groundwater heads allowing increased groundwater recharge at recharge areas with higher altitude away from the streams. Low flows are expected to stay low or decrease even further because long term potential evapotranspiration was the most important low flow predictor and is projected to increase during climate change. Differences in low flow risk and runoff dynamics between catchments have to be considered for management and planning of measures which do not only have the task to sustain minimum runoff.
The habilitation thesis covers theoretical investigations on light-induced processes in molecules. The study is focussed on changes of the molecular electronic structure and geometry, caused either by photoexcitation in the event of a spectroscopic analysis, or by a selective control with shaped laser pulses. The applied and developed methods are predominantly based on quantum chemistry as well as on electron and nuclear quantum dynamics, and in parts on molecular dynamics. The studied scientific problems deal with stereoisomerism and the question of how to either switch or distinguish chiral molecules using laser pulses, and with the essentials for the simulation of the spectroscopic response of biochromophores, in order to unravel their photophysics. The accomplished findings not only explain experimental results and extend existing approaches, but also contribute significantly to the basic understanding of the investigated light-driven molecular processes. The main achievements can be divided in three parts: First, a quantum theory for an enantio- and diastereoselective or, in general, stereoselective laser pulse control was developed and successfully applied to influence the chirality of molecular switches. The proposed axially chiral molecules possess different numbers of "switchable" stable chiral conformations, with one particular switch featuring even a true achiral "off"-state which allows to enantioselectively "turn on" its chirality. Furthermore, surface mounted chiral molecular switches with several well-defined orientations were treated, where a newly devised highly flexible stochastic pulse optimization technique provides high stereoselectivity and efficiency at the same time, even for coupled chirality-changing degrees of freedom. Despite the model character of these studies, the proposed types of chiral molecular switches and, all the more, the developed basic concepts are generally applicable to design laser pulse controlled catalysts for asymmetric synthesis, or to achieve selective changes in the chirality of liquid crystals or in chiroptical nanodevices, implementable in information processing or as data storage. Second, laser-driven electron wavepacket dynamics based on ab initio calculations, namely time-dependent configuration interaction, was extended by the explicit inclusion of magnetic field-magnetic dipole interactions for the simulation of the qualitative and quantitative distinction of enantiomers in mass spectrometry by means of circularly polarized ultrashort laser pulses. The developed approach not only allows to explain the origin of the experimentally observed influence of the pulse duration on the detected circular dichroism in the ion yield, but also to predict laser pulse parameters for an optimal distinction of enantiomers by ultrashort shaped laser pulses. Moreover, these investigations in combination with the previous ones provide a fundamental understanding of the relevance of electric and magnetic interactions between linearly or non-linearly polarized laser pulses and (pro-)chiral molecules for either control by enantioselective excitation or distinction by enantiospecific excitation. Third, for selected light-sensitive biological systems of central importance, like e.g. antenna complexes of photosynthesis, simulations of processes which take place during and after photoexcitation of their chromophores were performed, in order to explain experimental (spectroscopic) findings as well as to understand the underlying photophysical and photochemical principles. In particular, aspects of normal mode mixing due to geometrical changes upon photoexcitation and their impact on (time-dependent) vibronic and resonance Raman spectra, as well as on intramolecular energy redistribution were addressed. In order to explain unresolved experimental findings, a simulation program for the calculation of vibronic and resonance Raman spectra, accounting for changes in both vibrational frequencies and normal modes, was created based on a time-dependent formalism. In addition, the influence of the biochemical environment on the electronic structure of the chromophores was studied by electrostatic interactions and mechanical embedding using hybrid quantum-classical methods. Environmental effects were found to be of importance, in particular, for the excitonic coupling of chromophores in light-harvesting complex II. Although the simulations for such highly complex systems are still restricted by various approximations, the improved approaches and obtained results have proven to be important contributions for a better understanding of light-induced processes in biosystems which also adds to efforts of their artificial reproduction.