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This thesis discusses challenges in IT security education, points out a gap between e-learning and practical education, and presents a work to fill the gap. E-learning is a flexible and personalized alternative to traditional education. Nonetheless, existing e-learning systems for IT security education have difficulties in delivering hands-on experience because of the lack of proximity. Laboratory environments and practical exercises are indispensable instruction tools to IT security education, but security education in conventional computer laboratories poses particular problems such as immobility as well as high creation and maintenance costs. Hence, there is a need to effectively transform security laboratories and practical exercises into e-learning forms. In this thesis, we introduce the Tele-Lab IT-Security architecture that allows students not only to learn IT security principles, but also to gain hands-on security experience by exercises in an online laboratory environment. In this architecture, virtual machines are used to provide safe user work environments instead of real computers. Thus, traditional laboratory environments can be cloned onto the Internet by software, which increases accessibility to laboratory resources and greatly reduces investment and maintenance costs. Under the Tele-Lab IT-Security framework, a set of technical solutions is also proposed to provide effective functionalities, reliability, security, and performance. The virtual machines with appropriate resource allocation, software installation, and system configurations are used to build lightweight security laboratories on a hosting computer. Reliability and availability of laboratory platforms are covered by a virtual machine management framework. This management framework provides necessary monitoring and administration services to detect and recover critical failures of virtual machines at run time. Considering the risk that virtual machines can be misused for compromising production networks, we present a security management solution to prevent the misuse of laboratory resources by security isolation at the system and network levels. This work is an attempt to bridge the gap between e-learning/tele-teaching and practical IT security education. It is not to substitute conventional teaching in laboratories but to add practical features to e-learning. This thesis demonstrates the possibility to implement hands-on security laboratories on the Internet reliably, securely, and economically.
The layer-by-layer assembly (LBL) of polyelectrolytes has been extensively studied for the preparation of ultrathin films due to the versatility of the build-up process. The control of the permeability of these layers is particularly important as there are potential drug delivery applications. Multilayered polyelectrolyte microcapsules are also of great interest due to their possible use as microcontainers. This work will present two methods that can be used as employable drug delivery systems, both of which can encapsulate an active molecule and tune the release properties of the active species. Poly-(N-isopropyl acrylamide), (PNIPAM) is known to be a thermo-sensitive polymer that has a Lower Critical Solution Temperature (LCST) around 32oC; above this temperature PNIPAM is insoluble in water and collapses. It is also known that with the addition of salt, the LCST decreases. This work shows Differential Scanning Calorimetry (DSC) and Confocal Laser Scanning Microscopy (CLSM) evidence that the LCST of the PNIPAM can be tuned with salt type and concentration. Microcapsules were used to encapsulate this thermo-sensitive polymer, resulting in a reversible and tunable stimuli- responsive system. The encapsulation of the PNIPAM inside of the capsule was proven with Raman spectroscopy, DSC (bulk LCST measurements), AFM (thickness change), SEM (morphology change) and CLSM (in situ LCST measurement inside of the capsules). The exploitation of the capsules as a microcontainer is advantageous not only because of the protection the capsules give to the active molecules, but also because it facilitates easier transport. The second system investigated demonstrates the ability to reduce the permeability of polyelectrolyte multilayer films by the addition of charged wax particles. The incorporation of this hydrophobic coating leads to a reduced water sensitivity particularly after heating, which melts the wax, forming a barrier layer. This conclusion was proven with Neutron Reflectivity by showing the decreased presence of D2O in planar polyelectrolyte films after annealing creating a barrier layer. The permeability of capsules could also be decreased by the addition of a wax layer. This was proved by the increase in recovery time measured by Florescence Recovery After Photobleaching, (FRAP) measurements. In general two advanced methods, potentially suitable for drug delivery systems, have been proposed. In both cases, if biocompatible elements are used to fabricate the capsule wall, these systems provide a stable method of encapsulating active molecules. Stable encapsulation coupled with the ability to tune the wall thickness gives the ability to control the release profile of the molecule of interest.
Collisions of black holes and neutron stars, named mixed binaries in the following, are interesting because of at least two reasons. Firstly, it is expected that they emit a large amount of energy as gravitational waves, which could be measured by new detectors. The form of those waves is expected to carry information about the internal structure of such systems. Secondly, collisions of such objects are the prime suspects of short gamma ray bursts. The exact mechanism for the energy emission is unknown so far. In the past, Newtonian theory of gravitation and modifications to it were often used for numerical simulations of collisions of mixed binary systems. However, near to such objects, the gravitational forces are so strong, that the use of General Relativity is necessary for accurate predictions. There are a lot of problems in general relativistic simulations. However, systems of two neutron stars and systems of two black holes have been studies extensively in the past and a lot of those problems have been solved. One of the remaining problems so far has been the use of hydrodynamic on excision boundaries. Inside excision regions, no evolution is carried out. Such regions are often used inside black holes to circumvent instabilities of the numerical methods near the singularity. Methods to handle hydrodynamics at such boundaries have been described and tests are shown in this work. One important test and the first application of those methods has been the simulation of a collapsing neutron star to a black hole. The success of these simulations and in particular the performance of the excision methods was an important step towards simulations of mixed binaries. Initial data are necessary for every numerical simulation. However, the creation of such initial data for general relativistic situations is in general very complicated. In this work it is shown how to obtain initial data for mixed binary systems using an already existing method for initial data of two black holes. These initial data have been used for evolutions of such systems and problems encountered are discussed in this work. One of the problems are instabilities due to different methods, which could be solved by dissipation of appropriate strength. Another problem is the expected drift of the black hole towards the neutron star. It is shown, that this can be solved by using special gauge conditions, which prevent the black hole from moving on the computational grid. The methods and simulations shown in this work are only the starting step for a much more detailed study of mixed binary system. Better methods, models and simulations with higher resolution and even better gauge conditions will be focus of future work. It is expected that such detailed studies can give information about the emitted gravitational waves, which is important in view of the newly built gravitational wave detectors. In addition, these simulations could give insight into the processes responsible for short gamma ray bursts.
With increasing number of applications in Internet and mobile environments, distributed software systems are demanded to be more powerful and flexible, especially in terms of dynamism and security. This dissertation describes my work concerning three aspects: dynamic reconfiguration of component software, security control on middleware applications, and web services dynamic composition. Firstly, I proposed a technology named Routing Based Workflow (RBW) to model the execution and management of collaborative components and realize temporary binding for component instances. The temporary binding means component instances are temporarily loaded into a created execution environment to execute their functions, and then are released to their repository after executions. The temporary binding allows to create an idle execution environment for all collaborative components, on which the change operations can be immediately carried out. The changes on execution environment will result in a new collaboration of all involved components, and also greatly simplifies the classical issues arising from dynamic changes, such as consistency preserving etc. To demonstrate the feasibility of RBW, I created a dynamic secure middleware system - the Smart Data Server Version 3.0 (SDS3). In SDS3, an open source implementation of CORBA is adopted and modified as the communication infrastructure, and three secure components managed by RBW, are created to enhance the security on the access of deployed applications. SDS3 offers multi-level security control on its applications from strategy control to application-specific detail control. For the management by RBW, the strategy control of SDS3 applications could be dynamically changed by reorganizing the collaboration of the three secure components. In addition, I created the Dynamic Services Composer (DSC) based on Apache open source projects, Apache Axis and WSIF. In DSC, RBW is employed to model the interaction and collaboration of web services and to enable the dynamic changes on the flow structure of web services. Finally, overall performance tests were made to evaluate the efficiency of the developed RBW and SDS3. The results demonstrated that temporary binding of component instances makes slight impacts on the execution efficiency of components, and the blackout time arising from dynamic changes can be extremely reduced in any applications.
The goal of a Brain-Computer Interface (BCI) consists of the development of a unidirectional interface between a human and a computer to allow control of a device only via brain signals. While the BCI systems of almost all other groups require the user to be trained over several weeks or even months, the group of Prof. Dr. Klaus-Robert Müller in Berlin and Potsdam, which I belong to, was one of the first research groups in this field which used machine learning techniques on a large scale. The adaptivity of the processing system to the individual brain patterns of the subject confers huge advantages for the user. Thus BCI research is considered a hot topic in machine learning and computer science. It requires interdisciplinary cooperation between disparate fields such as neuroscience, since only by combining machine learning and signal processing techniques based on neurophysiological knowledge will the largest progress be made. In this work I particularly deal with my part of this project, which lies mainly in the area of computer science. I have considered the following three main points: <b>Establishing a performance measure based on information theory:</b> I have critically illuminated the assumptions of Shannon's information transfer rate for application in a BCI context. By establishing suitable coding strategies I was able to show that this theoretical measure approximates quite well to what is practically achieveable. <b>Transfer and development of suitable signal processing and machine learning techniques:</b> One substantial component of my work was to develop several machine learning and signal processing algorithms to improve the efficiency of a BCI. Based on the neurophysiological knowledge that several independent EEG features can be observed for some mental states, I have developed a method for combining different and maybe independent features which improved performance. In some cases the performance of the combination algorithm outperforms the best single performance by more than 50 %. Furthermore, I have theoretically and practically addressed via the development of suitable algorithms the question of the optimal number of classes which should be used for a BCI. It transpired that with BCI performances reported so far, three or four different mental states are optimal. For another extension I have combined ideas from signal processing with those of machine learning since a high gain can be achieved if the temporal filtering, i.e., the choice of frequency bands, is automatically adapted to each subject individually. <b>Implementation of the Berlin brain computer interface and realization of suitable experiments:</b> Finally a further substantial component of my work was to realize an online BCI system which includes the developed methods, but is also flexible enough to allow the simple realization of new algorithms and ideas. So far, bitrates of up to 40 bits per minute have been achieved with this system by absolutely untrained users which, compared to results of other groups, is highly successful.
In silico identification of genes regulated by abscisic acid in Arabidopsis thaliana (L.) Heynh.
(2005)
Abscisic acid (ABA) is a major plant hormone that plays an important role during plant growth and development. During vegetative growth ABA mediates (in part) responses to various environmental stresses such as cold, drought and high salinity. The response triggered by ABA includes changes in the transcript level of genes involved in stress tolerance. The aim of this project was the In silico identification of genes putatively regulated by ABA in A. thaliana. In silico predictions were combined with experimental data in order to evaluate the reliability of computational predictions. Taking advantage of the genome sequence of A. thaliana publicly available since 2000, 1 kb upstream sequences were screened for combinations of cis-elements known to be involved in the regulation of ABA-responsive genes. It was found that around 10 to 20 percent of the genes of A. thaliana might be regulated by ABA. Further analyses of the predictions revealed that certain combinations of cis-elements that confer ABA-responsiveness were significantly over-represented compared with results in random sequences and with random expectations. In addition, it was observed that other combinations that confer ABA-responsiveness in monocotyledonous species might not be functional in A. thaliana. It is proposed that ABA-responsive genes in A. thaliana show pairs of ABRE (abscisic acid responsive element) with MYB binding sites, DRE (dehydration responsive element) or with itself. The analysis of the distances between pairs of cis-elements suggested that pairs of ABREs are bound by homodimers of ABRE binding proteins. In contrast, pairs between MYB binding sites and ABRE, or DRE and ABRE showed a distance between cis-elements that suggested that the binding proteins interact through protein complexes and not directly. The comparison of computational predictions with experimental data confirmed that the regulatory mechanisms leading to the induction or repression of genes by ABA is very incompletely understood. It became evident that besides the cis-elements proposed in this study to be present in ABA-responsive genes, other known and unknown cis-elements might play an important role in the transcriptional regulation of ABA-responsive genes. For example, auxin-related cis elements, or the cis-elements recognized by the NAM-family of transcription factors (Non-Apical meristem). This work documents the use of computational and experimental approaches to analyse possible interactions between cis-elements involved in the regulation of ABA-responsive genes. The computational predictions allowed the distinction between putatively relevant combinations of cis-elements from irrelevant combinations of cis-elements in ABA-responsive genes. The comparison with experimental data allowed to identify certain cis-elements that have not been previously associated to the ABA-mediated transcriptional regulation, but that might be present in ABA-responsive genes (e.g. auxin responsive elements). Moreover, the efforts to unravel the gene regulatory network associated with the ABA-signalling pathway revealed that NAM-transcription factors and their corresponding binding sequences are important components of this network.
The advent of large-scale and high-throughput technologies has recently caused a shift in focus in contemporary biology from decades of reductionism towards a more systemic view. Alongside the availability of genome sequences the exploration of organisms utilizing such approach should give rise to a more comprehensive understanding of complex systems. Domestication and intensive breeding of crop plants has led to a parallel narrowing of their genetic basis. The potential to improve crops by conventional breeding using elite cultivars is therefore rather limited and molecular technologies, such as marker assisted selection (MAS) are currently being exploited to re-introduce allelic variance from wild species. Molecular breeding strategies have mostly focused on the introduction of yield or resistance related traits to date. However given that medical research has highlighted the importance of crop compositional quality in the human diet this research field is rapidly becoming more important. Chemical composition of biological tissues can be efficiently assessed by metabolite profiling techniques, which allow the multivariate detection of metabolites of a given biological sample. Here, a GC/MS metabolite profiling approach has been applied to investigate natural variation of tomatoes with respect to the chemical composition of their fruits. The establishment of a mass spectral and retention index (MSRI) library was a prerequisite for this work in order to establish a framework for the identification of metabolites from a complex mixture. As mass spectral and retention index information is highly important for the metabolomics community this library was made publicly available. Metabolite profiling of tomato wild species revealed large differences in the chemical composition, especially of amino and organic acids, as well as on the sugar composition and secondary metabolites. Intriguingly, the analysis of a set of S. pennellii introgression lines (IL) identified 889 quantitative trait loci of compositional quality and 326 yield-associated traits. These traits are characterized by increases/decreases not only of single metabolites but also of entire metabolic pathways, thus highlighting the potential of this approach in uncovering novel aspects of metabolic regulation. Finally the biosynthetic pathway of the phenylalanine-derived fruit volatiles phenylethanol and phenylacetaldehyde was elucidated via a combination of metabolic profiling of natural variation, stable isotope tracer experiments and reverse genetic experimentation.
We investigate the rotational and thermal properties of star-forming molecular clouds using hydrodynamic simulations. Stars form from molecular cloud cores by gravoturbulent fragmentation. Understanding the angular momentum and the thermal evolution of cloud cores thus plays a fundamental role in completing the theoretical picture of star formation. This is true not only for current star formation as observed in regions like the Orion nebula or the ρ-Ophiuchi molecular cloud but also for the formation of stars of the first or second generation in the universe. In this thesis we show how the angular momentum of prestellar and protostellar cores evolves and compare our results with observed quantities. The specific angular momentum of prestellar cores in our models agree remarkably well with observations of cloud cores. Some prestellar cores go into collapse to build up stars and stellar systems. The resulting protostellar objects have specific angular momenta that fall into the range of observed binaries. We find that collapse induced by gravoturbulent fragmentation is accompanied by a substantial loss of specific angular momentum. This eases the "angular momentum problem" in star formation even in the absence of magnetic fields. The distribution of stellar masses at birth (the initial mass function, IMF) is another aspect that any theory of star formation must explain. We focus on the influence of the thermodynamic properties of star-forming gas and address this issue by studying the effects of a piecewise polytropic equation of state on the formation of stellar clusters. We increase the polytropic exponent γ from a value below unity to a value above unity at a certain critical density. The change of the thermodynamic state at the critical density selects a characteristic mass scale for fragmentation, which we relate to the peak of the IMF observed in the solar neighborhood. Our investigation generally supports the idea that the distribution of stellar masses depends mainly on the thermodynamic state of the gas. A common assumption is that the chemical evolution of the star-forming gas can be decoupled from its dynamical evolution, with the former never affecting the latter. Although justified in some circumstances, this assumption is not true in every case. In particular, in low-metallicity gas the timescales for reaching the chemical equilibrium are comparable or larger than the dynamical timescales. In this thesis we take a first approach to combine a chemical network with a hydrodynamical code in order to study the influence of low levels of metal enrichment on the cooling and collapse of ionized gas in small protogalactic halos. Our initial conditions represent protogalaxies forming within a fossil HII region -- a previously ionized HII region which has not yet had time to cool and recombine. We show that in these regions, H2 is the dominant and most effective coolant, and that it is the amount of H2 formed that controls whether or not the gas can collapse and form stars. For metallicities Z <= 10<sup>-3 Zsun, metal line cooling alters the density and temperature evolution of the gas by less than 1% compared to the metal-free case at densities below 1 cm<sup>-3 and temperatures above 2000 K. We also find that an external ultraviolet background delays or suppresses the cooling and collapse of the gas regardless of whether it is metal-enriched or not. Finally, we study the dependence of this process on redshift and mass of the dark matter halo.
Stars are born in turbulent molecular clouds that fragment and collapse under the influence of their own gravity, forming a cluster of hundred or more stars. The star formation process is controlled by the interplay between supersonic turbulence and gravity. In this work, the properties of stellar clusters created by numerical simulations of gravoturbulent fragmentation are compared to those from observations. This includes the analysis of properties of individual protostars as well as statistical properties of the entire cluster. It is demonstrated that protostellar mass accretion is a highly dynamical and time-variant process. The peak accretion rate is reached shortly after the formation of the protostellar core. It is about one order of magnitude higher than the constant accretion rate predicted by the collapse of a classical singular isothermal sphere, in agreement with the observations. For a more reasonable comparison, the model accretion rates are converted to the observables bolometric temperature, bolometric luminosity, and envelope mass. The accretion rates from the simulations are used as input for an evolutionary scheme. The resulting distribution in the Tbol-Lbol-Menv parameter space is then compared to observational data by means of a 3D Kolmogorov-Smirnov test. The highest probability found that the distributions of model tracks and observational data points are drawn from the same population is 70%. The ratios of objects belonging to different evolutionary classes in observed star-forming clusters are compared to the temporal evolution of the gravoturbulent models in order to estimate the evolutionary stage of a cluster. While it is difficult to estimate absolute ages, the realtive numbers of young stars reveal the evolutionary status of a cluster with respect to other clusters. The sequence shows Serpens as the youngest and IC 348 as the most evolved of the investigated clusters. Finally the structures of young star clusters are investigated by applying different statistical methods like the normalised mean correlation length and the minimum spanning tree technique and by a newly defined measure for the cluster elongation. The clustering parameters of the model clusters correspond in many cases well to those from observed ones. The temporal evolution of the clustering parameters shows that the star cluster builds up from several subclusters and evolves to a more centrally concentrated cluster, while the cluster expands slower than new stars are formed.
We analyze the asymptotic behavior in the limit epsilon to zero for a wide class of difference operators H_epsilon = T_epsilon + V_epsilon with underlying multi-well potential. They act on the square summable functions on the lattice (epsilon Z)^d. We start showing the validity of an harmonic approximation and construct WKB-solutions at the wells. Then we construct a Finslerian distance d induced by H and show that short integral curves are geodesics and d gives the rate for the exponential decay of Dirichlet eigenfunctions. In terms of this distance, we give sharp estimates for the interaction between the wells and construct the interaction matrix.
Ultrathin, semi-permeable membranes are not only essential in natural systems (membranes of cells or organelles) but they are also important for applications (separation, filtering) in miniaturized devices. Membranes, integrated as diffusion barriers or filters in micron scale devices need to fulfill equivalent requirements as the natural systems, in particular mechanical stability and functionality (e.g. permeability), while being only tens of nm in thickness to allow fast diffusion times. Promising candidates for such membranes are polyelectrolyte multilayers, which were found to be mechanically stable, and variable in functionality. In this thesis two concepts to integrate such membranes in larger scale structures were developed. The first is based on the directed adhesion of polyelectrolyte hollow microcapsules. As a result, arrays of capsules were created. These can be useful for combinatorial chemistry or sensing. This concept was expanded to couple encapsulated living cells to the surface. The second concept is the transfer of flat freestanding multilayer membranes to structured surfaces. We have developed a method that allows us to couple mm2 areas of defect free film with thicknesses down to 50 nm to structured surfaces and to avoid crumpling of the membrane. We could again use this technique to produce arrays of micron size. The freestanding membrane is a diffusion barrier for high molecular weight molecules, while small molecules can pass through the membrane and thus allows us to sense solution properties. We have shown also that osmotic pressures lead to membrane deflection. That could be described quantitatively.
One of the most difficult issues when dealing with optical water remote-sensing is its acceptance as a useful application for environmental research. This problem is, on the one hand, concerned with the optical complexity and variability of the investigated natural media, and therefore the question arises as to the plausibility of the parameters derived from remote-sensing techniques. Detailed knowledge about the regional bio- and chemico-optical properties is required for such studies, however such information is seldom available for the sites of interest. On the other hand, the primary advantage of remote-sensing information, which is the provision of a spatial overview, may not be exploited fully by the disciplines that would benefit most from such information. It is often seen in a variety of disciplines that scientists have been primarily trained to look at discrete data sets, and therefore have no experience of incorporating information dealing with spatial heterogeneity. In this thesis, the opportunity was made available to assess the potential of Ocean Colour data to provide spatial and seasonal information about the surface waters of Lake Baikal (Siberia). While discrete limnological field data is available, the spatial extension of Lake Baikal is enormous (ca. 600 km), while the field data are limited to selected sites and expedition time windows. Therefore, this remote-sensing investigation aimed to support a multi-disciplinary limnological investigation within the framework of the paleoclimate EU-project ‘High Resolution CONTINENTal Paleoclimate Record in Lake Baikal, Siberia (CONTINENT)’ using spatial and seasonal information from the SeaWiFS satellite (NASA). From this, the SeaWiFS study evolved to become the first efficient bio-optical satellite study of Lake Baikal. During the course of three years, field work including spectral field measurements and water sampling, was carried out at Lake Baikal in Southern Siberia, and at the Mecklenburg and Brandenburg lake districts in Germany. The first step in processing the SeaWiFS satellite data involved adapting the SeaDAS (NASA) atmospheric-correction processing to match as close as possible the specific conditions of Lake Baikal. Next, various Chl-a algorithms were tested on the atmospherically-corrected optimized SeaWiFS data set (years 2001 to 2002), comparing the CONTINENT pigment ground-truth data with the Chl-a concentrations derived from the satellite data. This showed the high performance of the global Chl-a products OC2 and OC4 for the oligotrophic, transparent waters (bio-optical Case 1) of Lake Baikal. However, considerable Chl-a overestimation prevailed in bio-optical Case 2 areas for the case of discharge events. High-organic terrigenous input into Lake Baikal could be traced and information extracted using the SeaWiFS spectral data. Suspended Particulate Matter (SPM) was quantified by the regression of the SeaDAS attenuation coefficient as the optical parameter with SPM field data. Finally, the Chl-a and terrigenous input maps derived from the remote sensing data were used to assist with analyzing the relationships between the various discrete data obtained during the CONTINENT field work. Hence, plausible spatial and seasonal information describing autochthonous and allochthonous material in Lake Baikal could be provided by satellite data.Lake Baikal, with its bio-optical complexity and its different areas of Case 1 and Case 2 waters, is a very interesting case study for Ocean Colour analyses. Proposals for future Ocean Colour studies of Lake Baikal are discussed, including which bio-optical parameters for analytical models still need to be clarified by field investigations.
From its first use in the field of biochemistry, instrumental analysis offered a variety of invaluable tools for the comprehensive description of biological systems. Multi-selective methods that aim to cover as many endogenous compounds as possible in biological samples use different analytical platforms and include methods like gene expression profile and metabolite profile analysis. The enormous amount of data generated in application of profiling methods needs to be evaluated in a manner appropriate to the question under investigation. The new field of system biology rises to the challenge to develop strategies for collecting, processing, interpreting, and archiving this vast amount of data; to make those data available in form of databases, tools, models, and networks to the scientific community. On the background of this development a multi-selective method for the determination of phytohormones was developed and optimised, complementing the profile analyses which are already in use (Chapter I). The general feasibility of a simultaneous analysis of plant metabolites and phytohormones in one sample set-up was tested by studies on the analytical robustness of the metabolite profiling protocol. The recovery of plant metabolites proved to be satisfactory robust against variations in the extraction protocol by using common extraction procedures for phytohormones; a joint extraction of metabolites and hormones from plant tissue seems practicable (Chapter II). Quantification of compounds within the context of profiling methods requires particular scrutiny (Chapter II). In Chapter III, the potential of stable-isotope in vivo labelling as normalisation strategy for profiling data acquired with mass spectrometry is discussed. First promising results were obtained for a reproducible quantification by stable-isotope in vivo labelling, which was applied in metabolomic studies. In-parallel application of metabolite and phytohormone analysis to seedlings of the model plant Arabidopsis thaliana exposed to sulfate limitation was used to investigate the relationship between the endogenous concentration of signal elements and the ‘metabolic phenotype’ of a plant. An automated evaluation strategy was developed to process data of compounds with diverse physiological nature, such as signal elements, genes and metabolites – all which act in vivo in a conditional, time-resolved manner (Chapter IV). Final data analysis focussed on conditionality of signal-metabolome interactions.
This thesis studies strong, completely charged polyelectrolyte brushes. Extensive molecular dynamics simulations are performed on different polyelectrolyte brush systems using local compute servers and massively parallel supercomputers. The full Coulomb interaction of charged monomers, counterions, and salt ions is treated explicitly. The polymer chains are anchored by one of their ends to a uncharged planar surface. The chains are treated under good solvent conditions. Monovalent salt ions (1:1 type) are modelled same as counterions. The studies concentrate on three different brush systems at constant temperature and moderate Coulomb interaction strength (Bjerrum length equal to bond length): The first system consists of a single polyelectrolyte brush anchored with varying grafting density to a plane. Results show that chains are extended up to about 2/3 of their contour length. The brush thickness slightly grows with increasing anchoring density. This slight dependence of the brush height on grafting density is in contrast to the well known scaling result for the osmotic brush regime. That is why the result obtained by simulations has stimulated further development of theory as well as new experimental investigations on polyelectrolyte brushes. This observation can be understood on a semi-quantitative level using a simple scaling model that incorporates excluded volume effects in a free-volume formulation where an effective cross section is assigned to the polymer chain from where couterions are excluded. The resulting regime is called nonlinear osmotic brush regime. Recently this regime was also obtained in experiments. The second system studied consists of polyelectrolyte brushes with added salt in the nonlinear osmotic regime. Varying salt is an important parameter to tune the structure and properties of polyelectrolytes. Further motivation is due to a theoretical scaling prediction by Pincus for the salt dependence of brush thickness. In the high salt limit (salt concentration much larger than counterion concentration) the brush height is predicted to decrease with increasing external salt, but with a relatively weak power law showing an exponent -1/3. There is some experimental and theoretical work that confirms this prediction, but there are other results that are in contradiction. In such a situation simulations are performed to validate the theoretical prediction. The simulation result shows that brush thickness decreases with added salt, and indeed is in quite good agreement with the scaling prediction by Pincus. The relation between buffer concentration and the effective ion strength inside the brush at varying salt concentration is of interest both from theoretical as well as experimental point of view. The simulation result shows that mobile ions (counterions as well as salt) distribute nonhomogeneously inside and outside of the brush. To explain the relation between the internal ion concentration with the buffer concentration a Donnan equilibrium approach is employed. Modifying the Donnan approach by taking into account the self-volume of polyelectrolyte chains as indicated above, the simulation result can be explained using the same effective cross section for the polymer chains. The extended Donnan equilibrium relation represents a interesting theoretical prediction that should be checked by experimental data. The third system consist of two interacting polyelectrolyte brushes that are grafted to two parallel surfaces. The interactions between brushes are important, for instance, in stabilization of dispersions against flocculation. In the simulations pressure is evaluated as a function of separation D between the two grafting planes. The pressure behavior shows different regimes for decreasing separation. This behavior is in qualitative agreement with experimental data. At relatively weak compression the pressure behavior obtained in the simulation agrees with a 1/D power law predicted by scaling theory. Beyond that the present study could supply new insight for understanding the interaction between polyelectrolyte brushes.
The major aim of this work was the identification of new phloem sap proteins and a metabolic characterisation of this transport fluid. The experiments were performed on the three plant species C. sativus, C. maxima and B. napus. To characterise the phloem samples from B. napus, a new model plant for phloem analysis, western blot tests together with metabolite profiling were performed. GC-MS metabolite profiling and enzyme assays were used for measuring metabolites in the phloem of B. napus. Results from the phloem sap measurements showed, as expected, a typical sugar distribution for apoplasmic phloem loaders with sucrose being the predominant sugar. In stem extracts, the most abundant sugar was glucose with much lower fructose and sucrose levels. With the GC-MS approach it was possible to identify a number of metabolites which showed a differential distribution when phloem and stem tissue extracts were compared. For protein identification, two different approaches were employed (i) screening expression libraries with total phloem protein specific antisera and (ii) protein separation on 2 DE gels followed by ESI-MS/MS sequence analyses. For the first approach, three different phloem protein-specific antisera were produced and expression libraries were constructed. Phloem protein antisera were tested for specificity and some attempts to estimate specific epitopes were undertaken. Screening of the libraries resulted in the identification of 14 different proteins from all investigated species. Analyses of B. napus phloem sap proteins from 2 DE with ESI-MS/MS resulted in the identification of 5 different proteins. The phloem localisation of the identified proteins was additionally confirmed by western blot tests using specific antibodies. In order to functionally characterise some selected phloem proteins from B. napus, the group of potential calcium-binding polypeptides was analysed for functional Ca<sup>+2 binding properties and several Ca<sup>+2–binding proteins could be isolated. However, their sequences could as yet not be determined. Another approach used for functional protein characterisation was the analysis of Arabidopsis T-DNA insertion mutants. Four available mutants with insertions in phloem protein-specific genes were chosen from the SALK and GABI-Kat collections and selected homozygous lines were tested for the presence of the investigated proteins. In order to verify if the product of one of the mutated gene (GRP 7) is transported through the phloem, grafting experiments were performed followed by western blot analyses. Although the employed antiserum against GRP 7 protein did not allow distinguishing between the mutant and the wild type plants, successful Arabidopsis grafting could be established as a promising method for further studies on protein translocation through the phloem.
Investigation of tropospheric arctic aerosol and mixed-phase clouds using airborne lidar technique
(2005)
An Airborne Mobile Aerosol Lidar (AMALi) was constructed and built at Alfred-Wegener-Institute for Polar and Marine Research (AWI) in Potsdam, Germany for the lower tropospheric aerosol and cloud research under tough arctic conditions. The system was successfully used during two AWI airborne field campaigns, ASTAR 2004 and SVALEX 2005, performed in vicinity of Spitsbergen in the Arctic. The novel evaluation schemes, the Two-Stream Inversion and the Iterative Airborne Inversion, were applied to the obtained lidar data. Thereby, calculation of the particle extinction and backscatter coefficient profiles with corresponding lidar ratio profiles characteristic for the arctic air was possible. The comparison of these lidar results with the results of other in-situ and remote instrumentation (ground based Koldewey Aerosol Raman Lidar (KARL), sunphotometer, radiosounding, satellite imagery) allowed to provided clean contra polluted (Arctic Haze) characteristics of the arctic aerosols. Moreover, the data interpretation by means of the ECMWF Operational Analyses and small-scale dispersion model EULAG allowed studying the effects of the Spitsbergens orography on the aerosol load in the Planetary Boundary Layer. With respect to the cloud studies a new methodology of alternated remote AMALi measurements with the airborne in-situ cloud optical and microphysical parameters measurements was proved feasible for the low density mixed-phase cloud studies. An example of such approach during observation of the natural cloud seeding (feeder-seeder phenomenon) with ice crystals precipitating into the lower supercooled stratocumulus deck were discussed in terms of the lidar signal intensity profiles and corresponding depolarisation ratio profiles. For parts of the cloud system characterised by almost negligible multiple scattering the calculation of the particle backscatter coefficient profiles was possible using the lidar ratio information obtained from the in-situ measurements in ice-crystal cloud and water cloud.
In recent years, the aim of supramolecular syntheses is not only the creation of particular structures but also the introduction of specific functions in these supramolecules. The present work describes the use of the ionic self-assembly (ISA) route to generate nanostructured materials with integrated functionality. Since the ISA strategy has proved to be a facile method for the production of liquid-crystalline materials, we investigated the phase behaviour, physical properties and function of a variety of ISA materials comprising a perylene derivative as the employed oligoelectrolyte. Functionality was introduced into the materials through the use of functional surfactants. In order to meet the requirements to produce functional ISA materials through the use of functional surfactants, we designed and synthesized pyrrole-derived monomers as surfactant building blocks. Owing to the presence of the pyrrole moiety, these surfactants are not only polymerizable but are also potentially conductive when polymerized. We adopted single-tailed and double-tailed N-substituted pyrrole monomers as target molecules. Since routine characterization analysis of the double-tailed pyrrole-containing surfactant indicated very interesting, complex phase behaviour, a comprehensive investigation of its interfacial properties and mesophase behavior was conducted. The synthesized pyrrole-derived surfactants were then employed in the synthesis of ISA complexes. The self-assembled materials were characterized and subsequently polymerized by both chemical and electrochemical methods. The changes in the structure and properties of the materials caused by the in-situ polymerization were addressed. In the second part of this work, the motif investigated was a property rather than a function. Since chiral superstructures have obtained much attention during the last few years, we investigated the possibility of chiral ISA materials through the use of chiral surfactants. Thus, the work involved synthesis of novel chiral surfactants and their incorporation in ISA materials with the aim of obtaining ionically self-assembled chiral superstructures. The results and insights presented here suggest that the presented synthesis strategy can be easily extended to incorporate any kind of charged tectonic unit with desired optical, electrical, or magnetic properties into supramolecular assemblies for practical applications.
Neolignans, dehydrodimers of phenylpropenes, are natural products that exhibit different biological activities. 8,5’-Neolignans containing a trans- dihydrobenzofuran skeleton are the most abundant neolignans in nature. The published syntheses of trans-dihydrobenzofurans are multistep procedures that are time consuming and provide the product in low yield. Furthermore, all dimerisation reactions either in the presence of enzymes or mediated by metal salts are yielding dimers consisting of two units of the same phenylpropene compound, narrowing substantially the substitution pattern. Two different general synthetic approaches were examined. The first strategy was the enantioselective deprotonation at the α-carbon of the ο-alkyl phenols in the presence of a chiral diamine and sBuLi. Synthesis of several new phosphorous-based directed ortho-metalation groups was studied. The examined compounds having these new groups decomposed even under very mild reaction conditions and are not suitable for the application in the synthesis. The second strategy was to examine one [3+2] cycloaddition reaction, transition metal catalysed Heck oxyarylation reaction, in the synthetic approach to compounds having trans-dihydrobenzofuran skeleton. Palladium catalysed Heck oxyarylation reaction with halogenophenols or ortho-diazonium phenols as the starting material allowed the trans-dihydrobenzofuran compounds as the major products in acceptable yield and in one step. The products were formed under ligand free condition, as well as in the presence of some strong coordinating ligands (Ph3P). The experiments with several chiral ligands, showed that the obtained trans-dihydrobenzofurans were racemic mixtures. This result suggests formation of an achiral intermediate along the reaction pathway, which causes the lack of stereoselectivity in the products. Initially formed trans-dihydrobenzofuran compounds are the key precursors of many naturally occurring neolignans, and can be easily converted to 8,5’-neolignan derivatives.
Connective ties in discourse: Three ERP studies on causal, temporal and concessive connective ties and their influence on language processing. Questions In four experiments the influence of lexical connectives such as " darum", therefore, " danach", afterwards, and " trotzdem", nevertheless, on the processing of short two-sentence discourses was examined and compared to the processing of deictical sentential adverbs such as " gestern", yesterday, and " lieber", rather. These latter words do not have the property of signaling a certain discourse relation between two sentences, as connective ties do. Three questions were central to the work: * Do the processing contrasts found between connective and non-connective elements extend to connective ties and deictical sentential adverbs (experiments 2 and 3)? * Does the semantic content of the connective ties play the primary role, i.e is the major distinction to be made indeed between connective and non-connective or instead between causal, temporal and concessive? * When precisely is the information provided by connective ties used? There is some evidence that connective ties can have an immediate influence on the integration of subsequent elements, but the end of the second sentences appears to play an important role as well: experiments 2, 3, and 4. Conclusions First of all, the theoretical distinction between connective and non-connective elements does indeed have " cognitive reality" . This has already been shown in previous studies. The present studies do however show, that there is also a difference between one-place discourse elements (deictical sentential adverbs) and two-place discourse elements, namely connective ties, since all experiments examining this contrast found evidence for qualitatively and quantitatively different processing (experiments 1, 2, and 3). Secondly, the semantic type of the connective ties also plays a role. This was not shown for the LAN, found for all connective ties when compared to non-connective elements, and consequently interpreted as a more abstract reflection of the integration of connective ties. There was also no difference between causal and temporal connective ties before the end of the discourses in experiment 3. However, the N400 found for incoherent discourses in experiment 2, larger for connective incoherent than non-connective incoherent discourses, as well as the P3b found for concessive connective ties in the comparison between causal and concessive connective ties gave reason to assume that the semantic content of connective ties is made use of in incremental processing, and that the relation signaled by the connective tie is the one that readers attempt to construct. Concerning when the information provided by connective ties is used, it appears as if connectivity is generally and obligatorily taken at face value. As long as the meaning of a connective tie did not conflict with a preferred canonical discourse relation, there were no differences found for varying connective discourses (experiment 3). However, the fact that concessive connective ties announce the need for a more complex text representation was recognized and made use of immediately (experiment 4). Additionally, a violation of the discourse relation resulted in more difficult semantic integration if a connective tie was present (experiment 2). It is therefore concluded here that connective ties influence processing immediately. This claim has to be modified somewhat, since the sentence-final elements suggested that connective ties trigger different integration processes than non-connective elements. It seems as if the answer to the question of when connective ties are processed is neither exclusively immediately nor exclusively afterwards, but that both viewpoints are correct. It is suggested here that before the end of a discourse economy plays a central role in that a canonical relation is assumed unless there is evidence to the contrary. A connective tie could have the function of reducing the dimensions evaluated in a discourse to the one signaled by the connective tie. At the end of the discourse the representation is evaluated and verified, and an integrated situation model constructed. Here, the complexity of the different discourse relations that connective ties can signal, is expressed.
This thesis aimed to investigate several fundamental and perplexing questions relating to the phloem loading and transport mechanisms of Cucurbita maxima, by combining metabolomic analysis with cell biological techniques. This putative symplastic loading species has long been used for experiments on phloem anatomy, phloem biochemistry, phloem transport physiology and phloem signalling. Symplastic loading species have been proposed to use a polymer trapping mechanism to accumulate RFO (raffinose family oligosaccharides) sugars to build up high osmotic pressure in minor veins which sustains a concentration gradient that drives mass flow. However, extensive evidence indicating a low sugar concentration in their phloem exudates is a long-known problem that conflicts with this hypothesis. Previous metabolomic analysis shows the concentration of many small molecules in phloem exudates is higher than that of leaf tissues, which indicates an active apoplastic loading step. Therefore, in the view of the phloem metabolome, a symplastic loading mechanism cannot explain how small molecules other than RFO sugars are loaded into phloem. Most studies of phloem physiology using cucurbits have neglected the possible functions of vascular architecture in phloem transport. It is well known that there are two phloem systems in cucurbits with distinctly different anatomical features: central phloem and extrafascicular phloem. However, mistaken conclusions on sources of cucurbit phloem exudation from previous reports have hindered consideration of the idea that there may be important differences between these two phloem systems. The major results are summarized as below: 1) O-linked glycans in C.maxima were structurally identified as beta-1,3 linked glucose polymers, and the composition of glycans in cucurbits was found to be species-specific. Inter-species grafting experiments proved that these glycans are phloem mobile and transported uni-directionally from scion to stock. 2) As indicated by stable isotopic labelling experiments, a considerable amount of carbon is incorporated into small metabolites in phloem exudates. However, the incorporation of carbon into RFO sugars is much faster than for other metabolites. 3) Both CO2 labelling experiments and comparative metabolomic analysis of phloem exudates and leaf tissues indicated that metabolic processes other than RFO sugar metabolism play an important role in cucurbit phloem physiology. 4) The underlying assumption that the central phloem of cucurbits continuously releases exudates after physical incision was proved wrong by rigorous experiments including direct observation by normal microscopy and combined multiple-microscopic methods. Errors in previous experimental confirmation of phloem exudation in cucurbits are critically discussed. 5) Extrafascicular phloem was proved to be functional, as indicated by phloem-mobile carboxyfluorescein tracer studies. Commissural sieve tubes interconnect phloem bundles into a complete super-symplastic network. 6) Extrafascicular phloem represents the main source of exudates following physical incision. The major transported metabolites by these extrafacicular phloem are non-sugar compounds including amino acids, O-glycans, amines. 7) Central phloem contains almost exclusively RFO sugars, the estimated amount of which is up to 1 to 2 molar. The major RFO sugar present in central phloem is stachyose. 8) Cucurbits utilize two structurally different phloem systems for transporting different group of metabolites (RFO sugars and non-RFO sugar compounds). This implies that cucurbits may use spatially separated loading mechanisms (apoplastic loading for extrafascicular phloem and symplastic loading for central phloem) for supply of nutrients to sinks. 9) Along the transport systems, RFO sugars were mainly distributed within central phloem tissues. There were only small amounts of RFO sugars present in xylem tissues (millimolar range) and trace amounts of RFO sugars in cortex and pith. The composition of small molecules in external central phloem is very different from that in internal central phloem. 10) Aggregated P-proteins were manually dissected from central phloem and analysed by both SDS-PAGE and mass spectrometry. Partial sequences of peptides were obtained by QTOF de novo sequencing from trypsin digests of three SDS-PAGE bands. None of these partial sequences shows significant homology to known cucurbit phloem proteins or other plant proteins. This proves that these central phloem proteins are a completely new group of proteins different from those in extrafascicular phloem. The extensively analysed P-proteins reported in literature to date are therefore now shown to arise from extrafascicular phloem and not central phloem, and therefore do not appear to be involved in the occlusion processes in central phloem.
The thesis assesses the contribution of technology option of Carbon Capture and Sequestration (CCS) to climate change mitigation. CCS means that CO2 is captured at large industrial facilities and sequestered in goelogical structures. The technology uses the endogenous growth model MIND. Herein the various climate change mitigation options of reducing economic growth, increasing energy efficiency, changing the energy mix and CCS are assessed simultaneously. An important question is whether CCS is a temporary or long-term solution. The results show that in the middle of the 21st century CCS has its peak contribution, which allows prolonged use of relatively cheap fossil energy carriers. However, this leads to delayed introduction of renewable energy carriers. The technology path ways are accombined with different costs of climate change mitigation. The use of CCS delays and reduces the costs of climate change mitigation. However, the delayed introduction of renewable energy carriers leads to reduced technological learning, which induces higher costs in the longer term. All in all the temporary use of CCS reduces the costs of climate change mitigation costs. The result is robust, which is tested with various uncertainty analysis.
Adsorption layers of soluble surfactants enable and govern a variety of phenomena in surface and colloidal sciences, such as foams. The ability of a surfactant solution to form wet foam lamellae is governed by the surface dilatational rheology. Only systems having a non-vanishing imaginary part in their surface dilatational modulus, E, are able to form wet foams. The aim of this thesis is to illuminate the dissipative processes that give rise to the imaginary part of the modulus. There are two controversial models discussed in the literature. The reorientation model assumes that the surfactants adsorb in two distinct states, differing in their orientation. This model is able to describe the frequency dependence of the modulus E. However, it assumes reorientation dynamics in the millisecond time regime. In order to assess this model, we designed a SHG pump-probe experiment that addresses the orientation dynamics. Results obtained reveal that the orientation dynamics occur in the picosecond time regime, being in strong contradiction with the two states model. The second model regards the interface as an interphase. The adsorption layer consists of a topmost monolayer and an adjacent sublayer. The dissipative process is due to the molecular exchange between both layers. The assessment of this model required the design of an experiment that discriminates between the surface compositional term and the sublayer contribution. Such an experiment has been successfully designed and results on elastic and viscoelastic surfactant provided evidence for the correctness of the model. Because of its inherent surface specificity, surface SHG is a powerful analytical tool that can be used to gain information on molecular dynamics and reorganization of soluble surfactants. They are central elements of both experiments. However, they impose several structural elements of the model system. During the course of this thesis, a proper model system has been identified and characterized. The combination of several linear and nonlinear optical techniques, allowed for a detailed picture of the interfacial architecture of these surfactants.
Post-translational redox-regulation is a well-known mechanism to regulate enzymes of the Calvin cycle, oxidative pentose phosphate cycle, NADPH export and ATP synthesis in response to light. The aim of the present thesis was to investigate whether a similar mechanism is also regulating carbon storage in leaves. Previous studies have shown that the key-regulatory enzyme of starch synthesis, ADPglucose pyrophosphorylase (AGPase) is inactivated by formation of an intermolecular disulfide bridge between the two catalytic subunits (AGPB) of the heterotetrameric holoenzyme in potato tubers, but the relevance of this mechanism to regulate starch synthesis in leaves was not investigated. The work presented in this thesis shows that AGPase is subject to post-translational redox-regulation in leaves of pea, potato and Arabidopsis in response to day night changes. Light was shown to trigger posttranslational redox-regulation of AGPase. AGPB was rapidly converted from a dimer to a monomer when isolated pea chloroplasts were illuminated and from a monomer to a dimer when preilluminated leaves were darkened. Conversion of AGPB from dimer to monomer was accompanied by an increase in activity due to changes in the kinetik properties of the enzyme. Studies with pea chloroplast extracts showed that AGPase redox-activation is mediated by thioredoxins f and m from spinach in-vitro. In a further set of experiments it was shown that sugars provide a second input leading to AGPase redox activation and increased starch synthesis and that they can act as a signal which is independent from light. External feeding of sugars such as sucrose or trehalose to Arabidopsis leaves in the dark led to conversion of AGPB from dimer to monomer and to an increase in the rate of starch synthesis, while there were no significant changes in the level of 3PGA, an allosteric activator of the enyzme, and in the NADPH/NADP+ ratio. Experiments with transgenic Arabidopsis plants with altered levels of trehalose 6-phosphate (T6P), the precursor of trehalose synthesis, provided genetic evidence that T6P rather than trehalose is leading to AGPase redox-activation. Compared to Wt, leaves expressing E.coli trehalose-phosphate synthase (TPS) in the cytosol showed increased activation of AGPase and higher starch level during the day, while trehalose-phosphate phosphatase (TPP) overexpressing leaves showed the opposite. These changes occurred independently of changes in sugar and sugar-phosphate levels and NADPH/NADP+ ratio. External supply of sucrose to Wt and TPS-overexpressing leaves led to monomerisation of AGPB, while this response was attenuated in TPP expressing leaves, indicating that T6P is involved in the sucrose-dependent redox-activation of AGPase. To provide biochemical evidence that T6P promotes redox-activation of AGPase independently of cytosolic elements, T6P was fed to intact isolated chloroplasts for 15 min. incubation with concentrations down to 100 µM of T6P, but not with sucrose 6-phosphate, sucrose, trehalose or Pi as controls, significantly and specifically increased AGPB monomerisation and AGPase activity within 15 minutes, implying T6P as a signal reporting the cytosolic sugar status to the chloroplast. The response to T6P did not involve changes in the NADPH/NADP+ ratio consistent with T6P modulating redox-transfer to AGPase independently of changes in plastidial redox-state. Acetyl-CoA carboxylase (ACCase) is known as key-regulatory enzyme of fatty acid and lipid synthesis in plants. At the start of the present thesis there was mainly in vitro evidence in the literature showing redox-regulation of ACCase by DTT, and thioredoxins f and m. In the present thesis the in-vivo relevance of this mechanism to regulate lipid synthesis in leaves was investigated. ACCase activity measurement in leaf tissue collected at the end of the day and night in Arabidopsis leaves revealed a 3-fold higher activation state of the enzyme in the light than in the dark. Redox-activation was accompanied by change in kinetic properties of ACCase, leading to an increase affinity to its substrate acetyl-CoA . In further experiments, DTT as well as sucrose were fed to leaves, and both treatments led to a stimulation in the rate of lipid synthesis accompanied by redox-activation of ACCase and decrease in acetyl-CoA content. In a final approach, comparison of metabolic and transcript profiling after DTT feeding and after sucrose feeding to leaves provided evidence that redox-modification is an important regulatory mechanism in central metabolic pathways such as TCA cycle and amino acid synthesis, which acts independently of transcript levels.
Modern biological analysis techniques supply scientists with various forms of data. One category of such data are the so called "expression data". These data indicate the quantities of biochemical compounds present in tissue samples. Recently, expression data can be generated at a high speed. This leads in turn to amounts of data no longer analysable by classical statistical techniques. Systems biology is the new field that focuses on the modelling of this information. At present, various methods are used for this purpose. One superordinate class of these methods is machine learning. Methods of this kind had, until recently, predominantly been used for classification and prediction tasks. This neglected a powerful secondary benefit: the ability to induce interpretable models. Obtaining such models from data has become a key issue within Systems biology. Numerous approaches have been proposed and intensively discussed. This thesis focuses on the examination and exploitation of one basic technique: decision trees. The concept of comparing sets of decision trees is developed. This method offers the possibility of identifying significant thresholds in continuous or discrete valued attributes through their corresponding set of decision trees. Finding significant thresholds in attributes is a means of identifying states in living organisms. Knowing about states is an invaluable clue to the understanding of dynamic processes in organisms. Applied to metabolite concentration data, the proposed method was able to identify states which were not found with conventional techniques for threshold extraction. A second approach exploits the structure of sets of decision trees for the discovery of combinatorial dependencies between attributes. Previous work on this issue has focused either on expensive computational methods or the interpretation of single decision trees a very limited exploitation of the data. This has led to incomplete or unstable results. That is why a new method is developed that uses sets of decision trees to overcome these limitations. Both the introduced methods are available as software tools. They can be applied consecutively or separately. That way they make up a package of analytical tools that usefully supplement existing methods. By means of these tools, the newly introduced methods were able to confirm existing knowledge and to suggest interesting and new relationships between metabolites.
The Reversible Addition Fragmentation Chain Transfer (RAFT) process using the new RAFT agent benzyldithiophenyl acetate is shown to be a powerful polymerization tool to synthesize novel well-defined amphiphilic diblock copolymers composed of the constant hydrophobic block poly(butyl acrylate) and of 6 different hydrophilic blocks with various polarities, namely a series of non-ionic, non-ionic comb-like, anionic and cationic hydrophilic blocks. The controlled character of the polymerizations was supported by the linear increase of the molar masses with conversion, monomodal molar mass distributions with low polydispersities and high degrees of end-group functionalization. The new macro-surfactants form micelles in water, whose size and geometry strongly depend on their composition, according to dynamic and static light scattering measurements. The micellization is shown to be thermodynamically favored, due to the high incompatibility of the blocks as indicated by thermal analysis of the block copolymers in bulk. The thermodynamic state in solution is found to be in the strong or super strong segregation limit. Nevertheless, due to the low glass transition temperature of the core-forming block, unimer exchange occurs between the micelles. Despite the dynamic character of the polymeric micellar systems, the aggregation behavior is strongly dependent on the history of the sample, i.e., on the preparation conditions. The aqueous micelles exhibit high stability upon temperature cycles, except for an irreversibly precipitating block copolymer containing a hydrophilic block exhibiting a lower critical solution temperature (LCST). Their exceptional stability upon dilution indicates very low critical micelle concentrations (CMC) (below 4∙10<sup>-4 g∙L<sup>-1). All non-ionic copolymers with sufficiently long solvophobic blocks aggregated into direct micelles in DMSO, too. Additionally, a new low-toxic highly hydrophilic sulfoxide block enables the formation of inverse micelles in organic solvents. The high potential of the new polymeric surfactants for many applications is demonstrated, in comparison to reference surfactants. The diblock copolymers are weakly surface-active, as indicated by the graduate decrease of the surface tension of their aqueous solutions with increasing concentration. No CMC could be detected. Their surface properties at the air/water interface confer anti-foaming properties. The macro-surfactants synthesized are surface-active at the interface between two liquid phases, too, since they are able to stabilize emulsions. The polymeric micelles are shown to exhibit a high ability to solubilize hydrophobic substances in water.
Quantified Boolean formulas (QBFs) play an important role in theoretical computer science. QBF extends propositional logic in such a way that many advanced forms of reasoning can be easily formulated and evaluated. In this dissertation we present our ZQSAT, which is an algorithm for evaluating quantified Boolean formulas. ZQSAT is based on ZBDD: Zero-Suppressed Binary Decision Diagram , which is a variant of BDD, and an adopted version of the DPLL algorithm. It has been implemented in C using the CUDD: Colorado University Decision Diagram package. The capability of ZBDDs in storing sets of subsets efficiently enabled us to store the clauses of a QBF very compactly and let us to embed the notion of memoization to the DPLL algorithm. These points led us to implement the search algorithm in such a way that we could store and reuse the results of all previously solved subformulas with a little overheads. ZQSAT can solve some sets of standard QBF benchmark problems (known to be hard for DPLL based algorithms) faster than the best existing solvers. In addition to prenex-CNF, ZQSAT accepts prenex-NNF formulas. We show and prove how this capability can be exponentially beneficial.
This work explores the equilibrium structure and thermodynamic phase behavior of complexes formed by charged polymer chains (polyelectrolytes) and oppositely charged spheres (macroions). Polyelectrolyte-macroion complexes form a common pattern in soft-matter physics, chemistry and biology, and enter in numerous technological applications as well. From a fundamental point of view, such complexes are interesting in that they combine the subtle interplay between electrostatic interactions and elastic as well as entropic effects due to conformational changes of the polymer chain, giving rise to a wide range of structural properties. This forms the central theme of theoretical studies presented in this thesis, which concentrate on a number of different problems involving strongly coupled complexes, i.e. complexes that are characterized by a large adsorption energy and small chain fluctuations. In the first part, a global analysis of the structural phase behavior of a single polyelectrolyte-macroion complex is presented based on a dimensionless representation, yielding results that cover a wide range of realistic system parameters. Emphasize is made on the interplay between the effects due to the polyelectrolytes chain length, salt concentration and the macroion charge as well as the mechanical chain persistence length. The results are summarized into generic phase diagrams characterizing the wrapping-dewrapping behavior of a polyelectrolyte chain on a macroion. A fully wrapped chain state is typically obtained at intermediate salt concentrations and chain lengths, where the amount of polyelectrolyte charge adsorbed on the macroion typically exceeds the bare macroion charge leading thus to a highly overcharged complex. Perhaps the most striking features occur when a single long polyelectrolyte chain is complexed with many oppositely charged spheres. In biology, such complexes form between DNA (which carries the cell's genetic information) and small oppositely charged histone proteins serving as an efficient mechanism for packing a huge amount of DNA into the micron-size cell nucleus in eucaryotic cells. The resultant complex fiber, known as the chromatin fiber, appears with a diameter of 30~nm under physiological conditions. Recent experiments indicate a zig-zag spatial arrangement for individual DNA-histone complexes (nucleosome core particles) along the chromatin fiber. A numerical method is introduced in this thesis based on a simple generic chain-sphere cell model that enables one to investigate the mechanism of fiber formation on a systematic level by incorporating electrostatic and elastic contributions. As will be shown, stable complex fibers exhibit an impressive variety of structures including zig-zag, solenoidal and beads-on-a-string patterns, depending on system parameters such as salt concentration, sphere charge as well as the chain contour length (per sphere). The present results predict fibers of compact zig-zag structure within the physiologically relevant regime with a diameter of about 30~nm, when DNA-histone parameters are adopted. In the next part, a numerical method is developed in order to investigate the role of thermal fluctuations on the structure and thermodynamic phase behavior of polyelectrolyte-macroion complexes. This is based on a saddle-point approximation, which allows to describe the experimentally observed reaction (or complexation) equilibrium in a dilute solution of polyelectrolytes and macroions on a systematic level. This equilibrium is determined by the entropy loss a single polyelectrolyte chain suffers as it binds to an oppositely charged macroion. This latter quantity can be calculated from the spectrum of polyelectrolyte fluctuations around a macroion, which is determined by means of a normal-mode analysis. Thereby, a stability phase diagram is obtained, which exhibits qualitative agreement with experimental findings. At elevated complex concentrations, one needs to account for the inter-complex interactions as well. It will be shown that at small separations, complexes undergo structural changes in such a way that positive patches from one complex match up with negative patches on the other. Furthermore, one of the polyelectrolyte chains may bridge between the two complexes. These mechanisms lead to a strong inter-complex attraction. As a result, the second virial coefficient associated with the inter-complex interaction becomes negative at intermediate salt concentrations in qualitative agreement with recent experiments on solutions of nucleosome core particles.
Consumer attitudes towards genetically modified foods in Europe : structure and changeability
(2004)
Genetically modified foods have been at the center of debate in European consumer policy in the last two decades. Although the quasi-moratorium has been lifted in May 2004 and the road to the market is in principle reopened, strategies for product introduction are lacking. The aim of the research is to assess potential barriers in the area of consumer acceptance and suggest ways in which they can be overcome. After a short history of the genetically modified foods debate in Europe, the existing literature is reviewed. Although previous research converges in its central results, issues that are more fundamental have remained unresolved. Based on classical approaches in attitude research and modern theories of social cognition, a general model of the structure, function and dynamics of whole systems of attitudes is developed. The predictions of the model are empirically tested based on an attitude survey (N = 2000) and two attitude change experiments (N = 1400 and N = 750). All three studies were conducted in parallel in four EU member states. The results show that consumer attitudes towards genetically modified foods are embedded into a structured system of general socio-political attitudes. The system operates as a schema through which consumers form global evaluations of the technology. Specific risk and benefit judgments are mere epiphenomena of this process. Risk-benefit trade-offs, as often presupposed in the literature, do not appear to enter the process. The attitudes have a value-expressive function; their purpose is not just a temporary reduction of complexity. These properties render the system utterly resistant to communicative interventions. At the same time, it exerts stong anchoring effects on the processing of new information. Communication of benefit arguments can trigger boomerang effects and backfire on the credibility of the communicator when the arguments contrast with preexisting attitudes held by the consumer. Only direct sensory experience with high-quality products can partially bypass the system and lead to the formation of alternative attitude structures. Therefore, the recommended market introduction strategy for genetically modified foods is the simultaneous and coordinated launch of many high-quality products. Point of sale promotions should be the central instrument. Information campaigns, on the other hand, are not likely to have an effect on the product and technology acceptance of European consumers.
Arabidopsis thaliana trichomes exhibit strong birefringence under polarized light, a characteristic of cell walls containing large amounts of highly ordered cellulose microfibrils. The tbr1 mutant of Arabidopsis lacks trichome birefringence and is deficient in secondary cell wall cellulose synthesis (Potikha and Delmer, 1995). The TBR gene was identified by recombinational mapping, candidate gene sequencing and molecular complementation using genomic cosmid clones, as well as a p35S:TBR genomic DNA construct, fully rescuing the mutant phenotype in both cases. The only mutant allele available (tbr-1) carries a substitution (G to E) in a conserved aminoacid domain of the protein. TBR gene structure was proved to have a longer size than the one found to be annotated at the time of identification in the data-base. A full cDNA clone containing the full transcript was available and also complementation experiments using different gene fragments (annotated and suggested) leaded to the result that TBR gene is indeed, longer. TBR encodes a novel plant-specific protein with predicted plasma membrane localization, therefore being consistent with idea that is required for-, or is a novel component of a functional cellulose synthase complex. TBR is part of an Arabidopsis gene/protein family, (TBL-trichome birefringence like) which, depending on homology, comprises up to 20 members, none of which has a biological or biochemical function attributed. T-DNA insertion lines in TBR gene and two close homologues have been screened by PCR, but no homozygous were found and no trichomes phenotype was identified. Promoter-GUS lines were produced for TBR, as well as for its two closest homologues (one being a segmentally duplicated gene on chromosome III), using 1.6-2 kb of promoter sequence upstream of the annotated start codons. The TBR promoter was the only one of the three that yielded trichome expression, this probably explaining the phenotype of the TBR mutant. Moreover, TBR is expressed in leaves, in growing lateral roots, and in vascular tissues of young Arabidopsis seedlings and plantlets. Later on, the expression appears in inflorescens, stems, flowers and green siliques. This expression pattern is largely overlapping with those of the two analyzed homologues and it corresponds with data of RT-PCR expression profiling performed for TBR and the two analyzed homologues in different tissues, at different developmental stages. Biochemical analysis of cell wall (leaves and trichomes), as GC and MALDI-TOF, were performed, but revealed no major differences between tbr1 and wild type plants. Scanning electron microscopy analysis and cell wall polysaccharides antibody labeling showed a clear difference in the trichomes cell wall structure between mutant plant and wild type.
The scope of this study is to investigate the environmental change in the German part of the Elbe river basin, whereby the focus is on two water related problems: having too little water and having water of poor quality. The Elbe region is representative of humid to semi-humid landscapes in central Europe, where water availability during the summer season is the limiting factor for plant growth and crop yields, especially in the loess areas, where the annual precipitation is lower than 500 mm. It is most likely that water quantity problems will accelerate in future, because both the observed and the projected climate trend show an increase in temperature and a decrease in annual precipitation, especially in the summer. Another problem is nutrient pollution of rivers and lakes. In the early 1990s, the Elbe was one of the most heavily polluted rivers in Europe. Even though nutrient emissions from point sources have notably decreased in the basin due to reduction of industrial sources and introduction of new and improved sewage treatment facilities, the diffuse sources of pollution are still not sufficiently controlled. The investigations have been done using the eco-hydrological model SWIM (Soil and Water Integrated Model), which has been embedded in a model framework of climate and agro-economic models. A global scenario of climate and agro-economic change has been regionalized to generate transient climate forcing data and land use boundary conditions for the model. The model was used to transform the climate and land use changes into altered evapotranspiration, groundwater recharge, crop yields and river discharge, and to investigate the development of water quality in the river basin. Particular emphasis was given to assessing the significance of the impacts on the hydrology, taking into account in the analysis the inherent uncertainty of the regional climate change as well as the uncertainty in the results of the model. The average trend of the regional climate change scenario indicates a decrease in mean annual precipitation up to 2055 of about 1.5 %, but with high uncertainty (covering the range from -15.3 % to +14.8 %), and a less uncertain increase in temperature of approximately 1.4 K. The relatively small change in precipitation in conjunction with the change in temperature leads to severe impacts on groundwater recharge and river flow. Increasing temperature induces longer vegetation periods, and the seasonality of the flow regime changes towards longer low flow spells in summer. As a results the water availability will decrease on average of the scenario simulations by approximately 15 %. The increase in temperatures will improve the growth conditions for temperature limited crops like maize. The uncertainty of the climate trend is particularly high in regions where the change is the highest. The simulation results for the Nuthe subbasin of the Elbe indicate that retention processes in groundwater, wetlands and riparian zones have a high potential to reduce the nitrate concentrations of rivers and lakes in the basin, because they are located at the interface between catchment area and surface water bodies, where they are controlling the diffuse nutrient inputs. The relatively high retention of nitrate in the Nuthe basin is due to the long residence time of water in the subsurface (about 40 years), with good conditions for denitrification, and due to nitrate retention and plant uptake in wetlands and riparian zones. The concluding result of the study is that the natural environment and communities in parts of Central Europe will have considerably lower water resources under scenario conditions. The water quality will improve, but due to the long residence time of water and nutrients in the subsurface, this improvement will be slower in areas where the conditions for nutrient turn-over in the subsurface are poor.
In the present work, we discuss two subjects related to the nonequilibrium dynamics of polymers or biological filaments adsorbed to two-dimensional substrates. The first part is dedicated to thermally activated dynamics of polymers on structured substrates in the presence or absence of a driving force. The structured substrate is represented by double-well or periodic potentials. We consider both homogeneous and point driving forces. Point-like driving forces can be realized in single molecule manipulation by atomic force microscopy tips. Uniform driving forces can be generated by hydrodynamic flow or by electric fields for charged polymers. In the second part, we consider collective filament motion in motility assays for motor proteins, where filaments glide over a motor-coated substrate. The model for the simulation of the filament dynamics contains interactive deformable filaments that move under the influence of forces from molecular motors and thermal noise. Motor tails are attached to the substrate and modeled as flexible polymers (entropic springs), motor heads perform a directed walk with a given force-velocity relation. We study the collective filament dynamics and pattern formation as a function of the motor and filament density, the force-velocity characteristics, the detachment rate of motor proteins and the filament interaction. In particular, the formation and statistics of filament patterns such as nematic ordering due to motor activity or clusters due to blocking effects are investigated. Our results are experimentally accessible and possible experimental realizations are discussed.
Nitrogen is often a limiting factor for plant growth due to its heterogenous distribution in the soil and to seasonal and diurnal changes in growth rates. In most soils, NH4+ and NO3 – are the predominant sources of inorganic nitrogen that are available for plant nutrition. In this context, plants have evolved mechanisms that enable them to optimize nitrogen acquisition, which include transporters specialized in the uptake of nitrogen and susceptible to a regulation that responds to nitrogen limiting or excess conditions. Although the average NH4+ concentrations of soils are generally 100 to 1000 times lower than those of NO3 – (Marschner, 1995), most plants preferentially take up NH4+ when both forms are present because unlike NO3– , NH4+ has not to be reduced prior to assimilation and thus requires less energy for assimilation (Bloom et al., 1992). Apart from high uptake rates in roots, high intracellular ammonium concentrations also result from quantitatively important internal breakdown of amino acids (Feng et al., 1998), and originates in high quantities during photorespiration (Mattson et al., 1997, Pearson et al., 1998). Thus, NH4+ is a key component of nitrogen metabolism for all plants and can accumulate to varying concentrations in all compartments of the cell, including the cytosol, the vacuole and in the apoplast (Wells and Miller, 2000; Nielsen and Schjoerring, 1998). Two related families of ammonium transporters (AMT1 and AMT2), containing six genes which encode transporter proteins that are specific for ammonium had been identified prior to this thesis and some genes had partially been characterised in Arabidopsis (Gazzarrini et al., 1999; Sohlenkamp et al. 2002; Kaiser et al., 2002). However, these studies were not sufficient to assign physiological functions to the individual transporters and AMT1.4 and AMT1.5 had not been studied prior to this thesis. Given this background, it was considered desirable to acquire a deeper knowledge of the physiological functions of the six Arabidopsis ammonium transporters. To this end, tissue specific expression profiles of the individual wildtype AtAMT genes were performed by quantitative real time PCR (qRT-PCR) and promoter-GUS expression. Modern approaches such as the use of T-DNA insertional mutants and RNAi hairpin constructs were employed to reduce the expression levels of AMT genes. Transcript levels were determined, and physiological, biochemical and developmental analysis such as growth tests on different media and 14C-MA and NH4+ uptake studies with the isolated insertional mutants and RNAi lines were performed to deepen the knowledge of the individual functions of the six AMTs in Arabidopsis. In addition, double mutants of the insertional mutants were created to investigate the extent in which homologous genes could compensate for lost transporter functions. The results described in this thesis show that the six AtAMT genes display a high degree of specifity in their tissue specific expression and are likely to play complementary roles in ammonium uptake into roots, in shoots, and in flowers. AtAMT1.1 is likely to be a ‘work horse’ for cellular ammonium transport and reassimilation. A major role is probably the recapture of photorespiratory NH3/NH4+ escaping from the cytosol. In roots, it is likely to transport NH4+ from the apoplast into cortical cells. AtAMT1.3 and AtAMT1.5 appear to be specialised in the acquisition of external NH4+ from the soil. Furthermore, AtAMT1.5 plays an additional role in the reassimilation of NH3/NH4+ released during the breakdown of storage proteins in the cotyledons of germinating seedlings. It was difficult to distinguish a specialisation between the transporters AtAMt1.2 and AtAMt1.1, however the root and flower specific expression patterns are different and indicate alternative functions of both. AtAMT1.4 has a very distinct expression which is restricted to the vascular bundels of leaves and to pollen only, where it is likely to be involved in the loading of NH4+ into the cells.The AtAMT2.1 expression pattern is confined to vascular bundels and meristematic active tissues in leaves where ammonium concentrations can reach very high levels. Additionally, the Vmax of AtAMT2 increases with increasing external pH, contrasting to AtAMT1.1. Thus, AtAMT2.1 it might be specialised in ammonium transport in ammonium rich environments, where the functions of other transporters are limited, enabling cells to take up NH4+ over a wide range of concentrations. The root hair expression ascribes an additional role in NH3/NH4+ acquisition where it possibly serves as a transporter that is able to acquire ammonium from basic soils where other transporters become less effective.RNAi lines showing a reduction in AtAMT gene mRNA levels and NH4+ transport kinetics, grew slower and flowering time was delayed. This indicates that NH4+ is a crucial and limiting factor for plant growth.
Strong damped Lyman alpha absorption (DLA) lines seen spectra of distant quasar are believed to arise when the sight line to the quasar goes trough the disc of a galaxy or a proto galaxy. Most of the neutral matter in the universe is contained in these clouds of neutral hydrogen that cause the absorption lines. Hence these DLAs are reservoirs for the formation of stars and galaxies throughout the universe. Despite intensive efforts over more than two decades only few galaxies responsible for the DLAs have been found. The problem is that the galaxies that harbour the neutral clouds are not necessarily bright, and selecting galaxies based on absorption lines could well select different types of galaxies than found in large surveys. If we are to understand how galaxies form out of neutral gas clouds it is essential to locate the galaxies in which DLAs reside. This thesis explores the use of integral field spectroscopy (IFS) to observe quasars known to have strong absorption lines in their spectra. IFS allows us to obtain a spectrum at many spatial points close to the quasar, thus providing images and spectroscopy simultaneously. From the imaging part, we can directly identify objects, and from the spectroscopy we can calculate the distances to the objects. When the distance of the object found in emission matches the distance to the object that cause the DLA line, we have identified the absorbing galaxy. Using this technique, we have showed that we can successfully recover a few DLA galaxies known previously from the literature. In a survey aimed to increase the number of DLA galaxies we have identified eight new candidate DLA galaxies. The projected distances from the candidates to the quasar sight lines indicate that the DLA galaxies have sizes similar to local disc galaxies. Hence our results suggest that large discs may be present when the universe was just 2 billion years old. We furthermore find no differences between the sizes of the very distant DLA galaxies and those that are not so distant. The large sizes imply that their neutral hydrogen masses are also similar to those in local galaxies, but we argue that the DLA galaxies are not necessarily as luminous as the present day disc galaxies. Taking advantage of the three-dimensional view provided by the IFS data, the second part of this thesis investigates extended emission line regions arising in the quasar neighborhood. We find that extended emission line nebulae are common around quasars, and explore the effects that may be the cause. Some quasars are known to be powerful radio emitters while others are not detected at radio wavelengths. We find that significantly larger and brighter emission line nebulae are found around the quasars which have the brightest radio emission, and in particular those that have large radio jets. The existence of the nebulae can be interpreted as an interaction of the radio jet with the surrounding medium, but we can not rule out a scenario where there are density or temperature differences in the surrounding environment. Only for the brightest object, where additional velocity information can be derived from the IFS data, can we argue for an interaction. In conclusion the use of IFS to search for faint emission lines, both from point sources and extended nebulae provides exciting new results within the scientific areas studied here.
Understanding the principles of self-organisation exhibited by block copolymers requires the combination of synthetic and physicochemical knowledge. The ability to synthesise block copolymers with desired architecture facilitates the ability to manipulate their aggregation behaviour, thus providing the key to nanotechnology. Apart from relative block volumes, the size and morphology of the produced nanostructures is controlled by the effective incompatibility between the different blocks. Since polymerisation techniques allowing for the synthesis of well-defined block copolymers are restricted to a limited number of monomers, the ability to tune the incompatibility is very limited. Nevertheless, Polymer Analogue Reactions can offer another possibility for the production of functional block copolymers by chemical modifications of well-defined polymer precursors. Therefore, by applying appropriate modification methods both volume fractions and incompatibility, can be adjusted. Moreover, copolymers with introduced functional units allow utilization of the concept of molecular recognition in the world of synthetic polymers. The present work describes a modular synthetic approach towards functional block copolymers. Radical addition of functional mercaptanes was employed for the introduction of diverse functional groups to polybutadiene-containing block copolymers. Various modifications of 1,2-polybutadiene-poly(ethylene oxide) block copolymer precursors are described in detail. Furthermore, extension of the concept to 1,2-polybutadiene-polystyrene block copolymers is demonstrated. Further investigations involved the self-organisation of the modified block copolymers. Formed aggregates in aqueous solutions of block copolymers with introduced carboxylic acid, amine and hydroxyl groups as well as fluorinated chains were characterised. Study of the aggregation behaviour allowed general conclusions to be drawn regarding the influence of the introduced groups on the self-organisation of the modified copolymers. Finally, possibilities for the formation of complexes, based on electrostatic or hydrogen-bonding interactions in mixtures of block copolymers bearing mutually interacting functional groups, were investigated.
Subduction zones are regions of intense earthquake activity up to great depth. Sources are located inside the subducting lithosphere and, as a consequence, seismic radiation from subduction zone earthquakes is strongly affected by the interior slab structure. The wave field of these intraslab events observed in the forearc region is profoundly influenced by a seismically slow layer atop the slab surface. This several kilometer thick low-velocity channel (wave guide) causes the entrapment of seismic energy producing strong guided wave phases that appear in P onsets in certain regions of the forearc. Observations at the Chile-Peru subduction zone presented here, as well as observations at several other circum-pacific subduction zones show such signals. Guided wave analysis contributes details of immense value regarding the processes near the slab surface, such as layering of subducted lithosphere, source locations of intraslab seismicity and most of all, range and manner of mineralogical phase transitions. Seismological data stem from intermediate depth events (depth range 70 km - 300 km) recorded in northern Chile near 21 Grad S during the collaborative research initiative " Deformation Processes in the Andes" (SFB 267). A subset of stations - all located within a slab-parallel transect close to 69 Grad W - show low-frequency first arrivals (2 Hz), sometimes followed by a second high-frequency phase. We employ 2-dimensional finite-difference simulations of complete P-SV wave propagation to explore the parameter space of subduction zone wave guides and explain the observations. Key processes underlying the guided wave propagation are studied: Two distinct mechanisms of decoupling of trapped energy from the wave guide are analyzed - a prerequisite to observe the phases at stations located at large distances from the wave guide (up to 100 km). Variations of guided wave effects perpendicular to the strike of the subduction zone are investigated, such as the influence of phases traveling in the fast slab. Further, the merits and limits of guided wave analysis are assessed. Frequency spectra of the guided wave onsets prove to be a robust quantity that captures guided wave characteristics at subduction zones including higher mode excitation. They facilitate the inference of wave guide structure and source positioning: The peak frequency of the guided wave fundamental mode is associated with a certain combination of layer width and velocity contrast. The excitation strength of the guided wave fundamental mode and higher modes is associated with source position and orientation relative to the low-velocity layer. The guided wave signals at the Chile-Peru subduction zone are caused by energy that leaks from the subduction zone wave guide. On the one hand, the bend shape of the slab allows for leakage at a depth of 100 km. On the other, equalization of velocities between the wave guide and the host rocks causes further energy leakage at the contact zone between continental and oceanic crust (70 km depth). Guided waves bearing information on deep slab structure can therefore be recorded at specific regions in the forearc. These regions are determined based on slab geometry, and their locations coincide with the observations. A number of strong constraints on the structure of the Chile-Peru slab are inferred: The deep wave guide for intraslab events is formed by a layer of 2 km average width that remains seismically slow (7 percent velocity reduction compared to surrounding mantle). This low-velocity layer at the top of the Chile-Peru slab is imaged from a depth of 100 km down to at least 160 km. Intermediate depth events causing the observed phases are located inside the layer or directly beneath it in the slab mantle. The layer is interpreted as partially eclogized lower oceanic crust persisting to depth beyond the volcanic arc.
In this work, the nonaqueous synthesis of binary and ternary metal oxide nanoparticles is investigated for a number of technologically important materials. A strong focus was put on studying the reaction mechanisms leading to particle formation upon solvothermal treatment of the precursors, as an understanding of the formation processes is expected to be crucial for a better control of the systems, offering the potential to tailor particle size and morphology. The synthesis of BaTiO3 was achieved by solvothermal reaction of metallic barium and titanium isopropoxide in organic solvents. Phase-pure, highly crystalline particles about 6 nm in size resulted in benzyl alcohol, whereas larger particles could be obtained in ketones such as acetone or acetophenone. In benzyl alcohol, a novel mechanism was found to lead to BaTiO3, involving a C–C coupling step between the isopropoxide ligand and the benzylic carbon of the solvent. The resulting coupling product, 4-phenyl-2-butanol, is found in almost stoichiometric yield. The particle formation in ketones proceeds via a Ti-mediated aldol condensation of the solvent, involving formal elimination of water which induces formation of the oxide. These processes also occurred when reacting solely the titanium alkoxide with ketones or aldehydes, leading to highly crystalline anatase nanoparticles for all tested solvents. In ketones, also the synthesis of nanopowders of lead zirconate titanate (PZT) was achieved, which were initially amorphous but could be crystallized by calcination at moderate temperatures. Additionally, PZT films were prepared by simply casting a suspension of the powder onto Si substrates followed by calcination.Solvothermal synthesis however is not restricted to alkoxides as precursors but is also achieved from metal acetylacetonates. The use of benzylamine as solvent proved particularly versatile, making possible the synthesis of nanocrystalline In2O3, Ga2O3, ZnO and iron oxide from the respective acetylacetonates. During the synthesis, the acetylacetonate ligand undergoes a solvolysis under C–C cleavage, resulting in metal-bound enolate ligands which, in analogy to the synthesis in ketones, induce ketimine and aldol condensation reactions. In the last section of this work, surface functionalization of anatase nanoparticles is explored. The particles were first capped with various organic ligands via a facile in situ route, which resulted in altered properties such as enhanced dispersibility in various solvents. In a second step, short functional oligopeptide segments were attached to the particles by means of a catechol linker to achieve advanced self-assembly properties.
About 24 % of the land surface in the northern hemisphere are underlayed by permafrost in various states. Permafrost aggradation occurs under special environmental conditions with overall low annual precipitation rates and very low mean annual temperatures. Because the general permafrost occurrence is mainly driven by large-scale climatic conditions, the distribution of permafrost deposits can be considered as an important climate indicator. The region with the most extensive continuous permafrost is Siberia. In northeast Siberia, the ice- and organic-rich permafrost deposits of the Ice Complex are widely distributed. These deposits consist mostly of silty to fine-grained sandy sediments that were accumulated during the Late Pleistocene in an extensive plain on the then subaerial Laptev Sea shelf. One important precondition for the Ice Complex sedimentation was, that the Laptev Sea shelf was not glaciated during the Late Pleistocene, resulting in a mostly continuous accumulation of permafrost sediments for at least this period. This shelf landscape became inundated and eroded in large parts by the Holocene marine transgression after the Last Glacial Maximum. Remnants of this landscape are preserved only in the present day coastal areas. Because the Ice Complex deposits contain a wide variety of palaeo-environmental proxies, it is an excellent palaeo-climate archive for the Late Quaternary in the region. Furthermore, the ice-rich Ice Complex deposits are sensible to climatic change, i.e. climate warming. Because of the large-scale climatic changes at the transition from the Pleistocene to the Holocene, the Ice Complex was subject to extensive thermokarst processes since the Early Holocene. Permafrost deposits are not only an environmental indicator, but also an important climate factor. Tundra wetlands, which have developed in environments with aggrading permafrost, are considered a net sink for carbon, as organic matter is stored in peat or is syn-sedimentary frozen with permafrost aggradation. Contrary, the Holocene thermokarst development resulted in permafrost degradation and thus the release of formerly stored organic carbon. Modern tundra wetlands are also considered an important source for the climate-driving gas methane, originating mainly from microbial activity in the seasonal active layer. Most scenarios for future global climate development predict a strong warming trend especially in the Arctic. Consequently, for the understanding of how permafrost deposits will react and contribute to such scenarios, it is necessary to investigate and evaluate ice-rich permafrost deposits like the widespread Ice Complex as climate indicator and climate factor during the Late Quaternary. Such investigations are a pre-condition for the precise modelling of future developments in permafrost distribution and the influence of permafrost degradation on global climate. The focus of this work, which was conducted within the frame of the multi-disciplinary joint German-Russian research projects "Laptev Sea 2000" (1998-2002) and "Dynamics of Permafrost" (2003-2005), was twofold. First, the possibilities of using remote sensing and terrain modelling techniques for the observation of periglacial landscapes in Northeast Siberia in their present state was evaluated and applied to key sites in the Laptev Sea coastal lowlands. The key sites were situated in the eastern Laptev Sea (Bykovsky Peninsula and Khorogor Valley) and the western Laptev Sea (Cape Mamontovy Klyk region). For this task, techniques using CORONA satellite imagery, Landsat-7 satellite imagery, and digital elevation models were developed for the mapping of periglacial structures, which are especially indicative of permafrost degradation. The major goals were to quantify the extent of permafrost degradation structures and their distribution in the investigated key areas, and to establish techniques, which can be used also for the investigation of other regions with thermokarst occurrence. Geographical information systems were employed for the mapping, the spatial analysis, and the enhancement of classification results by rule-based stratification. The results from the key sites show, that thermokarst, and related processes and structures, completely re-shaped the former accumulation plain to a strongly degraded landscape, which is characterised by extensive deep depressions and erosional remnants of the Late Pleistocene surface. As a results of this rapid process, which in large parts happened within a short period during the Early Holocene, the hydrological and sedimentological regime was completely changed on a large scale. These events resulted also in a release of large amounts of organic carbon. Thermokarst is now the major component in the modern periglacial landscapes in terms of spatial extent, but also in its influence on hydrology, sedimentation and the development of vegetation assemblages. Second, the possibilities of using remote sensing and terrain modelling as a supplementary tool for palaeo-environmental reconstructions in the investigated regions were explored. For this task additionally a comprehensive cryolithological field database was developed for the Bykovsky Peninsula and the Khorogor Valley, which contains previously published data from boreholes, outcrops sections, subsurface samples, and subsurface samples, as well as additional own field data. The period covered by this database is mainly the Late Pleistocene and the Holocene, but also the basal deposits of the sedimentary sequence, interpreted as Pliocene to Early Pleistocene, are contained. Remote sensing was applied for the observation of periglacial strucures, which then were successfully related to distinct landscape development stages or time intervals in the investigation area. Terrain modelling was used for providing a general context of the landscape development. Finally, a scheme was developed describing mainly the Late Quaternary landscape evolution in this area. A major finding was the possibility of connecting periglacial surface structures to distinct landscape development stages, and thus use them as additional palaeo-environmental indicator together with other proxies for area-related palaeo-environmental reconstructions. In the landscape evolution scheme, i.e. of the genesis of the Late Pleistocene Ice Complex and the Holocene thermokarst development, some new aspects are presented in terms of sediment source and general sedimentation conditions. This findings apply also for other sites in the Laptev Sea region.
Reversible addition-fragmentation transfer (RAFT) was used as a controlling technique for studying the aqueous heterophase polymerization. The polymerization rates obtained by calorimetric investigation of ab initio emulsion polymerization of styrene revealed the strong influence of the type and combination of the RAFT agent and initiator on the polymerization rate and its profile. The studies in all-glass reactors on the evolution of the characteristic data such as average molecular weight, molecular weight distribution, and average particle size during the polymerization revealed the importance of the peculiarities of the heterophase system such as compartmentalization, swelling, and phase transfer. These results illustrated the important role of the water solubility of the initiator in determining the main loci of polymerization and the crucial role of the hydrophobicity of the RAFT agent for efficient transportation to the polymer particles. For an optimum control during ab-initio batch heterophase polymerization of styrene with RAFT, the RAFT agent must have certain hydrophilicity and the initiator must be water soluble in order to minimize reactions in the monomer phase. An analytical method was developed for the quantitative measurements of the sorption of the RAFT agents to the polymer particles based on the absorption of the visible light by the RAFT agent. Polymer nanoparticles, temperature, and stirring were employed to simulate the conditions of a typical aqueous heterophase polymerization system. The results confirmed the role of the hydrophilicity of the RAFT agent on the effectiveness of the control due to its fast transportation to the polymer particles during the initial period of polymerization after particle nucleation. As the presence of the polymer particles were essential for the transportation of the RAFT agents into the polymer dispersion, it was concluded that in an ab initio emulsion polymerization the transport of the hydrophobic RAFT agent only takes place after the nucleation and formation of the polymer particles. While the polymerization proceeds and the particles grow the rate of the transportation of the RAFT agent increases with conversion until the free monomer phase disappears. The degradation of the RAFT agent by addition of KPS initiator revealed unambigueous evidence on the mechanism of entry in heterophase polymerization. These results showed that even extremely hydrophilic primary radicals, such as sulfate ion radical stemming from the KPS initiator, can enter the polymer particles without necessarily having propagated and reached a certain chain length. Moreover, these results recommend the employment of azo-initiators instead of persulfates for the application in seeded heterophase polymerization with RAFT agents. The significant slower rate of transportation of the RAFT agent to the polymer particles when its solvent (styrene) was replaced with a more hydrophilic monomer (methyl methacrylate) lead to the conclusion that a complicated cooperative and competitive interplay of solubility parameters and interaction parameter with the particles exist, determining an effective transportation of the organic molecules to the polymer particles through the aqueous phase. The choice of proper solutions of even the most hydrophobic organic molecules can provide the opportunity of their sorption into the polymer particles. Examples to support this idea were given by loading the extremely stiff fluorescent molecule, pentacene, and very hydrophobic dye, Sudan IV, into the polymer particles. Finally, the first application of RAFT at room temperature heterophase polymerization is reported. The results show that the RAFT process is effective at ambient temperature; however, the rate of fragmentation is significantly slower. The elevation of the reaction temperature in the presence of the RAFT agent resulted in faster polymerization and higher molar mass, suggesting that the fragmentation rate coefficient and its dependence on the temperature is responsible for the observed retardation.
The Thesis is focused on the properties of self-organized nanostructures. Atomic and electronic properties of different systems have been investigated using methods of electron diffraction, scanning tunneling microscopy and photoelectron spectroscopy. Implementation of the STM technique (including design, construction, and tuning of the UHV experimental set-up) has been done in the framework of present work. This time-consuming work is reported to greater detail in the experimental part of this Thesis. The scientific part starts from the study of quantum-size effects in the electronic structure of a two-dimensional Ag film on the supporting substrate Ni(111). Distinct quantum well states in the sp-band of Ag were observed in photoelectron spectra. Analysis of thickness- and angle-dependent photoemission supplies novel information on the properties of the interface. For the first time the Ni(111) relative band gap was indirectly probed in the ground-state through the electronic structure of quantum well states in the adlayer. This is particularly important for Ni where valence electrons are strongly correlated. Comparison of the experiment with calculations performed in the formalism of the extended phase accumulation model gives the substrate gap which is fully consistent with the one obtained by ab-initio LDA calculations. It is, however, in controversy to the band structure of Ni measured directly by photoemission. These results lend credit to the simplest view of photoemission from Ni, assigning early observed contradictions between theory and experiments to electron correlation effects in the final state of photoemission. Further, nanosystems of lower dimensionality have been studied. Stepped surfaces W(331) and W(551) were used as one-dimensional model systems and as templates for self-organization of Au nanoclusters. Photon energy dependent photoemission revealed a surface resonance which was never observed before on W(110) which is the base plane of the terrace microsurfaces. The dispersion E(k) of this state measured on stepped W(331) and W(551) with angle-resolved photoelectron spectroscopy is modified by a strong umklapp effect. It appears as two parabolas shifted symmetrically relative to the microsurface normal by half of the Brillouin zone of the step superlattice. The reported results are very important for understanding of the electronic properties of low-dimensional nanostructures. It was also established that W(331) and W(551) can serve as templates for self-organization of metallic nanostructures. A combined study of electronic and atomic properties of sub-monolayer amounts of gold deposited on these templates have shown that if the substrate is slightly pre-oxidized and the temperature is elevated, then Au can alloy with the first monolayer of W. As a result, a nanostructure of uniform clusters of a surface alloy is produced all over the steps. Such clusters feature a novel sp-band in the vicinity of the Fermi level, which appears split into constant energy levels due to effects of lateral quantization. The last and main part of this work is devoted to large-scale reconstructions on surfaces and nanostructures self-assembled on top. The two-dimensional surface carbide W(110)/C-R(15x3) has been extensively investigated. Photoemission studies of quantum size effects in the electronic structure of this reconstruction, combined with an investigation of its surface geometry, lead to an advanced structural model of the carbide overlayer. It was discovered that W(110)/C-R(15x3) can control self-organization of adlayers into nanostructures with extremely different electronic and structural properties. Thus, it was established that at elevated temperature the R(15x3) superstructure controls the self-assembly of sub-monolayer amounts of Au into nm-wide nanostripes. Based on the results of core level photoemission, the R(15x3)-induced surface alloying which takes place between Au and W can be claimed as driving force of self-organization. The observed stripes exhibit a characteristic one-dimensional electronic structure with laterally quantized d-bands. Obviously, these are very important for applications, since dimensions of electronic devices have already stepped into the nm-range, where quantum-size phenomena must undoubtedly be considered. Moreover, formation of perfectly uniform molecular clusters of C60 was demonstrated and described in terms of the van der Waals formalism. It is the first experimental observation of two-dimensional fullerene nanoclusters with "magic numbers". Calculations of the cluster potentials using the static approach have revealed characteristic minima in the interaction energy. They are achieved for 4 and 7 molecules per cluster. The obtained "magic numbers" and the corresponding cluster structures are fully consistent with the results of the STM measurements.
Self-assembly of polymeric building blocks is a powerful tool for the design of novel materials and structures that combine different properties and may respond to external stimuli. In the past decades, most studies were focused on the self-assembly of amphiphilic diblock copolymers in solution. The dissolution of these block copolymers in a solvent selective for one block results mostly in the formation of micelles. The micellar structure of diblock copolymers is inherently limited to a homogeneous core surrounded by a corona, which keeps the micelle in solution. Thus, for drug-delivery applications, such structures only offer a single domain (the hydrophobic inner core) for drug entrapment. Whereas multicompartment micelles composed of a water-soluble shell and a segregated hydrophobic core are novel, interesting morphologies for applications in a variety of fields including medicine, pharmacy and biotechnology. The separated incompatible compartments of the hydrophobic core could enable the selective entrapment and release of various hydrophobic drugs while the hydrophilic shell would permit the stabilization of these nanostructures in physiological media. However, so far, the preparation and control of stable multicompartment micellar systems are in the first stages and the number of morphological studies concerning such micelles is rather low. Thus considerably little is known about their exact inner structures. In the present study, we concentrate on four different approaches for the preparation of multicompartment micelles by self-assembly in aqueous media. A similarity of all approaches was that hydrocarbon and fluorocarbon blocks were selected for all employed copolymers since such segments tend to be strongly incompatible, and thus favor the segregation into distinct domains. Our studies have shown that the self-assembly of the utilized copolymers in aqueous solution leads in three cases to the formation of multicompartment micelles. As expected the shape and size of the micelles depend on the molecular architecture and to some extent also on the way of preparation. These novel structured colloids may serve as models as well as mimics for biological structures such as globular proteins, and may open interesting opportunities for nanotechnology applications.
Natural and human induced environmental changes affect populations at different time scales. If they occur in a spatial heterogeneous way, they cause spatial variation in abundance. In this thesis I addressed three topics, all related to the question, how environmental changes influence population dynamics. In the first part, I analysed the effect of positive temporal autocorrelation in environmental noise on the extinction risk of a population, using a simple population model. The effect of autocorrelation depended on the magnitude of the effect of single catastrophic events of bad environmental conditions on a population. If a population was threatened by extinction only, when bad conditions occurred repeatedly, positive autocorrelation increased extinction risk. If a population could become extinct, even if bad conditions occurred only once, positive autocorrelation decreased extinction risk. These opposing effects could be explained by two features of an autocorrelated time series. On the one hand, positive autocorrelation increased the probability of series of bad environmental conditions, implying a negative effect on populations. On the other hand, aggregation of bad years also implied longer periods with relatively good conditions. Therefore, for a given time period, the overall probability of occurrence of at least one extremely bad year was reduced in autocorrelated noise. This can imply a positive effect on populations. The results could solve a contradiction in the literature, where opposing effects of autocorrelated noise were found in very similar population models. In the second part, I compared two approaches, which are commonly used for predicting effects of climate change on future abundance and distribution of species: a "space for time approach", where predictions are based on the geographic pattern of current abundance in relation to climate, and a "population modelling approach" which is based on correlations between demographic parameters and the inter-annual variation of climate. In this case study, I compared the two approaches for predicting the effect of a shift in mean precipitation on a population of the sociable weaver Philetairus socius, a common colonially living passerine bird of semiarid savannahs of southern Africa. In the space for time approach, I compared abundance and population structure of the sociable weaver in two areas with highly different mean annual precipitation. The analysis showed no difference between the two populations. This result, as well as the wide distribution range of the species, would lead to the prediction of no sensitive response of the species to a slight shift in mean precipitation. In contrast, the population modelling approach, based on a correlation between reproductive success and rainfall, predicted a sensitive response in most model types. The inconsistency of predictions was confirmed in a cross-validation between the two approaches. I concluded that the inconsistency was caused, because the two approaches reflect different time scales. On a short time scale, the population may respond sensitively to rainfall. However, on a long time scale, or in a regional comparison, the response may be compensated or buffered by a variety of mechanisms. These may include behavioural or life history adaptations, shifts in the interactions with other species, or differences in the physical environment. The study implies that understanding, how such mechanisms work, and at what time scale they would follow climate change, is a crucial precondition for predicting ecological consequences of climate change. In the third part of the thesis, I tested why colony sizes of the sociable weaver are highly variable. The high variation of colony sizes is surprising, as in studies on coloniality it is often assumed that an optimal colony size exists, in which individual bird fitness is maximized. Following this assumption, the pattern of bird dispersal should keep colony sizes near an optimum. However, I showed by analysing data on reproductive success and survival that for the sociable weaver fitness in relation to colony size did not follow an optimum curve. Instead, positive and negative effects of living in large colonies overlaid each other in a way that fitness was generally close to one, and density dependence was low. I showed in a population model, which included an evolutionary optimisation process of dispersal that this specific shape of the fitness function could lead to a dispersal strategy, where the variation of colony sizes was maintained.
This thesis is concerned with the solution of the blind source separation problem (BSS). The BSS problem occurs frequently in various scientific and technical applications. In essence, it consists in separating meaningful underlying components out of a mixture of a multitude of superimposed signals. In the recent research literature there are two related approaches to the BSS problem: The first is known as Independent Component Analysis (ICA), where the goal is to transform the data such that the components become as independent as possible. The second is based on the notion of diagonality of certain characteristic matrices derived from the data. Here the goal is to transform the matrices such that they become as diagonal as possible. In this thesis we study the latter method of approximate joint diagonalization (AJD) to achieve a solution of the BSS problem. After an introduction to the general setting, the thesis provides an overview on particular choices for the set of target matrices that can be used for BSS by joint diagonalization. As the main contribution of the thesis, new algorithms for approximate joint diagonalization of several matrices with non-orthogonal transformations are developed. These newly developed algorithms will be tested on synthetic benchmark datasets and compared to other previous diagonalization algorithms. Applications of the BSS methods to biomedical signal processing are discussed and exemplified with real-life data sets of multi-channel biomagnetic recordings.
Amphiphilic molecules contain a hydrophilic headgroup and a hydrophobic tail. The headgroup is polar or ionic and likes water, the tail is typically an aliphatic chain that cannot be accommodated in a polar environment. The prevailing molecular asymmetry leads to a spontaneous adsorption of amphiphiles at the air/water or oil/water interfaces. As a result, the surface tension and the surface rheology is changed. Amphiphiles are important tools to deliberately modify the interfacial properties of liquid interfaces and enable new phenomena such as foams which cannot be formed in a pure liquid. In this thesis we investigate the static and dynamic properties of adsorption layers of soluble amphiphiles at the air/water interface, the so called Gibbs monolayers. The classical way for an investigation of these systems is based on a thermodynamic analysis of the equilibrium surface tension as a function of the bulk composition in the framework of Gibbs theory. However, thermodynamics does not provide any structural information and several recent publications challenge even fundamental text book concepts. The experimental investigation faces difficulties imposed by the low surface coverage and the presence of dissolved amphiphiles in the adjacent bulk phase. In this thesis we used a suite of techniques with the sensitivity to detect less than a monolayer of molecules at the air-water interface. Some of these techniques are extremely complex such as infrared visible sum frequency generation (IR-VIS SFG) spectroscopy or second harmonic generation (SHG). Others are traditional techniques, such as ellipsometry employed in new ways and pushed to new limits. Each technique probes selectively different parts of the interface and the combination provides a profound picture of the interfacial architecture. The first part of the thesis is dedicated to the distribution of ions at interfaces. Adsorption layers of ionic amphiphiles serve as model systems allowing to produce a defined surface charge. The charge of the monolayer is compensated by the counterions. As a result of a complex zoo of interactions there will be a defined distribution of ions at the interface, however, its experimental determination is a big scientific challenge. We could demonstrate that a combination of linear and nonlinear techniques gives direct insights in the prevailing ion distribution. Our investigations reveal specific ion effects which cannot be described by classical Poisson-Boltzmann mean field type theories. Adsorption layer and bulk phase are in thermodynamic equilibrium, however, it is important to stress that there is a constant molecular exchange between adsorbed and dissolved species. This exchange process is a key element for the understanding of some of the thermodynamic properties. An excellent way to study Gibbs monolayers is to follow the relaxation from a non-equilibrium to an equilibrium state. Upon compression amphiphiles must leave the adsorption layer and dissolve in the adjacent bulk phase. Upon expansion amphiphiles must adsorb at the interface to restore the equilibrium coverage. Obviously the frequency of the expansion and compression cycles must match the molecular exchange processes. At too low frequencies the equilibrium is maintained at all times. If the frequency is too fast the system behaves as a monolayer of insoluble surfactants. In this thesis we describe an unique variant of an oscillating bubble technique that measures precisely the real and imaginary part of the complex dilational modulus E in a frequency range up to 500 Hz. The extension of about two decades in the time domain in comparison to the conventional method of an oscillating drop is a tremendous achievement. The imaginary part of the complex dilational modulus E is a consequence of a dissipative process which is interpreted as an intrinsic surface dilational viscosity. The IR-VIS SFG spectra of the interfacial water provide a molecular interpretation of the underlying dissipative process.
The interactions between peptides and lipids are of fundamental importance in the functioning of numerous membrane-mediated biochemical processes including antimicrobial peptide action, hormone-receptor interactions, drug bioavailability across the blood-brain barrier and viral fusion processes. Alteration of peptide structure could be a cause of many diseases. Biological membranes are complex systems, therefore simplified models may be introduced in order to understand processes occurring in nature. The lipid monolayers at the air/water interface are suitable model systems to mimic biological membranes since many parameters can be easily controlled. In the present work the lipid monolayers were used as a model membrane and their interactions with two different peptides B18 and Amyloid beta (1-40) peptide were investigated. B18 is a synthetic peptide that binds to lipid membranes that leads to the membrane fusion. It was demonstrated that it adopts different structures in the aqueous solutions and in the membrane interior. It is unstructured in solutions and forms alpha-helix at the air/water interface or in the membrane bound state. The peptide has affinity to the negatively charged lipids and even can fold into beta-sheet structure in the vicinity of charged membranes at high peptide to lipid ratio. It was elucidated that in the absence of electrostatic interactions B18 does not influence on the lipid structure, whereas it provides partial liquidization of the negatively charged lipids. The understanding of mechanism of the peptide action in model system may help to develop the new type of antimicrobial peptides as well as it can shed light on the general mechanisms of peptide/membrane binding. The other studied peptide - Amyloid beta (1-40) peptide, which is the major component of amyloid plaques found in the brain of patients with Alzheimer's disease. Normally the peptide is soluble and is not toxic. During aging or as a result of the disease it aggregates and shows a pronounced neurotoxicity. The peptide aggregation involves the conformational transition from a random coil or alpha-helix to beta-sheets. Recently it was demonstrated that the membrane can play a crucial role for the peptide aggregation and even more the peptide can cause the change in the cell membranes that leads to a neuron death. In the present studies the structure of the membrane bound Amyloid beta peptide was elucidated. It was found that the peptide adopts the beta-sheet structure at the air/water interface or being adsorbed on lipid monolayers, while it can form alpha-helical structure in the presence of the negatively charged vesicles. The difference between the monolayer system and the bulk system with vesicles is the peptide to lipid ratio. The peptide adopts the helical structure at low peptide to lipid ratio and folds into beta-sheet at high ratio. Apparently, Abeta peptide accumulation in the brain is concentration driven. Increasing concentration leads to a change in the lipid to peptide ratio that induces the beta-sheet formation. The negatively charged lipids can act as seeds in the plaque formation, the peptide accumulates on the membrane and when the peptide to lipid ratio increases it the peptide forms toxic beta-sheet containing aggregates.
We present an application of imprecise probability theory to the quantification of uncertainty in the integrated assessment of climate change. Our work is motivated by the fact that uncertainty about climate change is pervasive, and therefore requires a thorough treatment in the integrated assessment process. Classical probability theory faces some severe difficulties in this respect, since it cannot capture very poor states of information in a satisfactory manner. A more general framework is provided by imprecise probability theory, which offers a similarly firm evidential and behavioural foundation, while at the same time allowing to capture more diverse states of information. An imprecise probability describes the information in terms of lower and upper bounds on probability. For the purpose of our imprecise probability analysis, we construct a diffusion ocean energy balance climate model that parameterises the global mean temperature response to secular trends in the radiative forcing in terms of climate sensitivity and effective vertical ocean heat diffusivity. We compare the model behaviour to the 20th century temperature record in order to derive a likelihood function for these two parameters and the forcing strength of anthropogenic sulphate aerosols. Results show a strong positive correlation between climate sensitivity and ocean heat diffusivity, and between climate sensitivity and absolute strength of the sulphate forcing. We identify two suitable imprecise probability classes for an efficient representation of the uncertainty about the climate model parameters and provide an algorithm to construct a belief function for the prior parameter uncertainty from a set of probability constraints that can be deduced from the literature or observational data. For the purpose of updating the prior with the likelihood function, we establish a methodological framework that allows us to perform the updating procedure efficiently for two different updating rules: Dempster's rule of conditioning and the Generalised Bayes' rule. Dempster's rule yields a posterior belief function in good qualitative agreement with previous studies that tried to constrain climate sensitivity and sulphate aerosol cooling. In contrast, we are not able to produce meaningful imprecise posterior probability bounds from the application of the Generalised Bayes' Rule. We can attribute this result mainly to our choice of representing the prior uncertainty by a belief function. We project the Dempster-updated belief function for the climate model parameters onto estimates of future global mean temperature change under several emissions scenarios for the 21st century, and several long-term stabilisation policies. Within the limitations of our analysis we find that it requires a stringent stabilisation level of around 450 ppm carbon dioxide equivalent concentration to obtain a non-negligible lower probability of limiting the warming to 2 degrees Celsius. We discuss several frameworks of decision-making under ambiguity and show that they can lead to a variety of, possibly imprecise, climate policy recommendations. We find, however, that poor states of information do not necessarily impede a useful policy advice. We conclude that imprecise probabilities constitute indeed a promising candidate for the adequate treatment of uncertainty in the integrated assessment of climate change. We have constructed prior belief functions that allow much weaker assumptions on the prior state of information than a prior probability would require and, nevertheless, can be propagated through the entire assessment process. As a caveat, the updating issue needs further investigation. Belief functions constitute only a sensible choice for the prior uncertainty representation if more restrictive updating rules than the Generalised Bayes'Rule are available.
Adhesion of biological cells to their environment is mediated by two-dimensional clusters of specific adhesion molecules which are assembled in the plasma membrane of the cells. Due to the activity of the cells or external influences, these adhesion sites are usually subject to physical forces. In recent years, the influence of such forces on the stability of cellular adhesion clusters was increasingly investigated. In particular, experimental methods that were originally designed for the investigation of single bond rupture under force have been applied to investigate the rupture of adhesion clusters. The transition from single to multiple bonds, however, is not trivial and requires theoretical modelling. Rupture of biological adhesion molecules is a thermally activated, stochastic process. In this work, a stochastic model for the rupture and rebinding dynamics of clusters of parallel adhesion molecules under force is presented. In particular, the influence of (i) a constant force as it may be assumed for cellular adhesion clusters is investigated and (ii) the influence of a linearly increasing force as commonly used in experiments is considered. Special attention is paid to the force-mediated cooperativity of parallel adhesion bonds. Finally, the influence of a finite distance between receptors and ligands on the binding dynamics is investigated. Thereby, the distance can be bridged by polymeric linker molecules which tether the ligands to a substrate.
Nitrogen is an essential macronutrient for plants and nitrogen fertilizers are indispensable for modern agriculture. Unfortunately, we know too little about how plants regulate their use of soil nitrogen, to maximize fertilizers-N use by crops and pastures. This project took a dual approach, involving forward and reverse genetics, to identify N-regulators in plants, which may prove useful in the future to improve nitrogen-use efficiency in agriculture. To identify nitrogen-regulated transcription factor genes in Arabidopsis that may control N-use efficiency we developed a unique resource for qRT-PCR measurements on all Arabidpsis transcription factor genes. Using closely spaced, gene-specific primer pairs and SYBR® Green to monitor amplification of double-stranded DNA, transcript levels of 83% of all target genes could be measured in roots or shoots of young Arabidopsis wild-type plants. Only 4% of reactions produced non-specific PCR products, and 13% of TF transcripts were undetectable in these organs. Measurements of transcript abundance were quantitative over six orders of magnitude, with a detection limit equivalent to one transcript molecule in 1000 cells. Transcript levels for different TF genes ranged between 0.001-100 copies per cell. Real-time RT-PCR revealed 26 root-specific and 39 shoot-specific TF genes, most of which have not been identified as organ-specific previously. An enlarged and improved version of the TF qRT-PCR platform contains now primer pairs for 2256 Arabidopsis TF genes, representing 53 gene families and sub-families arrayed on six 384-well plates. Set-up of real-time PCR reactions is now fully robotized. One researcher is able to measure expression of all 2256 TF genes in a single biological sample in a just one working day. The Arabidopsis qRT-PCT platform was successfully used to identify 37 TF genes which transcriptionaly responded at the transcriptional level to N-deprivation or to nitrate per se. Most of these genes have not been characterized previously. Further selection of TF genes based on the responses of selected candidates to other macronutrients and abiotic stresses allowed to distinguish between TFs regulated (i) specifically by nitrogen (29 genes) (ii) regulated by general macronutrient or by salt and osmotic stress (6 genes), and (iii) responding to all major macronutrients and to abiotic stresses. Most of the N-regulated TF genes were also regulated by carbon. Further characterization of sixteen selected TF genes, revealed: (i) lack of transcriptional response to organic nitrogen, (ii) two major types of kinetics of induction by nitrate, (iii) specific responses for the majority of the genes to nitrate but not downstream products of nitrate assimilation. All sixteen TF genes were cloned into binary vectors for constitutive and ethanol inducible over expression, and the first generation of transgenic plants were obtained for almost all of them. Some of the plants constitutively over expressing TF genes under control of the 35S promoter revealed visible phenotypes in T1 generation. Homozygous T-DNA knock out lines were also obtained for many of the candidate TF genes. So far, one knock out line revealed a visible phenotype: retardation of flowering time. A forward genetic approach using an Arabidopsis ATNRT2.1 promoter : Luciferase reporter line, resulted in identification of eleven EMS mutant reporter lines affected in induction of ATNRT2.1 expression by nitrate. These lines could by divided in the following classes according to expression of other genes involved in primary nitrogen and carbon metabolism: (i) lines affected exclusively in nitrate transport, (ii) those affected in nitrate transport, acquisition, but also in glycolysis and oxidative pentose pathway, (iii) mutants affected moderately in nitrate transport, oxidative pentose pathway and glycolysis but not in primary nitrate assimilation. Thus, several different N-regulatory genes may have been mutated in this set of mutants. Map-based cloning has begun to identify the genes affected in these mutants.
In this thesis, we give two constructions for Riemannian metrics on Seiberg-Witten moduli spaces. Both these constructions are naturally induced from the L2-metric on the configuration space. The construction of the so called quotient L2-metric is very similar to the one construction of an L2-metric on Yang-Mills moduli spaces as given by Groisser and Parker. To construct a Riemannian metric on the total space of the Seiberg-Witten bundle in a similar way, we define the reduced gauge group as a subgroup of the gauge group. We show, that the quotient of the premoduli space by the reduced gauge group is isomorphic as a U(1)-bundle to the quotient of the premoduli space by the based gauge group. The total space of this new representation of the Seiberg-Witten bundle carries a natural quotient L2-metric, and the bundle projection is a Riemannian submersion with respect to these metrics. We compute explicit formulae for the sectional curvature of the moduli space in terms of Green operators of the elliptic complex associated with a monopole. Further, we construct a Riemannian metric on the cobordism between moduli spaces for different perturbations. The second construction of a Riemannian metric on the moduli space uses a canonical global gauge fixing, which represents the total space of the Seiberg-Witten bundle as a finite dimensional submanifold of the configuration space. We consider the Seiberg-Witten moduli space on a simply connected Käuhler surface. We show that the moduli space (when nonempty) is a complex projective space, if the perturbation does not admit reducible monpoles, and that the moduli space consists of a single point otherwise. The Seiberg-Witten bundle can then be identified with the Hopf fibration. On the complex projective plane with a special Spin-C structure, our Riemannian metrics on the moduli space are Fubini-Study metrics. Correspondingly, the metrics on the total space of the Seiberg-Witten bundle are Berger metrics. We show that the diameter of the moduli space shrinks to 0 when the perturbation approaches the wall of reducible perturbations. Finally we show, that the quotient L2-metric on the Seiberg-Witten moduli space on a Kähler surface is a Kähler metric.
Diagenetic studies of carbonate rocks focused for a long time on photozoan carbonate assemblages deposited in tropical climates. The results of these investigations were taken as models for the diagenetic evolution of many fossil carbonates. Only in recent years the importance of heterozoan carbonates, generally formed out of the tropics or in deeper waters, was realized. Diagenetic studies focusing on this kind of rocks are still scarce, but indicate that the diagenetic evolution of these rocks might be a better model for many fossil carbonate settings ("calcite-sea" carbonates) than the photozoan model used before. This study deals with the determination of the diagenetic pathways and environments in such shallow-water heterozoan carbonate assemblages. Special emphasis is put on the identification of early, near-seafloor diagenetic processes and on the evaluation of the amount of constructive diagenesis in form of cementation in this diagenetic environment. As study area the Central Mediterranean, the Maltese Islands and Sicily, was chosen. Here two sections were logged in Olio-Miocene shallow-water carbonates consisting of different kinds of heterozoan assemblages. The study area is very suitable for the investigation of constructive early diagenetic processes, as the rocks were never deeply buried and burial diagenetic pressure solution and cementation as cause of lithification could be ruled out. Nevertheless, the carbonate rocks are well lithified and form steep cliffs, implying cementation/lithification in another, shallower diagenetic environment. To determine the diagenetic pathways and environments, detailed transmitted light and cathodoluminescence petrography was carried out on thin sections. Furthermore the stable isotope (δ<sup>18O and δ<sup>13C) composition of the bulk rock, single biota and single cement phases was determined, as well as the major and trace element composition of the single cement phases. Petrographically three (Sicily) to four (Maltese Islands) cementation phases, two phases of fabric selective and one of non-fabric selective dissolution, one phase of neomorphism and one of chemical compaction could be distinguished. The stable isotope measurements of the single cement phases pointed to cement precipitation from marine, marine-derived and meteoric waters. The trace element analysis indicated precipitation under reducing conditions, (A) in an open system with low rock-water interaction on the Maltese Islands and (B) in a closed system with high rock-water interaction on Sicily. For the closed systems case, aragonite as cement source could be concluded because its chemical composition was preserved in the newly formed cements. By integrating these results, diagenetic pathways and environments for the investigated locations were established, and the cement source(s) in the different environments were determined. The diagenetic evolution started in the marine environment with the precipitation of fibrous/fibrous-bladed and epitaxial cement I. These cements formed as High Mg Calcite (HMC) directly out of marine waters. The paleoenvironmentally shallowest part of the section on the Maltese Islands was also exposed to meteoric diagenetic fluids. This meteoric influence lead to the dissolution of aragonitic and HMC skeletons, which sourced the cementation by Low Mg Calcitic (LMC) epitaxial cement II in this part of the Maltese section. Entering the burial-marine environment the main part of dissolution, cementation and neomorphism started to take place. The elevated CO2 content in this environment, caused by the decay of organic matter, lead to the dissolution of aragonitic skeletons, which sourced the cementation by LMC epitaxial cement II, bladed and blocky cements. The earlier precipitated HMC cement phases were either partly dissolved (epitaxial cement I) or neomorphosed to LMC (fibrous/fibrous-bladed and epitaxial cement I). In the burial environment weak chemical compaction took place without sourcing significant amounts of cementation. In a last phase the rocks entered the meteoric realm by uplift, which caused non-fabric selective dissolution. This study shows that early diagenetic processes, taking place at or just below the sediment-water-interface, are very important for the mineralogical stabilization of heterozoan carbonate strata. The main amount of constructive diagenesis in form of cementation takes place in this environment, sourced by dissolution of aragonitic and, to a lesser degree, of HMC skeletons. The results of this study imply that the primary amount of aragonitic skeletons in heterozoan carbonate sediments must be carefully assessed, as they are the main early diagenetic cement source. In fossil heterozoan carbonate rocks, aragonitic skeletons might be the cement source even when no relict structures like micritic envelops or biomolds are preserved. In general, the diagenetic evolution of heterozoan carbonate rocks is a good model for the diagenesis of "calcite-sea" time carbonate rocks.
Stochastic information, to be understood as "information gained by the application of stochastic methods", is proposed as a tool in the assessment of changes in climate. This thesis aims at demonstrating that stochastic information can improve the consideration and reduction of uncertainty in the assessment of changes in climate. The thesis consists of three parts. In part one, an indicator is developed that allows the determination of the proximity to a critical threshold. In part two, the tolerable windows approach (TWA) is extended to a probabilistic TWA. In part three, an integrated assessment of changes in flooding probability due to climate change is conducted within the TWA. The thermohaline circulation (THC) is a circulation system in the North Atlantic, where the circulation may break down in a saddle-node bifurcation under the influence of climate change. Due to uncertainty in ocean models, it is currently very difficult to determine the distance of the THC to the bifurcation point. We propose a new indicator to determine the system's proximity to the bifurcation point by considering the THC as a stochastic system and using the information contained in the fluctuations of the circulation around the mean state. As the system is moved closer to the bifurcation point, the power spectrum of the overturning becomes "redder", i.e. more energy is contained in the low frequencies. Since the spectral changes are a generic property of the saddle-node bifurcation, the method is not limited to the THC, but it could also be applicable to other systems, e.g. transitions in ecosystems. In part two, a probabilistic extension to the tolerable windows approach (TWA) is developed. In the TWA, the aim is to determine the complete set of emission strategies that are compatible with so-called guardrails. Guardrails are limits to impacts of climate change or to climate change itself. Therefore, the TWA determines the "maneuvering space" humanity has, if certain impacts of climate change are to be avoided. Due to uncertainty it is not possible to definitely exclude the impacts of climate change considered, but there will always be a certain probability of violating a guardrail. Therefore the TWA is extended to a probabilistic TWA that is able to consider "probabilistic uncertainty", i.e. uncertainty that can be expressed as a probability distribution or uncertainty that arises through natural variability. As a first application, temperature guardrails are imposed, and the dependence of emission reduction strategies on probability distributions for climate sensitivities is investigated. The analysis suggests that it will be difficult to observe a temperature guardrail of 2°C with high probabilities of actually meeting the target. In part three, an integrated assessment of changes in flooding probability due to climate change is conducted. A simple hydrological model is presented, as well as a downscaling scheme that allows the reconstruction of the spatio-temporal natural variability of temperature and precipitation. These are used to determine a probabilistic climate impact response function (CIRF), a function that allows the assessment of changes in probability of certain flood events under conditions of a changed climate. The assessment of changes in flooding probability is conducted in 83 major river basins. Not all floods can be considered: Events that either happen very fast, or affect only a very small area can not be considered, but large-scale flooding due to strong longer-lasting precipitation events can be considered. Finally, the probabilistic CIRFs obtained are used to determine emission corridors, where the guardrail is a limit to the fraction of world population that is affected by a predefined shift in probability of the 50-year flood event. This latter analysis has two main results. The uncertainty about regional changes in climate is still very high, and even small amounts of further climate change may lead to large changes in flooding probability in some river systems.
The multidrug and toxic compounds extrusion (MATE) family includes hundreds of functionally uncharacterised proteins from bacteria and all eukaryotic kingdoms except the animal kingdom, that function as drug/toxin::Na<sup>+ or H<sup>+ antiporters. In Arabidopsis thaliana the MATE family comprises 56 members, one of which is NIC2 (Novel Ion Carrier 2). Using heterologous expression systems including Escherichia coli and Saccharomyces cerevisiae, and the homologous expression system of Arabidopsis thaliana, the functional characterisation of NIC2 was performed. It has been demonstrated that NIC2 confers resistance of E. coli towards the chemically diverse compounds such as tetraethylammonium chloride (TEACl), tetramethylammonium chloride (TMACl) and a toxic analogue of indole-3-acetic acid, 5-fluoro-indole-acetic acid (F-IAA). Therefore, NIC2 may be able to transport a broad range of drug and toxic compounds. In wild-type yeast the expression of NIC2 increased the tolerance towards lithium and sodium, but not towards potassium and calcium. In A. thaliana, the overexpression of NIC2 led to strong phenotypic changes. Under normal growth condtions overexpression caused an extremely bushy phenotype with no apical dominance but an enhanced number of lateral flowering shoots. The amount of rossette leaves and flowers with accompanying siliques were also much higher than in wild-type plants and the senescence occurred earlier in the transgenic plants. In contrast, RNA interference (RNAi) used to silence NIC2 expression, induced early flower stalk development and flowering compared with wild-type plants. In additon, the main flower stalks were not able to grow vertically, but instead had a strong tendency to bend towards the ground. While NIC2 RNAi seedlings produced many lateral roots outgrowing from the primary root and the root-shoot junction, NIC2 overexpression seedlings displayed longer primary roots that were characterised by a 2 to 4 h delay in the gravitropic response. In addition, these lines exhibited an enhanced resistance to exogenously applied auxins, i.e. indole-3-acetic acid (IAA) and indole-3-butyric acid (IBA) when compared with the wild-type roots. Based on these results, it is suggested that the NIC2 overexpression and NIC2 RNAi phenotypes were due to decreased or increased levels of auxin, respectively. The ProNIC2:GUS fusion gene revealed that NIC2 is expressed in the stele of the elongation zone, in the lateral root cap, in new lateral root primordia, and in pericycle cells of the root system. In the vascular tissue of rosette leaves and inflorescence stems, the expression was observed in the xylem parenchyma cells, while in siliques it was also in vascular tissue, but as well in the dehiscence and abscission zones. The organ- and tissue-specific expression sites of NIC2 correlate with the sites of auxin action in mature Arabidopsis plants. Further experiments using ProNIC2:GUS indicated that NIC2 is an auxin-inducible gene. Additionally, during the gravitropic response when an endogenous auxin gradient across the root tip forms, the GUS activity pattern of the ProNIC2:GUS fusion gene markedly changed at the upper side of the root tip, while at the lower side stayed unchanged. Finally, at the subcellular level NIC2-GFP fusion protein localised in the peroxisomes of Nicotana tabacum BY2 protoplasts. Considering the experimental results, it is proposed that the hypothetical function of NIC2 is the efflux transport which takes part in the auxin homeostasis in plant tissues probably by removing auxin conjugates from the cytoplasm into peroxisomes.
The protection of species is one major focus in conservation biology. The basis for any management concept is the knowledge of the species autecology. In my thesis, I studied the life-history traits and population dynamics of the endangered Lesser Spotted Woodpecker (Picoides minor) in Central Europe. Here, I combine a range of approaches, from empirical investigations of a Lesser Spotted Woodpecker population in the Taunus low mountain range in Germany, the analysis of empirical data and the development of an individual-based stochastic model simulating the population dynamics. In the field studies I collected basic demographic data of reproductive success and mortality. Moreover, breeding biology and behaviour were investigated in detail. My results showed a significant decrease of the reproductive success with later timing of breeding, caused by deterioration in food supply. Moreover, mate fidelity was of benefit, since pairs composed of individuals that bred together the previous year started earlier with egg laying and obtained a higher reproductive success. Both sexes were involved in parental care, but the care was only shared equally during incubation and the early nestling stage. In the late nestling stage, parental care strategies differed between sexes: Females considerably decreased feeding rate with number of nestlings and even completely deserted small broods. Males fed their nestlings irrespective of brood size and compensated for the females absence. The organisation of parental care in the Lesser Spotted Woodpecker is discussed to provide the possibility for females to mate with two males with separate nests and indeed, polyandry was confirmed. To investigate the influence of the observed flexibility in the social mating system on the population persistence, a stochastic individual-based model simulating the population dynamics of the Lesser Spotted Woodpecker was developed, based on empirical results. However, pre-breeding survival rates could not be obtained empirically and I present in this thesis a pattern-oriented modelling approach to estimate pre-breeding survival rates by comparing simulation results with empirical pattern of population structure and reproductive success on population level. Here, I estimated the pre-breeding survival for two Lesser Spotted Woodpecker populations on different latitudes to test the reliability of the results. Finally, I used the same simulation model to investigate the effect of flexibility in the mating system on the persistence of the population. With increasing rate of polyandry in the population, the persistence increased and even low rates of polyandry had a strong influence. Even when presuming only a low polyandry rate and costs of polyandry in terms of higher mortality and lower reproductive success for the secondary male, the positive effect of polyandry on the persistence of the population was still strong. This thesis greatly helped to increase the knowledge of the autecology of an endangered woodpecker species. Beyond the relevance for the species, I could demonstrate here that in general flexibility in mating systems are buffer mechanisms and reduce the impact of environmental and demographic noise.
Origin and symmetry of the observed global magnetic fields in galaxies are not fully understood. We intend to clarify the question of the magnetic field origin and investigate the global action of the magneto-rotational instability (MRI) in galactic disks with the help of 3D global magneto-hydrodynamical (MHD) simulations. The calculations were done with the time-stepping ZEUS 3D code using massive parallelization. The alpha-Omega dynamo is known to be one of the most efficient mechanisms to reproduce the observed global galactic fields. The presence of strong turbulence is a pre-requisite for the alpha-Omega dynamo generation of the regular magnetic fields. The observed magnitude and spatial distribution of turbulence in galaxies present unsolved problems to theoreticians. The MRI is known to be a fast and powerful mechanism to generate MHD turbulence and to amplify magnetic fields. We find that the critical wavelength increases with the increasing of magnetic fields during the simulation, transporting the energy from critical to larger scales. The final structure, if not disrupted by supernovae explosions, is the structure of `thin layers' of thickness of about 100 pcs. An important outcome of all simulations is the magnitude of the horizontal components of the Reynolds and Maxwell stresses. The result is that the MRI-driven turbulence is magnetic-dominated: its magnetic energy exceeds the kinetic energy by a factor of 4. The Reynolds stress is small and less than 1% of the Maxwell stress. The angular momentum transport is thus completely dominated by the magnetic field fluctuations. The volume-averaged pitch angle is always negative with a magnitude of about -30. The non-saturated MRI regime is lasting sufficiently long to fill the time between the galactic encounters, independently of strength and geometry of the initial field. Therefore, we may claim the observed pitch angles can be due to MRI action in the gaseous galactic disks. The MRI is also shown to be a very fast instability with e-folding time proportional to the time of one rotation. Steep rotation curves imply a stronger growth for the magnetic energy due to MRI. The global e-folding time is from 44 Myr to 100 Myr depending on the rotation profile. Therefore, MRI can explain the existence of rather large magnetic field in very young galaxies. We also have reproduced the observed rms values of velocities in the interstellar turbulence as it was observed in NGC 1058. We have shown with the simulations that the averaged velocity dispersion of about 5 km/s is a typical number for the MRI-driven turbulence in galaxies, which agrees with observations. The dispersion increases outside of the disk plane, whereas supernovae-driven turbulence is found to be concentrated within the disk. In our simulations the velocity dispersion increases a few times with the heights. An additional support to the dynamo alpha-effect in the galaxies is the ability of the MRI to produce a mix of quadrupole and dipole symmetries from the purely vertical seed fields, so it also solves the seed-fields problem of the galactic dynamo theory. The interaction of magneto-rotational instability and random supernovae explosions remains an open question. It would be desirable to run the simulation with the supernovae explosions included. They would disrupt the calm ring structure produced by global MRI, may be even to the level when we can no longer blame MRI to be responsible for the turbulence.
Mesoporous organosilica materials with amine functions : surface characteristics and chirality
(2005)
In this work mesoporous organisilica materials are synthesized through the silica sol-gel process. For this a new class of precursors which are also surfactant are synthesized and self-assembled. This leads to a high surface area functionality which is analysized with copper (II) and water adsorption.
During this PhD project three technical platforms were either improved or newly established in order to identify interesting genes involved in SNF, validate their expression and functionally characterise them. An existing 5.6K cDNA array (Colebatch et al., 2004) was extended to produce the 9.6K LjNEST array, while a second array, the 11.6K LjKDRI array, was also produced. Furthermore, the protocol for array hybridisation was substantially improved (Ott et al., in press). After functional classification of all clones according to the MIPS database and annotation of their corresponding tentative consensus sequence (TIGR) these cDNA arrays were used by several international collaborators and by our group (Krusell et al., 2005; in press). To confirm results obtained from the cDNA array analysis different sets of cDNA pools were generated that facilitate rapid qRT-PCR analysis of candidate gene expression. As stable transformation of Lotus japonicus takes several months, an Agrobacterium rhizogenes transformation system was established in the lab and growth conditions for screening transformants for symbiotic phenotypes were improved. These platforms enable us to identify genes, validate their expression and functionally characterise them in the minimum of time. The resources that I helped to establish, were used in collaboration with other people to characterise several genes like the potassium transporter LjKup and the sulphate transporter LjSst1, that were transcriptionally induced in nodules compared to uninfected roots, in more detail (Desbrosses et al., 2004; Krusell et al., 2005). Another gene that was studied in detail was LjAox1. This gene was identified during cDNA array experiments and detailed expression analysis revealed a strong and early induction of the gene during nodulation with high expression in young nodules which declines with the age of the nodule. Therefore, LjAox1 is an early nodulin. Promoter:gus fusions revealed an LjAox1 expression around the nodule endodermis. The physiological role of LjAox1 is currently being persued via RNAi. Using RNA interference, the synthesis of all symbiotic leghemoglobins was silenced simultaneously in Lotus japonicus. As a result, growth of LbRNAi lines was severely inhibited compared to wild-type plants when plants were grown under symbiotic conditions in the absence of mineral nitrogen. The nodules of these plants were arrested in growth 14 post inoculation and lacked the characteristic pinkish colour. Growing these transgenic plants in conditions where reduced nitrogen is available for the plant led to normal plant growth and development. This demonstrates that leghemoglobins are not required for plant development per se, and proves for the first time that leghemoglobins are indispensable for symbiotic nitrogen fixation. Absence of leghemoglobins in LbRNAi nodules led to significant increases in free-oxygen concentrations throughout the nodules, a decrease in energy status as reflected by the ATP/ADP ratio, and an absence of the bacterial nitrogenase protein. The bacterial population within nodules of LbRNAi plants was slightly reduced. Alterations of plant nitrogen and carbon metabolism in LbRNAi nodules was reflected in changes in amino acid composition and starch deposition (Ott et al., 2005). These data provide strong evidence that nodule leghemoglobins function as oxygen transporters that facilitate high flux rates of oxygen to the sites of respiration at low free oxygen concentrations within the infected cells.
Wetting and phase transitions play a very important role our daily life. Molecularly thin films of long-chain alkanes at solid/vapour interfaces (e.g. C30H62 on silicon wafers) are very good model systems for studying the relation between wetting behaviour and (bulk) phase transitions. Immediately above the bulk melting temperature the alkanes wet partially the surface (drops). In this temperature range the substrate surface is covered with a molecularly thin ordered, solid-like alkane film ("surface freezing"). Thus, the alkane melt wets its own solid only partially which is a quite rare phenomenon in nature. The thesis treats about how the alkane melt wets its own solid surface above and below the bulk melting temperature and about the corresponding melting and solidification processes. Liquid alkane drops can be undercooled to few degrees below the bulk melting temperature without immediate solidification. This undercooling behaviour is quite frequent and theoretical quite well understood. In some cases, slightly undercooled drops start to build two-dimensional solid terraces without bulk solidification. The terraces grow radially from the liquid drops on the substrate surface. They consist of few molecular layers with the thickness multiple of all-trans length of the molecule. By analyzing the terrace growth process one can find that, both below and above the melting point, the entire substrate surface is covered with a thin film of mobile alkane molecules. The presence of this film explains how the solid terrace growth is feeded: the alkane molecules flow through it from the undercooled drops to the periphery of the terrace. The study shows for the first time the coexistence of a molecularly thin film ("precursor") with partially wetting bulk phase. The formation and growth of the terraces is observed only in a small temperature interval in which the 2D nucleation of terraces is more likely than the bulk solidification. The nucleation mechanisms for 2D solidification are also analyzed in this work. More surprising is the terrace behaviour above bulk the melting temperature. The terraces can be slightly overheated before they melt. The melting does not occur all over the surface as a single event; instead small drops form at the terrace edge. Subsequently these drops move on the surface "eating" the solid terraces on their way. By this they grow in size leaving behind paths from were the material was collected. Both overheating and droplet movement can be explained by the fact that the alkane melt wets only partially its own solid. For the first time, these results explicitly confirm the supposed connection between the absence of overheating in solid and "surface melting": the solids usually start to melt without an energetic barrier from the surface at temperatures below the bulk melting point. Accordingly, the surface freezing of alkanes give rise of an energetic barrier which leads to overheating.
In an experimental study the attempt was made to examine the effects of the Reciprocal Teaching method on measures of metacognition and try to identify the effective features of this method that are necessary for the learning gains to occur. Reciprocal Teaching, originally developed by Palincsar and Brown (1984), is a very successful training program which was designed to improve student's reading comprehension skills by teaching them reading strategies. In the present study the tasks and responsibilities assumed by 5thgrade elementary students (N = 55) participating in a 16-session reading strategy training were varied systematically. Not only the students who participated in the training program in one of the three experimental conditions were compared with respect to knowledge and performance measures, but there was also a comparison to their control classmates who did not participate in strategy training (N = 86). Detailed analyses of video-taped sessions provided additional information. The strategy training was most beneficial for measures of knowledge and performance more closely related to the content of the training program, namely knowledge about specific reading strategies taught in training and application of those strategies. No significant effects were observed for more distal measures (general strategy knowledge, reading comprehension). As for the features of the program, it could be shown that students of the two experimental conditions where the students were responsible for giving each other feedback on performance (with respect to both content and strategy application) and guiding the correction of the answer outperformed both the experimental condition in which the trainer was responsible for those tasks and the control group. It is concluded that it is not merely the application of strategies, but the combination of strategy application with concurrent teaching and learning of metacognitive acquisition procedures (analysis, monitoring, evaluation, and regulation) in an inter-individual way as the precedent of these processes occurring intra-individually that seems to be an efficient way of acquiring metacognitive knowledge and skills. It was also shown that strategy training does not necessarily have to include the precise kind of interaction that characterizes the Reciprocal Teaching method. Instead, the tasks of monitoring, evaluating, and regulating other children's learning processes - i.e., tasks associated with the "teacher role" - are the ones that promote the acquisition of metacognitive knowledge and skills. Generally, any strategy training program that not only provides children with plentiful opportunities for practice, but also prompts them to engage in these kinds of metacognitive processes, may help children to acquire metacognitive knowledge and skills.
At present, carbon sequestration in terrestrial ecosystems slows the growth rate of atmospheric CO2 concentrations, and thereby reduces the impact of anthropogenic fossil fuel emissions on the climate system. Changes in climate and land use affect terrestrial biosphere structure and functioning at present, and will likely impact on the terrestrial carbon balance during the coming decades - potentially providing a positive feedback to the climate system due to soil carbon releases under a warmer climate. Quantifying changes, and the associated uncertainties, in regional terrestrial carbon budgets resulting from these effects is relevant for the scientific understanding of the Earth system and for long-term climate mitigation strategies. A model describing the relevant processes that govern the terrestrial carbon cycle is a necessary tool to project regional carbon budgets into the future. This study (1) provides an extensive evaluation of the parameter-based uncertainty in model results of a leading terrestrial biosphere model, the Lund-Potsdam-Jena Dynamic Global Vegetation Model (LPJ-DGVM), against a range of observations and under climate change, thereby complementing existing studies on other aspects of model uncertainty; (2) evaluates different hypotheses to explain the age-related decline in forest growth, both from theoretical and experimental evidence, and introduces the most promising hypothesis into the model; (3) demonstrates how forest statistics can be successfully integrated with process-based modelling to provide long-term constraints on regional-scale forest carbon budget estimates for a European forest case-study; and (4) elucidates the combined effects of land-use and climate changes on the present-day and future terrestrial carbon balance over Europe for four illustrative scenarios - implemented by four general circulation models - using a comprehensive description of different land-use types within the framework of LPJ-DGVM. This study presents a way to assess and reduce uncertainty in process-based terrestrial carbon estimates on a regional scale. The results of this study demonstrate that simulated present-day land-atmosphere carbon fluxes are relatively well constrained, despite considerable uncertainty in modelled net primary production. Process-based terrestrial modelling and forest statistics are successfully combined to improve model-based estimates of vegetation carbon stocks and their change over time. Application of the advanced model for 77 European provinces shows that model-based estimates of biomass development with stand age compare favourably with forest inventory-based estimates for different tree species. Driven by historic changes in climate, atmospheric CO2 concentration, forest area and wood demand between 1948 and 2000, the model predicts European-scale, present-day age structure of forests, ratio of biomass removals to increment, and vegetation carbon sequestration rates that are consistent with inventory-based estimates. Alternative scenarios of climate and land-use change in the 21<sup>st century suggest carbon sequestration in the European terrestrial biosphere during the coming decades will likely be on magnitudes relevant to climate mitigation strategies. However, the uptake rates are small in comparison to the European emissions from fossil fuel combustion, and will likely decline towards the end of the century. Uncertainty in climate change projections is a key driver for uncertainty in simulated land-atmosphere carbon fluxes and needs to be accounted for in mitigation studies of the terrestrial biosphere.
Vitamin E : elucidation of the mechanism of side chain degradation and gene regulatory functions
(2005)
For more than 80 years vitamin E has been in the focus of scientific research. Most of the progress concerning non-antioxidant functions, nevertheless, has only arisen from publications during the last decade. Most recently, the metabolic pathway of vitamin E has been almost completely elucidated. Vitamin E is metabolized by truncation of its side chain. The initial step of an omega-hydroxylation is carried out by cytochromes P450 (CYPs). This was evidenced by the inhibition of the metabolism of alpha-tocopherol by ketoconozole, an inhibitor of CYP3A expression, whereas rifampicin, an inducer of CYP3A expression increased the metabolism of alpha-tocopherol. Although the degradation pathway is identical for all tocopherols and tocotrienols, there is a marked difference in the amount of the release of metabolites from the individual vitamin E forms in cell culture as well as in experimental animals and in humans. Recent findings not only proposed an CYP3A4-mediated degradation of vitamin E but also suggested an induction of the metabolizing enzymes by vitamin E itself. In order to investigate how vitamin E is able to influence the expression of metabolizing enzymes like CYP3A4, a pregnane X receptor (PXR)-based reporter gene assay was chosen. PXR is a nuclear receptor which regulates the transcription of genes, e.g., CYP3A4, by binding to specific DNA response elements. And indeed, as shown here, vitamin E is able to influence the expression of CYP3A via PXR in an in vitro reporter gene assay. Tocotrienols showed the highest activity followed by delta- and alpha-tocopherol. An up-regulation of Cyp3a11 mRNA, the murine homolog of the human CYP3A4, could also be confirmed in an animal experiment. The PXR-mediated change in gene expression displayed the first evidence of a direct transcriptional activity of vitamin E. PXR regulates the expression of genes involved in xenobiotic detoxification, including oxidation, conjugation, and transport. CYP3A, e.g., is involved in the oxidative metabolism of numerous currently used drugs. This opens a discussion of possible side effects of vitamin E, but the extent to which supranutritional doses of vitamin E modulate these pathways in humans has yet to be determined. Additionally, as there is arising evidence that vitamin E's essentiality is more likely to be based on gene regulation than on antioxidant functions, it appeared necessary to further investigate the ability of vitamin E to influence gene expression. Mice were divided in three groups with diets (i) deficient in alpha-tocopherol, (ii) adequate in alpha-tocopherol supply and (iii) with a supranutritional dosage of alpha-tocopherol. After three months, half of each group was supplemented via a gastric tube with a supranutritional dosage of gamma-tocotrienol per day for 7 days. Livers were analyzed for vitamin E content and liver RNA was prepared for hybridization using cDNA array and oligonucleotide array technology. A significant change in gene expression was observed by alpha-tocopherol but not by gamma-tocotrienol and only using the oligonucleotide array but not using the cDNA array. The latter effect is most probably due to the limited number of genes represented on a cDNA array, the lacking gamma-tocotrienol effect is obviously caused by a rapid degradation, which might prevent bioefficacy of gamma-tocotrienol. Alpha-tocopherol changed the expression of various genes. The most striking observation was an up-regulation of genes, which code for proteins involved in synaptic transmitter release and calcium signal transduction. Synapsin, synaptotagmin, synaptophysin, synaptobrevin, RAB3A, complexin 1, Snap25, ionotropic glutamate receptors (alpha 2 and zeta 1) were shown to be up-regulated in the supranutritional group compared to the deficient group. The up-regulation of synaptic genes shown in this work are not only supported by the strong concentration of genes which all are involved in the process of vesicular transport of neurotransmitters, but were also confirmed by a recent publication. However, a confirmation by real time PCR in neuronal tissue like brain is now required to explain the effect of vitamin E on neurological functionality. The change in expression of genes coding for synaptic proteins by vitamin E is of principal interest thus far, since the only human disease directly originating from an inadequate vitamin E status is ataxia with isolated vitamin E deficiency. Therefore, with the results of this work, an explanation for the observed neurological symptoms associated with vitamin E deficiency can be presented for the first time.
Interpretation of and reasoning with conditionals : probabilities, mental models, and causality
(2003)
In everyday conversation "if" is one of the most frequently used conjunctions. This dissertation investigates what meaning an everyday conditional transmits and what inferences it licenses. It is suggested that the nature of the relation between the two propositions in a conditional might play a major role for both questions. Thus, in the experiments reported here conditional statements that describe a causal relationship (e.g., "If you touch that wire, you will receive an electric shock") were compared to arbitrary conditional statements in which there is no meaningful relation between the antecedent and the consequent proposition (e.g., "If Napoleon is dead, then Bristol is in England"). Initially, central assumptions from several approaches to the meaning and the reasoning from causal conditionals will be integrated into a common model. In the model the availability of exceptional situations that have the power to generate exceptions to the rule described in the conditional (e.g., the electricity is turned off), reduces the subjective conditional probability of the consequent, given the antecedent (e.g., the probability of receiving an electric shock when touching the wire). This conditional probability determines people's degree of belief in the conditional, which in turn affects their willingness to accept valid inferences (e.g., "Peter touches the wire, therefore he receives an electric shock") in a reasoning task. Additionally to this indirect pathway, the model contains a direct pathway: Cognitive availability of exceptional situations directly reduces the readiness to accept valid conclusions. The first experimental series tested the integrated model for conditional statements embedded in pseudo-natural cover stories that either established a causal relation between the antecedent and the consequent event (causal conditionals) or did not connect the propositions in a meaningful way (arbitrary conditionals). The model was supported for the causal, but not for the arbitrary conditional statements. Furthermore, participants assigned lower degrees of belief to arbitrary than to causal conditionals. Is this effect due to the presence versus absence of a semantic link between antecedent and consequent in the conditionals? This question was one of the starting points for the second experimental series. Here, the credibility of the conditionals was manipulated by adding explicit frequency information about possible combinations of presence or absence of antecedent and consequent events to the problems (i.e., frequencies of cases of 1. true antecedent with true consequent, 2. true antecedent with false consequent, 3. false antecedent with true consequent, 4. false antecedent with false consequent). This paradigm allows testing different approaches to the meaning of conditionals (Experiment 4) as well as theories of conditional reasoning against each other (Experiment 5). The results of Experiment 4 supported mainly the conditional probability approach to the meaning of conditionals (Edgington, 1995) according to which the degree of belief a listener has in a conditional statement equals the conditional probability that the consequent is true given the antecedent (e.g., the probability of receiving an electric shock when touching the wire). Participants again assigned lower degrees of belief to the arbitrary than the causal conditionals, although the conditional probability of the consequent given the antecedent was held constant within every condition of explicit frequency information. This supports the hypothesis that the mere presence of a causal link enhances the believability of a conditional statement. In Experiment 5 participants solved conditional reasoning tasks from problems that contained explicit frequency information about possible relevant cases. The data favored the probabilistic approach to conditional reasoning advanced by Oaksford, Chater, and Larkin (2000). The two experimental series reported in this dissertation provide strong support for recent probabilistic theories: for the conditional probability approach to the meaning of conditionals by Edgington (1995) and the probabilistic approach to conditional reasoning by Oaksford et al. (2000). In the domain of conditional reasoning, there was additionally support for the modified mental model approaches by Markovits and Barrouillet (2002) and Schroyens and Schaeken (2003). Probabilistic and mental model approaches could be reconciled within a dual-process-model as suggested by Verschueren, Schaeken, and d'Ydewalle (2003).
Subject of this work is the study of applications of the Galactic Microlensing effect, where the light of a distant star (source) is bend according to Einstein's theory of gravity by the gravitational field of intervening compact mass objects (lenses), creating multiple (however not resolvable) images of the source. Relative motion of source, observer and lens leads to a variation of deflection/magnification and thus to a time dependant observable brightness change (lightcurve), a so-called microlensing event, lasting weeks to months. The focus lies on the modeling of binary-lens events, which provide a unique tool to fully characterize the lens-source system and to detect extra-solar planets around the lens star. Making use of the ability of genetic algorithms to efficiently explore large and intricate parameter spaces in the quest for the global best solution, a modeling software (Tango) for binary lenses is developed, presented and applied to data sets from the PLANET microlensing campaign. For the event OGLE-2002-BLG-069 the 2nd ever lens mass measurement has been achieved, leading to a scenario, where a G5III Bulge giant at 9.4 kpc is lensed by an M-dwarf binary with total mass of M=0.51 solar masses at distance 2.9 kpc. Furthermore a method is presented to use the absence of planetary lightcurve signatures to constrain the abundance of extra-solar planets.
Even though the structure of the plant cell wall is by and large quite well characterized, its synthesis and regulation remains largely obscure. However, it is accepted that the building blocks of the polysaccharidic part of the plant cell wall are nucleotide sugars. Thus to gain more insight into the cell wall biosynthesis, in the first part of this thesis, plant genes possibly involved in the nucleotide sugar interconversion pathway were identified using a bioinformatics approach and characterized in plants, mainly in Arabidopsis. For the computational identification profile hidden markov models were extracted from the Pfam and TIGR databases. Mainly with these, plant genes were identified facilitating the “hmmer” program. Several gene families were identified and three were further characterized, the UDP-rhamnose synthase (RHM), UDP-glucuronic acid epimerase (GAE) and the myo-inositol oxygenase (MIOX) families. For the three-membered RHM family relative ubiquitous expression was shown using variuos methods. For one of these genes, RHM2, T-DNA lines could be obtained. Moreover, the transcription of the whole family was downregulated facilitating an RNAi approach. In both cases a alteration of cell wall typic polysaccharides and developmental changes could be shown. In the case of the rhm2 mutant these were restricted to the seed or the seed mucilage, whereas the RNAi plants showed profound changes in the whole plant. In the case of the six-membered GAE family, the gene expressed to the highest level (GAE6) was cloned, expressed heterologously and its function was characterized. Thus, it could be shown that GAE6 encodes for an enzyme responsible for the conversion of UDP-glucuronic acid to UDP-galacturonic acid. However, a change in transcript level of variuos GAE family members achieved by T-DNA insertions (gae2, gae5, gae6), overexpression (GAE6) or an RNAi approach, targeting the whole family, did not reveal any robust changes in the cell wall. Contrary to the other two families the MIOX gene family had to be identified using a BLAST based approach due to the lack of enough suitable candidate genes for building a hidden markov model. An initial bioinformatic characterization was performed which will lead to further insights into this pathway. In total it was possible to identify the two gene families which are involved in the synthesis of the two pectin backbone sugars galacturonic acid and rhamnose. Moreover with the identification of the MIOX genes a genefamily, important for the supply of nucleotide sugar precursors was identified. In a second part of this thesis publicly available microarray datasets were analyzed with respect to co-responsive behavior of transcripts on a global basis using nearly 10,000 genes. The data has been made available to the community in form of a database providing additional statistical and visualization tools (http://csbdb.mpimp-golm.mpg.de). Using the framework of the database to identify nucleotide sugar converting genes indicated that co-response might be used for identification of novel genes involved in cell wall synthesis based on already known genes.
Due to its relevance for global climate, the realistic representation of the Atlantic meridional overturning circulation (AMOC) in ocean models is a key task. In recent years, two paradigms have evolved around what are its driving mechanisms: diapycnal mixing and Southern Ocean winds. This work aims at clarifying what sets the strength of the Atlantic overturning components in an ocean general circulation model and discusses the role of spatially inhomogeneous mixing, numerical diffusion and winds. Furthermore, the relation of the AMOC with a key quantity, the meridional pressure difference is analyzed. Due to the application of a very low diffusive tracer advection scheme, a realistic Atlantic overturning circulation can be obtained that is purely wind driven. On top of the winddriven circulation, changes of density gradients are caused by increasing the parameterized eddy diffusion in the North Atlantic and Southern Ocean. The linear relation between the maximum of the Atlantic overturning and the meridional pressure difference found in previous studies is confirmed and it is shown to be due to one significant pressure gradient between the average pressure over high latitude deep water formation regions and a relatively uniform pressure between 30°N and 30°S, which can directly be related to a zonal flow through geostrophy. Under constant Southern Ocean windstress forcing, a South Atlantic outflow in the range of 6-16 Sv is obtained for a large variety of experiments. Overall, the circulation is winddriven but its strength not uniquely determined by the Southern Ocean windstress. The scaling of the Atlantic overturning components is linear with the background vertical diffusivity, not confirming the 2/3 power law for one-hemisphere models without wind forcing. The pycnocline depth is constant in the coarse resolution model with large vertical grid extends. It suggests the ocean model operates like the Stommel box model with a linear relation of the pressure difference and fixed vertical scale for the volume transport. However, this seems only valid for vertical diffusivities smaller 0.4 cm²/s, when the dominant upwelling within the Atlantic occurs along the boundaries. For larger vertical diffusivities, a significant amount of interior upwelling occurs. It is further shown that any localized vertical mixing in the deep to bottom ocean cannot drive an Atlantic overturning. However, enhanced boundary mixing at thermocline depths is potentially important. The numerical diffusion is shown to have a large impact on the representation of the Atlantic overturning in the model. While the horizontal numerical diffusion tends to destabilize the Atlantic overturning the verital numerical diffusion denotes an amplifying mechanism.
The past decades are characterized by various efforts to provide complete sequence information of genomes regarding various organisms. The availability of full genome data triggered the development of multiplex high-throughput assays allowing simultaneous measurement of transcripts, proteins and metabolites. With genome information and profiling technologies now in hand a highly parallel experimental biology is offering opportunities to explore and discover novel principles governing biological systems. Understanding biological complexity through modelling cellular systems represents the driving force which today allows shifting from a component-centric focus to integrative and systems level investigations. The emerging field of systems biology integrates discovery and hypothesis-driven science to provide comprehensive knowledge via computational models of biological systems. Within the context of evolving systems biology, investigations were made in large-scale computational analyses on transcript co-response data through selected prokaryotic and plant model organisms. CSB.DB - a comprehensive systems-biology database - (http://csbdb.mpimp-golm.mpg.de/) was initiated to provide public and open access to the results of biostatistical analyses in conjunction with additional biological knowledge. The database tool CSB.DB enables potential users to infer hypothesis about functional interrelation of genes of interest and may serve as future basis for more sophisticated means of elucidating gene function. The co-response concept and the CSB.DB database tool were successfully applied to predict operons in Escherichia coli by using the chromosomal distance and transcriptional co-responses. Moreover, examples were shown which indicate that transcriptional co-response analysis allows identification of differential promoter activities under different experimental conditions. The co-response concept was successfully transferred to complex organisms with the focus on the eukaryotic plant model organism Arabidopsis thaliana. The investigations made enabled the discovery of novel genes regarding particular physiological processes and beyond, allowed annotation of gene functions which cannot be accessed by sequence homology. GMD - the Golm Metabolome Database - was initiated and implemented in CSB.DB to integrated metabolite information and metabolite profiles. This novel module will allow addressing complex biological questions towards transcriptional interrelation and extent the recent systems level quest towards phenotyping.
Adverb positioning is guided by syntactic, semantic, and pragmatic considerations and is subject to cross-linguistic as well as language-specific variation. The goal of the thesis is to identify the factors that determine adverb placement in general (Part I) as well as in constructions in which the adverb's sister constituent is deprived of its phonetic material by movement or ellipsis (gap constructions, Part II) and to provide an Optimality Theoretic approach to the contrasts in the effects of these factors on the distribution of adverbs in English, French, and German. In Optimality Theory (Prince & Smolensky 1993), grammaticality is defined as optimal satisfaction of a hierarchy of violable constraints: for a given input, a set of output candidates are produced out of which that candidate is selected as grammatical output which optimally satisfies the constraint hierarchy. Since grammaticality crucially relies on the hierarchic relations of the constraints, cross-linguistic variation can be traced back to differences in the language-specific constraint rankings. Part I shows how diverse phenomena of adverb placement can be captured by corresponding constraints and their relative rankings: - contrasts in the linearization of adverbs and verbs/auxiliaries in English and French - verb placement in German and the filling of the prefield position - placement of focus-sensitive adverbs - fronting of topical arguments and adverbs Part II extends the analysis to a particular phenomenon of adverb positioning: the avoidance of adverb attachment to a phonetically empty constituent (gap). English and French are similar in that the acceptability of pre-gap adverb placement depends on the type of adverb, its scope, and the syntactic construction (English: wh-movement vs. topicalization / VP Fronting / VP Ellipsis, inverted vs. non-inverted clauses; French: CLLD vs. Cleft, simple vs. periphrastic tense). Yet, the two languages differ in which strategies a specific type of adverb may pursue to escape placement in front of a certain type of gap. In contrast to English and French, placement of an adverb in front of a gap never gives rise to ungrammaticality in German. Rather, word ordering has to obey the syntactic, semantic, and pragmatic principles discussed in Part I; whether or not it results in adverb attachment to a phonetically empty constituent seems to be irrelevant: though constraints are active in every language, the emergence of a visible effect of their requirements in a given language depends on their relative ranking. The complex interaction of the diverse factors as well as their divergent effects on adverb placement in the various languages are accounted for by the universal constraints and their language-specific hierarchic relations in the OT framework.
Fault planes of large earthquakes incorporate inhomogeneous structures. This can be observed in teleseismic studies through the spatial distribution of slip and seismic moment release caused by the mainshock. Both parameters are often concentrated on patches on the fault plane with much higher values for slip and moment release than their adjacent areas. These patches are called asperities which obviously have a strong influence on the mainshock rupture propagation. Condition and properties of structures in the fault plane area, which are responsible for the evolution of such asperities or their significance on damage distributions of future earthquakes, are still not well understood and subject to recent geo-scientific studies. In the presented thesis asperity structures are identified on the fault plane of the Mw=8.0 Antofagasta earthquake in northern Chile which occurred on 30th of July, 1995. It was a thrust-type event in the seismogenic zone between the subducting pacific Nazca plate and the overriding South American plate. In cooperation of the German Task Force for Earthquakes and the CINCA'95 project a network of up to 44 seismic stations was set up to record the aftershock sequence. The seaward extension of the network with 9 OBH stations increased significantly the precision of hypocenter determinations. They were distributed mainly on the fault plane itself around the city of Antofagasta and Mejillones Peninsula. The asperity structures were recognized here by the spatial variations of local seismological parameters; at first by the spatial distribution of the seismic b-value on the fault plane, derived from the magnitude-frequency relation of Gutenberg-Richter. The correlation of this b-value map with other parameters like the mainshock source time function, the gravity isostatic residual anomalies, the aftershock radiated seismic energy distribution and the vp/vs ratios from a local earthquake tomograhpy study revealed some ideas about the composition and asperity generating processes. The investigation of 295 aftershock focal mechanism solutions supported the resulting fault plane structure and proposed a 3D similar stress state in the area of the Antofagasta fault plane.
Environmental stresses such as drought, high salt and low temperature affect plant growth and decrease crop productivity extremely. It is important to improve stress tolerance of the crop plant to increase crop yield under stress conditions. The Arabidopsis thaliana salt tolerance 1 gene (AtSTO1) was originally identified by Lippuner et al., (1996). In this study around 27 members of STO-like proteins were identified in Arabidopsis thaliana, rice and other plant species. The STO proteins have two consensus motifs (CCADEAAL and FCV(L)EDRA). The STO family members can be regarded as a distinct class of C2C2 proteins considering their low sequence similarity to other GATA like proteins and poor conservation in the C-terminus. AtSTO1 was found to be induced by salt, cold and drought in leaves and roots of 4-week-old Arabidopsis thaliana wild-type plants. The expression of AtSTO1 under salt and cold stress was more pronounced in roots than in leaves. The data provided here revealed that the AtSTO1 protein is localized in the nucleus. The observation that AtSTO1 localizes in the nucleus is consistent with its proposed function as a transcription factor. AtSTO1-dependent phenotypes were observed when plant were grown at 50 mM NaCl on agar plates. Leaves of AtSTO1 overexpression lines were bigger with dark green coloration, whereas stunted growth and yellowish leaves were observed in wild-type and RNAi plants. Also, the AtSTO1 overexpression plants when exposed to long-term cold stress had a red leaf coloration which was much stronger than in wild-type and RNAi lines. Growth of AtSTO1 overexpression lines in long term under salt and cold stress was always associated with long roots which was more pronounced than in wild-type and RNAi lines. Proline accumulation increased more strongly in leaves and roots of AtSTO1 overexpression lines than in tissues of wild-type and RNAi lines when treated with 200 mM NaCl, exposed to cold stress or when watering was prevented for one day or two weeks. Also, soluble sugar content increased to higher levels under salt, cold and drought stress in AtSTO1 overexpression lines when compared to wild-type and RNAi lines. The increase in soluble sugar content was detected in AtSTO1 overexpression lines after long-term (2 weeks) growth of plants under these stresses. Anthocyanins accumulated in leaves of AtSTO1 overexpression lines when exposed to long term salt stress (200 mM NaCl for 2 weeks) or to 4°C for 6 and 8 weeks. Also, anthocyanin content was increased in flowers of AtSTO1 overexpression plants kept at 4°C for 8 weeks. Taken together these data indicate that overexpression of AtSTO1 enhances abiotic stress toleranc via a more pronounced accumulation of compatible solutes under stress.
New chain transfer agents based on dithiobenzoate and trithiocarbonate for free radical polymerization via Reversible Addition-Fragmentation chain Transfer (RAFT) were synthesized. The new compounds bear permanently hydrophilic sulfonate moieties which provide solubility in water independent of the pH. One of them bears a fluorophore, enabling unsymmetrical double end group labelling as well as the preparation of fluorescent labeled polymers. Their stability against hydrolysis in water was studied, and compared with the most frequently employed water-soluble RAFT agent 4-cyano-4-thiobenzoylsulfanylpentanoic acid dithiobenzoate, using UV-Vis and 1H-NMR spectroscopy. An improved resistance to hydrolysis was found for the new RAFT agents, providing good stabilities in the pH range between 1 and 8, and up to temperatures of 70°C. Subsequently, a series of non-ionic, anionic and cationic water-soluble monomers were polymerized via RAFT in water. In these experiments, polymerizations were conducted either at 48°C or 55°C, that are lower than the conventionally employed temperatures (>60°C) for RAFT in organic solvents, in order to minimize hydrolysis of the active chain ends (e.g. dithioester and trithiocarbonate), and thus to obtain good control over the polymerization. Under these conditions, controlled polymerization in aqueous solution was possible with styrenic, acrylic and methacrylic monomers: molar masses increase with conversion, polydispersities are low, and the degree of end group functionalization is high. But polymerizations of methacrylamides were slow at temperatures below 60°C, and showed only moderate control. The RAFT process in water was also proved to be a powerful method to synthesize di- and triblock copolymers including the preparation of functional polymers with complex structure, such as amphiphilic and stimuli-sensitive block copolymers. These include polymers containing one or even two stimuli-sensitive hydrophilic blocks. The hydrophilic character of a single or of several blocks was switched by changing the pH, the temperature or the salt content, to demonstrate the variability of the molecular designs suited for stimuli-sensitive polymeric amphiphiles, and to exemplify the concept of multiple-sensitive systems. Furthermore, stable colloidal block ionomer complexes were prepared by mixing anionic surfactants in aqueous media with a double hydrophilic block copolymer synthesized via RAFT in water. The block copolymer is composed of a noncharged hydrophilic block based on polyethyleneglycol and a cationic block. The complexes prepared with perfluoro decanoate were found so stable that they even withstand dialysis; notably they do not denaturate proteins. So, they are potentially useful for biomedical applications in vivo.
Taking inspiration from nature, where composite materials made of a polymer matrix and inorganic fillers are often found, e.g. bone, shell of crustaceans, shell of eggs, etc., the feasibility on making composite materials containing chitosan and nanosized hydroxyapatite were investigated. A new preparation approach based on a co-precipitation method has been developed. In its earlier stage of formation, the composite occurs as hydrogel as suspended in aqueous alkaline solution. In order to get solid composites various drying procedures including freeze-drying technique, air-drying at room temperature and at moderate temperatures, between 50oC and 100oC were used. Physicochemical studies showed that the composites exhibit different properties with respect to their structure and composition. IR and Raman spectroscopy probed the presence of both chitosan and hydroxyapatite in the composites. Hydroxyapatite as dispersed in the chitosan matrix was found to be in the nanosize range (15-50 nm) and occurs in a bimodal distribution with respect to its crystallite length. Two types of distribution domains of hydroxyapatite crystallites in the composite matrix such as cluster-like (200-400 nm) and scattered-like domains were identified by the transmission electron microscopy (TEM), X-ray diffraction (XRD) and by confocal scanning laser microscopy (CSLM) measurements. Relaxation NMR experiments on composite hydrogels showed the presence of two types of water sites in their gel networks, such as free and bound water. Mechanical tests showed that the mechanical properties of composites are one order of magnitude less than those of compact bone but comparable to those of porous bone. The enzymatic degradation rates of composites showed slow degradation processes. The yields of degradation were estimated to be less than 10% by loss of mass, after incubation with lysozyme, for a period of 50 days. Since the composite materials were found biocompatible by the in vivo tests, the simple mode of their fabrication and their properties recommend them as potential candidates for the non-load bearing bone substitute materials.
This thesis work describes a new experimental method for the determination of Mode II (shear) fracture toughness, KIIC of rock and compares the outcome to results from Mode I (tensile) fracture toughness, KIC, testing using the International Society of Rock Mechanics Chevron-Bend method.Critical Mode I fracture growth at ambient conditions was studied by carrying out a series of experiments on a sandstone at different loading rates. The mechanical and microstructural data show that time- and loading rate dependent crack growth occurs in the test material at constant energy requirement.The newly developed set-up for determination of the Mode II fracture toughness is called the Punch-Through Shear test. Notches were drilled to the end surfaces of core samples. An axial load punches down the central cylinder introducing a shear load in the remaining rock bridge. To the mantle of the cores a confining pressure may be applied. The application of confining pressure favours the growth of Mode II fractures as large pressures suppress the growth of tensile cracks.Variation of geometrical parameters leads to an optimisation of the PTS- geometry. Increase of normal load on the shear zone increases KIIC bi-linear. High slope is observed at low confining pressures; at pressures above 30 MPa low slope increase is evident. The maximum confining pressure applied is 70 MPa. The evolution of fracturing and its change with confining pressure is described.The existence of Mode II fracture in rock is a matter of debate in the literature. Comparison of the results from Mode I and Mode II testing, mainly regarding the resulting fracture pattern, and correlation analysis of KIC and KIIC to physico-mechanical parameters emphasised the differences between the response of rock to Mode I and Mode II loading. On the microscale, neither the fractures resulting from Mode I the Mode II loading are pure mode fractures. On macroscopic scale, Mode I and Mode II do exist.
The role of feedback between erosional unloading and tectonics controlling the development of the Himalaya is a matter of current debate. The distribution of precipitation is thought to control surface erosion, which in turn results in tectonic exhumation as an isostatic compensation process. Alternatively, subsurface structures can have significant influence in the evolution of this actively growing orogen. Along the southern Himalayan front new 40Ar/39Ar white mica and apatite fission track (AFT) thermochronologic data provide the opportunity to determine the history of rock-uplift and exhumation paths along an approximately 120-km-wide NE-SW transect spanning the greater Sutlej region of the northwest Himalaya, India. 40Ar/39Ar data indicate, consistent with earlier studies that first the High Himalayan Crystalline, and subsequently the Lesser Himalayan Crystalline nappes were exhumed rapidly during Miocene time, while the deformation front propagated to the south. In contrast, new AFT data delineate synchronous exhumation of an elliptically shaped, NE-SW-oriented ~80 x 40 km region spanning both crystalline nappes during Pliocene-Quaternary time. The AFT ages correlate with elevation, but show within the resolution of the method no spatial relationship to preexisting major tectonic structures, such as the Main Central Thrust or the Southern Tibetan Fault System. Assuming constant exhumation rates and geothermal gradient, the rocks of two age vs. elevation transects were exhumed at ~1.4 ±0.2 and ~1.1 ±0.4 mm/a with an average cooling rate of ~50-60 °C/Ma during Pliocene-Quaternary time. The locus of pronounced exhumation defined by the AFT data coincides with a region of enhanced precipitation, high discharge, and sediment flux rates under present conditions. We therefore hypothesize that the distribution of AFT cooling ages might reflect the efficiency of surface processes and fluvial erosion, and thus demonstrate the influence of erosion in localizing rock-uplift and exhumation along southern Himalayan front, rather than encompassing the entire orogen.Despite a possible feedback between erosion and exhumation along the southern Himalayan front, we observe tectonically driven, crustal exhumation within the arid region behind the orographic barrier of the High Himalaya, which might be related to and driven by internal plateau forces. Several metamorphic-igneous gneiss dome complexes have been exhumed between the High Himalaya to the south and Indus-Tsangpo suture zone to the north since the onset of Indian-Eurasian collision ~50 Ma ago. Although the overall tectonic setting is characterized by convergence the exhumation of these domes is accommodated by extensional fault systems.Along the Indian-Tibetan border the poorly described Leo Pargil metamorphic-igneous gneiss dome (31-34°N/77-78°E) is located within the Tethyan Himalaya. New field mapping, structural, and geochronologic data document that the western flank of the Leo Pargil dome was formed by extension along temporally linked normal fault systems. Motion on a major detachment system, referred to as the Leo Pargil detachment zone (LPDZ) has led to the juxtaposition of low-grade metamorphic, sedimentary rocks in the hanging wall and high-grade metamorphic gneisses in the footwall. However, the distribution of new 40Ar/39Ar white mica data indicate a regional cooling event during middle Miocene time. New apatite fission track (AFT) data demonstrate that subsequently more of the footwall was extruded along the LPDZ in a brittle stage between 10 and 2 Ma with a minimum displacement of ~9 km. Additionally, AFT-data indicate a regional accelerated cooling and exhumation episode starting at ~4 Ma. Thus, tectonic processes can affect the entire orogenic system, while potential feedbacks between erosion and tectonics appear to be limited to the windward sides of an orogenic systems.
The India-Eurasia continental collision zone provides a spectacular example of active mountain building and climatic forcing. In order to quantify the critically important process of mass removal, I analyzed spatial and temporal precipitation patterns of the oscillating monsoon system and their geomorphic imprints. I processed passive microwave satellite data to derive high-resolution rainfall estimates for the last decade and identified an abnormal monsoon year in 2002. During this year, precipitation migrated far into the Sutlej Valley in the northwestern part of the Himalaya and reached regions behind orographic barriers that are normally arid. There, sediment flux, mean basin denudation rates, and channel-forming processes such as erosion by debris-flows increased significantly. Similarly, during the late Pleistocene and early Holocene, solar forcing increased the strength of the Indian summer monsoon for several millennia and presumably lead to analogous precipitation distribution as were observed during 2002. However, the persistent humid conditions in the steep, high-elevation parts of the Sutlej River resulted in deep-seated landsliding. Landslides were exceptionally large, mainly due to two processes that I infer for this time: At the onset of the intensified monsoon at 9.7 ka BP heavy rainfall and high river discharge removed material stored along the river, and lowered the baselevel. Second, enhanced discharge, sediment flux, and increased pore-water pressures along the hillslopes eventually lead to exceptionally large landslides that have not been observed in other periods. The excess sediments that were removed from the upstream parts of the Sutlej Valley were rapidly deposited in the low-gradient sectors of the lower Sutlej River. Timing of downcutting correlates with centennial-long weaker monsoon periods that were characterized by lower rainfall. I explain this relationship by taking sediment flux and rainfall dynamics into account: High sediment flux derived from the upstream parts of the Sutlej River during strong monsoon phases prevents fluvial incision due to oversaturation the fluvial sediment-transport capacity. In contrast, weaker monsoons result in a lower sediment flux that allows incision in the low-elevation parts of the Sutlej River.
It is known that the efficiency of organic light-emitting devices (OLEDs) is strongly influenced by the ’quality′ of the thin films [1]. On the basis of this conviction, the work presented in this thesis aimed to obtain a better understanding of the structure of organic thin films of general interest in the field of organic light emitting devices by using scanning probe microscopies (SPMs). A not yet reported crystal structure of quaterthiophene film grown on potassium hydrogen (KHP) is determined by optical measurements, a simulation program, diffraction at both normal incidence and grazing angle and AFM. The crystal cell is triclinic with parameters a = 0.721 nm, b = 0.632 nm, c = 0.956 nm and a = 91°, b = 91.4°, g = 91° [2]. The morphologies of four organic thin films deposited on gold are characterized by ultra high vacuum scanning tunneling microscopy (UHV-STM). Terraces in an hexanethiol monolayer, lamellar structures in an azobenzenethiol monolayer, rods in a a poly(paraphenylenevinylene) oligomer film and a granular morphology in an oxadiazole film are shown. The topographies of a series of poly(3,4-ethylenedioxythiophene)/poly(styrenesulfonate) (PEDOT/PSS) films deposited on indium-tin oxide (ITO) and gold obtained from dispersions with PEDOT:PSS weight ratios of 1:20, 1:6 and 1:1 are investigated by AFM. It is demonstrated that the films show the same topography on gold and on ITO. It is shown that the PEDOT films eliminate the spike features of ITO. It is reported that PEDOT 1:20 and 1:6 appear indistinguishable between each other but different from PEDOT 1:1 (the most conductive). Coupling STM and I-d measurements, a not yet reported structural model of PEDOT 1:1 on gold is obtained [3]. In this model the surface presents grains and the bulk particles/domains rich in PEDOT embedded in a PEDOT-poor matrix. The equation of conductivity is derived. A STM investigation of four PEDOT films deposited on ITO obtained from dispersions with the same PEDOT:PSS weight ratio of 1:1 is carried out [4]. The films differ either for the presence of sorbitol or for a different synthetic route (and they present different conductivities). For the first time a quantitative and qualitative correlation between the nanometer-scale morphology of PEDOT films with and without sorbitol and their conductivity is established.
The topic of synchronization forms a link between nonlinear dynamics and neuroscience. On the one hand, neurobiological research has shown that the synchronization of neuronal activity is an essential aspect of the working principle of the brain. On the other hand, recent advances in the physical theory have led to the discovery of the phenomenon of phase synchronization. A method of data analysis that is motivated by this finding - phase synchronization analysis - has already been successfully applied to empirical data. The present doctoral thesis ties up to these converging lines of research. Its subject are methodical contributions to the further development of phase synchronization analysis, as well as its application to event-related potentials, a form of EEG data that is especially important in the cognitive sciences. The methodical contributions of this work consist firstly in a number of specialized statistical tests for a difference in the synchronization strength in two different states of a system of two oscillators. Secondly, in regard of the many-channel character of EEG data an approach to multivariate phase synchronization analysis is presented. For the empirical investigation of neuronal synchronization a classic experiment on language processing was replicated, comparing the effect of a semantic violation in a sentence context with that of the manipulation of physical stimulus properties (font color). Here phase synchronization analysis detects a decrease of global synchronization for the semantic violation as well as an increase for the physical manipulation. In the latter case, by means of the multivariate analysis the global synchronization effect can be traced back to an interaction of symmetrically located brain areas.<BR> The findings presented show that the method of phase synchronization analysis motivated by physics is able to provide a relevant contribution to the investigation of event-related potentials in the cognitive sciences.
The overall objective of the study is an elaboration of quantitative methods for national conservation planning, coincident with the international approach ('hotspots' approach). This objective requires a solution of following problems: 1) How to estimate large scale vegetation diversity from abiotic factors only? 2) How to adopt 'global hotspots' approach for bordering of national biodiversity hotspots? 3) How to set conservation targets, accounting for difference in environmental conditions and human threats between national biodiversity hotspots? 4) How to design large scale national conservation plan reflecting hierarchical nature of biodiversity? The case study for national conservation planning is Russia. Conclusions: · Large scale vegetation diversity can be predicted to a major extent by climatically determined latent heat for evaporation and geometrical structure of landscape, described as an altitudinal difference. The climate based model reproduces observed species number of vascular plant for different areas of the world with an average error 15% · National biodiversity hotspots can be mapped from biotic or abiotic data using corrected for a country the quantitative criteria for plant endemism and land use from the 'global hotspots' approach · Quantitative conservation targets, accounting for difference in environmental conditions and human threats between national biodiversity hotspots can be set using national data for Red Data book species · Large scale national conservation plan reflecting hierarchical nature of biodiversity can be designed by combination of abiotic method at national scale (identification of large scale hotspots) and biotic method at regional scale (analysis of species data from Red Data book)
In this thesis the magnetohydrodynamic jet formation and the effects of magnetic diffusion on the formation of axisymmetric protostellar jets have been investigated in three different simulation sets. The time-dependent numerical simulations have been performed, using the magnetohydrodynamic ZEUS-3D code.
Robotic telescopes & Doppler imaging : measuring differential rotation on long-period active stars
(2004)
The sun shows a wide variety of magnetic-activity related phenomena. The magnetic field responsible for this is generated by a dynamo process which is believed to operate in the tachocline, which is located at the bottom of the convection zone. This dynamo is driven in part by differential rotation and in part by magnetic turbulences in the convection zone. The surface differential rotation, one key ingredient of dynamo theory, can be measured by tracing sunspot positions.To extend the parameter space for dynamo theories, one can extend these measurements to other stars than the sun. The primary obstacle in this endeavor is the lack of resolved surface images on other stars. This can be overcome by the Doppler imaging technique, which uses the rotation-induced Doppler-broadening of spectral lines to compute the surface distribution of a physical parameter like temperature. To obtain the surface image of a star, high-resolution spectroscopic observations, evenly distributed over one stellar rotation period are needed. This turns out to be quite complicated for long period stars. The upcoming robotic observatory STELLA addresses this problem with a dedicated scheduling routine, which is tailored for Doppler imaging targets. This will make observations for Doppler imaging not only easier, but also more efficient.As a preview of what can be done with STELLA, we present results of a Doppler imaging study of seven stars, all of which show evidence for differential rotation, but unfortunately the errors are of the same order of magnitude as the measurements due to unsatisfactory data quality, something that will not happen on STELLA. Both, cross-correlation analysis and the sheared image technique where used to double check the results if possible. For four of these stars, weak anti-solar differential rotation was found in a sense that the pole rotates faster than the equator, for the other three stars weak differential rotation in the same direction as on the sun was found.Finally, these new measurements along with other published measurements of differential rotation using Doppler imaging, were analyzed for correlations with stellar evolution, binarity, and rotation period. The total sample of stars show a significant correlation with rotation period, but if separated into antisolar and solar type behavior, only the subsample showing anti-solar differential rotation shows this correlation. Additionally, there is evidence for binary stars showing less differential rotation as single stars, as is suggested by theory. All other parameter combinations fail to deliver any results due to the still small sample of stars available.
Following work is embedded in the multidisciplinary study DESERT (DEad SEa Rift Transect) that has been carried out in the Middle East since the beginning of the year 2000. It focuses on the structure of the southern Dead Sea Transform (DST), the transform plate boundary between Africa (Sinai) and the Arabian microplate. The left-lateral displacement along this major active strike-slip fault amounts to more than 100 km since Miocene times. The DESERT near-vertical seismic reflection (NVR) experiment crossed the DST in the Arava Valley between Red Sea and Dead Sea, where its main fault is called Arava Fault. The 100 km long profile extends in a NW—SE direction from Sede Boqer/Israel to Ma'an/Jordan and coincides with the central part of a wide-angle seismic refraction/reflection line. Near-vertical seismic reflection studies are powerful tools to study the crustal architecture down to the crust/mantle boundary. Although they cannot directly image steeply dipping fault zones, they can give indirect evidence for transform motion by offset reflectors or an abrupt change in reflectivity pattern. Since no seismic reflection profile had crossed the DST before DESERT, important aspects of this transform plate boundary and related crustal structures were not known. Thus this study aimed to resolve the DST's manifestation in both the upper and the lower crust. It was to show, whether the DST penetrates into the mantle and whether it is associated with an offset of the crust/mantle boundary, which is observed at other large strike-slip zones. In this work a short description of the seismic reflection method and the various processing steps is followed by a geological interpretation of the seismic data, taking into account relevant information from other studies. Geological investigations in the area of the NVR profile showed, that the Arava Fault can partly be recognized in the field by small scarps in the Neogene sediments, small pressure ridges or rhomb-shaped grabens. A typical fault zone architecture with a fault gauge, fault-related damage zone, and undeformed host rock, that has been reported from other large fault zones, could not be found. Therefore, as a complementary part to the NVR experiment, which was designed to resolve deeper crustal structures, ASTER (Advanced Spacebourne Thermal Emission and Reflection Radiometer) satellite images were used to analyze surface deformation and determine neotectonic activity.
The age-by-complexity effect is the dominant empirical pattern in cognitive aging. The current report investigates whether a specific high-level mechanism---an age-related decrease in the reliability of episodic accumulators---can account for the age-by-complexity-effect, which is commonly assumed to be caused by an unspecific, low-level deficit. Groups of younger and older adults are compared in six reaction time experiments, using orthogonal manipulations of early cognitive difficulty (e.g., Stroop condition) and episodic demands (e.g., stimulus-response mapping). The predicted three-way interaction of age and the two factors was observed fairly consistently across experiments. A modified Brinley analysis shows that different regression slopes in old-young-space are required for conditions with low and high episodic difficulty. As a methodological contribution, a Brinley regression model following from certain simple processing assumptions is developed. It is shown that in contrast to a standard Brinley meta-analysis, the regression slopes in this model are not influenced by theoretically un-interesting between-experiment variance.
The goal of this work was to study the binding of ions to polymers and lipid bilayer membranes in aqueous solutions. In the first part of this work, the influence of various inorganic salts and polyelectrolytes on the structure of water was studied using Isothermal Titration Calorimetry (ITC). The heat of dilution of the salts was used as a scale of water structure making and breaking of the ions. The heats of dilution could be attributed to the Hofmeister Series. Following this, the binding of Ca2+ to poly(sodium acrylate) (NaPAA) was studied. ITC and a Ca2+ Ion Selective Electrode were used to measure the reaction enthalpy and binding isotherm. Binding of Ca2+ ions to PAA, was found to be highly endothermic and therefore solely driven by entropy. We then compared the binding of ions to the one-dimensional PAA polymer chain to the binding to lipid vesicles with the same functional groups. As for the polymer, Ca2+ binding was found to be endothermic. Binding of calcium to the lipid bilayer was found to be weaker than to the polymer. In the context of these experiments, it was shown that Ca2+ not only binds to charged but also to zwitterionic lipid vesicles. Finally, we studied the interaction of two salts, KCl and NaCl, to a neutral polymer gel, PNIPAAM, and to the ionic polymer PAA. Combining calorimetry and a potassium selective electrode we observed that the ions interact with both polymers, whether containing charges or not.
Adherent cells constantly collect information about the mechanical properties of their extracellular environment by actively pulling on it through cell-matrix contacts, which act as mechanosensors. In recent years, the sophisticated use of elastic substrates has shown that cells respond very sensitively to changes in effective stiffness in their environment, which results in a reorganization of the cytoskeleton in response to mechanical input. We develop a theoretical model to predict cellular self-organization in soft materials on a coarse grained level. Although cell organization in principle results from complex regulatory events inside the cell, the typical response to mechanical input seems to be a simple preference for large effective stiffness, possibly because force is more efficiently generated in a stiffer environment. The term effective stiffness comprises effects of both rigidity and prestrain in the environment. This observation can be turned into an optimization principle in elasticity theory. By specifying the cellular probing force pattern and by modeling the environment as a linear elastic medium, one can predict preferred cell orientation and position. Various examples for cell organization, which are of large practical interest, are considered theoretically: cells in external strain fields and cells close to boundaries or interfaces for different sample geometries and boundary conditions. For this purpose the elastic equations are solved exactly for an infinite space, an elastic half space and the elastic sphere. The predictions of the model are in excellent agreement with experiments for fibroblast cells, both on elastic substrates and in hydrogels. Mechanically active cells like fibroblasts could also interact elastically with each other. We calculate the optimal structures on elastic substrates as a function of material properties, cell density and the geometry of cell positioning, respectively, that allows each cell to maximize the effective stiffness in its environment due to the traction of all the other cells. Finally, we apply Monte Carlo simulations to study the effect of noise on cellular structure formation. The model not only contributes to a better understanding of many physiological situations. In the future it could also be used for biomedical applications to optimize protocols for artificial tissues with respect to sample geometry, boundary condition, material properties or cell density.
This work deals with the connection between two basic phenomena in Nonlinear Dynamics: synchronization of chaotic systems and recurrences in phase space. Synchronization takes place when two or more systems adapt (synchronize) some characteristic of their respective motions, due to an interaction between the systems or to a common external forcing. The appearence of synchronized dynamics in chaotic systems is rather universal but not trivial. In some sense, the possibility that two chaotic systems synchronize is counterintuitive: chaotic systems are characterized by the sensitivity ti different initial conditions. Hence, two identical chaotic systems starting at two slightly different initial conditions evolve in a different manner, and after a certain time, they become uncorrelated. Therefore, at a first glance, it does not seem to be plausible that two chaotic systems are able to synchronize. But as we will see later, synchronization of chaotic systems has been demonstrated. On one hand it is important to investigate the conditions under which synchronization of chaotic systems occurs, and on the other hand, to develop tests for the detection of synchronization. In this work, I have concentrated on the second task for the cases of phase synchronization (PS) and generalized synchronization (GS). Several measures have been proposed so far for the detection of PS and GS. However, difficulties arise with the detection of synchronization in systems subjected to rather large amounts of noise and/or instationarities, which are common when analyzing experimental data. The new measures proposed in the course of this thesis are rather robust with respect to these effects. They hence allow to be applied to data, which have evaded synchronization analysis so far. The proposed tests for synchronization in this work are based on the fundamental property of recurrences in phase space.
Paleomagnetic dating of climatic events in Late Quaternary sediments of Lake Baikal (Siberia)
(2004)
Lake Baikal provides an excellent climatic archive for Central Eurasia as global climatic variations are continuously depicted in its sediments. We performed continuous rock magnetic and paleomagnetic analyses on hemipelagic sequences retrieved from 4 underwater highs reaching back 300 ka. The rock magnetic study combined with TEM, XRD, XRF and geochemical analyses evidenced that a magnetite of detrital origin dominates the magnetic signal in glacial sediments whereas interglacial sediments are affected by early diagenesis. HIRM roughly quantifies the hematite and goethite contributions and remains the best proxy for estimating the detrital input in Lake Baikal. Relative paleointensity records of the earth′s magnetic field show a reproducible pattern, which allows for correlation with well-dated reference curves and thus provides an alternative age model for Lake Baikal sediments. Using the paleomagnetic age model we observed that cooling in the Lake Baikal region and cooling of the sea surface water in the North Atlantic, as recorded in planktonic foraminifera δ18 O, are coeval. On the other hand, benthic δ18 O curves record mainly the global ice volume change, which occurs later than the sea surface temperature change. This proves that a dating bias results from an age model based on the correlation of Lake Baikal sedimentary records with benthic δ18 O curves. The compilation of paleomagnetic curves provides a new relative paleointensity curve, “Baikal 200”. With a laser-assisted grain size analysis of the detrital input, three facies types, reflecting different sedimentary dynamics can be distinguished. (1) Glacial periods are characterised by a high clay content mostly due to wind activity and by occurrence of a coarse fraction (sand) transported over the ice by local winds. This fraction gives evidence for aridity in the hinterland. (2) At glacial/interglacial transitions, the quantity of silt increases as the moisture increases, reflecting increased sedimentary dynamics. Wind transport and snow trapping are the dominant process bringing silt to a hemipelagic site (3) During the climatic optimum of the Eemian, the silt size and quantity are minimal due to blanketing of the detrital sources by the vegetal cover.
Understanding stars, their magnetic activity phenomena and the underlying dynamo action is the foundation for understanding 'life, the universe and everything' - as stellar magnetic fields play a fundamental role for star and planet formation and for the terrestrial atmosphere and climate. Starspots are the fingerprints of magnetic field lines and thereby the most important sign of activity in a star's photosphere. However, they cannot be observed directly, as it is not (yet) possible to spacially resolve the surfaces of even the nearest neighbouring stars. Therefore, an indirect approach called 'Doppler imaging' is applied, which allows to reconstruct the surface spot distribution on rapidly rotating, active stars. In this work, data from 11 years of continuous spectroscopic observations of the active binary star EI Eridani are reduced and analysed. 34 Doppler maps are obtained and the problem of how to parameterise the information content of Doppler maps is discussed. Three approaches for parameter extraction are introduced and applied to all maps: average temperature, separated for several latitude bands; fractional spottedness; and, for the analysis of structural temperature distribution, longitudinal and latitudinal spot-occurrence functions. The resulting values do not show a distinct correlation with the proposed activity cycle as seen from photometric long-term observations, thereby suggesting that the photometric activity cycle is not accompanied by a spot cycle as seen on the Sun. The general morphology of the spot pattern on EI Eri remains persistent for the whole period of 11 years. In addition, a detailed parameter study is performed. Improved orbital parameters suggest that EI Eri might be complemented by a third star in a wide orbit of about 19 years. Preliminary differential rotation measurements are carried out, indicating an anti-solar orientation.
In this thesis, dynamical structures and manifolds in closed chaotic flows will be investigated. The knowledge about the dynamical structures (and manifolds) of a system is of importance, since they provide us first information about the dynamics of the system - means, with their help we are able to characterize the flow and maybe even to forecast it`s dynamics. The visualization of such structures in closed chaotic flows is a difficult and often long-lasting process. Here, the so-called 'Leaking-method' will be introduced, in examples of simple mathematical maps as the baker- or sine-map, with which we are able to visualize subsets of the manifolds of the system`s chaotic saddle. Comparisons between the visualized manifolds and structures traced out by chemical or biological reactions superimposed on the same flow will be done in the example of a kinematic model of the Gulf Stream. It will be shown that with the help of the leaking method dynamical structures can be also visualized in environmental systems. In the example of a realistic model of the Mediterranean Sea, the leaking method will be extended to the 'exchange-method'. The exchange method allows us to characterize transport between two regions, to visualize transport routes and their exchange sets and to calculate the exchange times. Exchange times and sets will be shown and calculated for a northern and southern region in the western basin of the Mediterranean Sea. Furthermore, mixing properties in the Earth mantle will be characterized and geometrical properties of manifolds in a 3dimensional mathematical model (ABC map) will be investigated.
In this work different approaches are undertaken to improve the understanding of the sucrose-to-starch pathway in developing potato tubers. At first an inducible gene expression system from fungal origin is optimised for the use of studying metabolism in the potato tuber. It is found that the alc system from Aspergillus nidulans responds more rapidly to acetaldehyde than ethanol, and that acetaldehyde has less side-effects on metabolism. The optimal induction conditions then are used to study the effects of temporally controlled cytosolic expression of a yeast invertase on metabolism of potato tubers. The observed differences between induced and constitutive expression of the invertase lead to the conclusion that glycolysis is induced after an ATP demand has been created by an increase in sucrose cycling. Furthermore, the data suggest that in the potato tuber maltose is a product of glucose condensation rather than starch degradation. In the second part of the work it is shown that the expression of a yeast invertase in the vacuole of potato tubers has similar effects on metabolism than the expression of the same enzyme in the apoplast. These observations give further evidence to the presence of a mechanism by which sucrose is taken up via endocytosis to the vacuole rather than via transporters directly to the cytosol. Finally, a kinetic in silico model of sucrose breakdown is presented that is able to simulate this part of potato tuber metabolism on a quantitative level. Furthermore, it can predict the metabolic effects of the introduction of a yeast invertase in the cytosol of potato tubers with an astonishing precision. In summary, these data prove that inducible gene expression and kinetic computer models of metabolic pathways are useful tools to greatly improve the understanding of plant metabolism.
Polymer optical fibers (POFs) are a rather new tool for high-speed data transfer by modulated light. They allow the transport of high amounts of data over distances up to about 100 m without be influenced by external electromagnetic fields. Due to organic chemical nature of POFs, they are sensitive to the climate of their environment and therefore the optical fiber properties are as well. Hence, the optical stability is a key issue for long-term applications of POFs. The causes for a loss of optical transmission due to climatic exposures (aging/degradation) are researched by means of chemical analytical tools such as chemiluminescence (CL) and Fourier transform infrared (FTIR) spectroscopy for five different (with respect to manufacturers) step-index multimode PMMA based POFs and for seven different climatic conditions. Three of the five POF samples are studied more in detail to realize the effects of individual parameters and for forecasting longterm optical stability by short-term exposure tests. At first, the unexposed POF components (core, cladding, and bare POF as combination of core and cladding) are characterized with respect to important physical and chemical properties. The glass transition temperature Tg, and the melting temperature Tm are in the region of 120 °C to 140 °C, the molecular weight (Mw) of cores is in the order of 105 g mol-1. POFs are found to have different chemical compositions of their claddings as could be detected by FTIR, but identical compositions of their cores. Two of the POFs are exposed as cables (core, cladding and jacket) for about 3300 hours to the climate 92 °C / 95 % relative humidity (RH) resulting in a different transmission decrease. Investigating the related unexposed and exposed bare POFs for degradation using CL, FTIR, thermogravimetry (TG), UV/visible transmittance and gel permeation chromatography (GPC) suggest that claddings of POFs are more affected than cores. Probably the observed loss of transmission is mainly due to increased light absorption and imperfections at the core-cladding boundary caused by a large degradation of claddings. Hence, it is highly possible that the optical transmission stability of POFs is governed mainly by the thermo-oxidative stability of the cladding and minor of the core. Three bare POFs (core and cladding only) are exposed for different duration of exposure time (30 hours to 4500 hours) to 92 °C / 95 %RH, 92 °C / 50 %RH, 50 °C / 95 %RH, 90 °C / low humidity, 100 °C / low humidity, 110 °C / low humidity and 120 °C / low humidity. In these climates their transmission variations are found to be different from each other, too. The outcomes strongly inform that under high temperature and high humid climates physical changes such as volume expansion, are the main sources for the loss of optical transmission. Also, the optical transmission stability of POFs is found to be dependent on chemical compositions of claddings. Under high temperature and low humid conditions, a loss of transmission at the early stages of the exposure is mainly caused by physical changes, presumable by corecladding interface imperfections. For the later stages of exposures it is proposed to an additional increase of light absorption by core and cladding owes to degradation. Optical simulation results obtained parallel by Mr. L. Jankowski (a PhD student of BAM) are found to confirm these results. For bare POFs, too, the optical stability of POFs seems to depend on their thermo-oxidative stability. Some short-term exposure tests are conducted to realize influences of individual climatic parameters on the transmission property of POFs. It is found that at stationary high temperature and variable humidity conditions POFs display to a certain amount a reversible transmission loss due to physically absorbed water. But in the case of varying temperature and constant high humidity such reversibility is hardly noticeable. However, at room temperature and varying humidity, POFs display fully reversible transmission loss. The whole research described above has to be regarded as a starting point for further investigations. The restricted distribution of fundamental POF data by the manufacturers and the time consuming aging by climatic exposures restrict the results more or less to the samples, investigated here. Significant general statements require for example additional information concerning the variation of POF properties due to production. Nevertheless the tests, described here, have the capability for approximating and forecasting the long-term optical transmission stability of POFs. -------------- Auch im Druck erschienen: Appajaiah, Anilkumar: Climatic stability of polymer optical fibers (POF) / Anilkumar Appajaiah. - Bremerhaven : Wirtschaftsverl. NW, Verl. für neue Wiss., 2005. - Getr. Zählung [ca. 175 S.]. : Ill., graph. Darst. - (BAM-Dissertationsreihe ; 9) ISBN 3-86509-302-7
Modelling and simulation of light propagation in non-aged and aged step-index polymer optical fibres
(2004)
This thesis discusses theoretical and practical aspects of modelling of light propagation in non-aged and aged step-index polymer optical fibres (POFs). Special attention has been paid in describing optical characteristics of non-ideal fibres, scattering and attenuation, and in combining application-oriented and theoretical approaches. The precedence has been given to practical issues, but much effort has been also spent on the theoretical analysis of basic mechanisms governing light propagation in cylindrical waveguides. As a result a practically usable general POF model based on the raytracing approach has been developed and implemented. A systematic numerical optimisation of its parameters has been performed to obtain the best fit between simulated and measured optical characteristics of numerous non-aged and aged fibre samples. The model was verified by providing good agreement, especially for the non-aged fibres. The relations found between aging time and optimal values of model parameters contribute to a better understanding of the aging mechanisms of POFs.
Recurrence plots, a rather promising tool of data analysis, have been introduced by Eckman et al. in 1987. They visualise recurrences in phase space and give an overview about the system's dynamics. Two features have made the method rather popular. Firstly they are rather simple to compute and secondly they are putatively easy to interpret. However, the straightforward interpretation of recurrence plots for some systems yields rather surprising results. For example indications of low dimensional chaos have been reported for stock marked data, based on recurrence plots. In this work we exploit recurrences or ``naturally occurring analogues'' as they were termed by E. Lorenz, to obtain three key results. One of which is that the most striking structures which are found in recurrence plots are hinged to the correlation entropy and the correlation dimension of the underlying system. Even though an eventual embedding changes the structures in recurrence plots considerably these dynamical invariants can be estimated independently of the special parameters used for the computation. The second key result is that the attractor can be reconstructed from the recurrence plot. This means that it contains all topological information of the system under question in the limit of long time series. The graphical representation of the recurrences can also help to develop new algorithms and exploit specific structures. This feature has helped to obtain the third key result of this study. Based on recurrences to points which have the same ``recurrence structure'', it is possible to generate surrogates of the system which capture all relevant dynamical characteristics, such as entropies, dimensions and characteristic frequencies of the system. These so generated surrogates are shadowed by a trajectory of the system which starts at different initial conditions than the time series in question. They can be used then to test for complex synchronisation.
One of the most striking features of ecological systems is their ability to undergo sudden outbreaks in the population numbers of one or a small number of species. The similarity of outbreak characteristics, which is exhibited in totally different and unrelated (ecological) systems naturally leads to the question whether there are universal mechanisms underlying outbreak dynamics in Ecology. It will be shown into two case studies (dynamics of phytoplankton blooms under variable nutrients supply and spread of epidemics in networks of cities) that one explanation for the regular recurrence of outbreaks stems from the interaction of the natural systems with periodical variations of their environment. Natural aquatic systems like lakes offer very good examples for the annual recurrence of outbreaks in Ecology. The idea whether chaos is responsible for the irregular heights of outbreaks is central in the domain of ecological modeling. This question is investigated in the context of phytoplankton blooms. The dynamics of epidemics in networks of cities is a problem which offers many ecological and theoretical aspects. The coupling between the cities is introduced through their sizes and gives rise to a weighted network which topology is generated from the distribution of the city sizes. We examine the dynamics in this network and classified the different possible regimes. It could be shown that a single epidemiological model can be reduced to a one-dimensional map. We analyze in this context the dynamics in networks of weighted maps. The coupling is a saturation function which possess a parameter which can be interpreted as an effective temperature for the network. This parameter allows to vary continously the network topology from global coupling to hierarchical network. We perform bifurcation analysis of the global dynamics and succeed to construct an effective theory explaining very well the behavior of the system.
This thesis analyses synchronization phenomena occurring in large ensembles of interacting oscillatory units. In particular, the effects of nonisochronicity (frequency dependence on the oscillator's amplitude) on the macroscopic transition to synchronization are studied in detail. The new phenomena found (Anomalous Synchronization) are investigated in populations of oscillators as well as between oscillator's ensembles.
We calculate the additional carbon emissions as a result of the conversion of natural land in a process of urbanisation; and the change of carbon flows by “urbanised” ecosystems, when the atmospheric carbon is exported to the neighboring territories, from 1980 till 2050 for the eight regions of the world. As a scenario we use combined UN and demographic model′s prognoses for regional total and urban population growth. The calculations of urban areas dynamics are based on two models: the regression model and the Gamma-model. The urbanised area is sub-divided on built-up, „green“ (parks, etc.) and informal settlements (favelas) areas. The next step is to calculate the regional and world dynamics of carbon emission and export, and the annual total carbon balance. Both models give similar results with some quantitative differences. In the first model, the world annual emissions attain a maximum of 205 MtC/year between 2020-2030. Emissions will then slowly decrease. The maximum contributions are given by China and the Asia and Pacific regions. In the second model, world annual emissions increase to 1.25 GtC in 2005, beginning to decrease afterwards. If we compare the emission maximum with the annual emission caused by deforestation, 1.36GtC per year, then we can say that the role of urbanised territories (UT) is of a comparable magnitude. Regarding the world annual export of carbon by UT, we observe its monotonous growth by three times, from 24 MtC to 66 MtC in the first model, and from 249 MtC to 505 MtC in the second one. The latter, is therefore comparable to the amount of carbon transported by rivers into the ocean (196-537 MtC). By estimating the total balance we find that urbanisation shifts the total balance towards a “sink” state. The urbanisation is inhibited in the interval 2020-2030, and by 2050 the growth of urbanised areas would almost stop. Hence, the total emission of natural carbon at that stage will stabilise at the level of the 1980s (80 MtC per year). As estimated by the second model, the total balance, being almost constant until 2000, then starts to decrease at an almost constant rate. We can say that by the end of the XXI century, the total carbon balance will be equal to zero, when the exchange flows are fully balanced, and may even be negative, when the system begins to take up carbon from the atmosphere, i.e., becomes a “sink”.
My thesis is concerned with several new noise-induced phenomena in excitable neural models, especially those with FitzHugh-Nagumo dynamics. In these effects the fluctuations intrinsically present in any complex neural network play a constructive role and improve functionality. I report the occurrence of Vibrational Resonance in excitable systems. Both in an excitable electronic circuit and in the FitzHugh-Nagumo model, I show that an optimal amplitude of high-frequency driving enhances the response of an excitable system to a low-frequency signal. Additionally, the influence of additive noise and the interplay between Stochastic and Vibrational Resonance is analyzed. Further, I study systems which combine both oscillatory and excitable properties, and hence intrinsically possess two internal frequencies. I show that in such a system the effect of Stochastic Resonance can be amplified by an additional high-frequency signal which is in resonance with the oscillatory frequency. This amplification needs much lower noise intensities than for conventional Stochastic Resonance in excitable systems. I study frequency selectivity in noise-induced subthreshold signal processing in a system with many noise-supported stochastic attractors. I show that the response of the coupled elements at different noise levels can be significantly enhanced or reduced by forcing some elements into resonance with these new frequencies which correspond to appropriate phase-relations. A noise-induced phase transition to excitability is reported in oscillatory media with FitzHugh-Nagumo dynamics. This transition takes place via noise-induced stabilization of a deterministically unstable fixed point of the local dynamics, while the overall phase-space structure of the system is maintained. The joint action of coupling and noise leads to a different type of phase transition and results in a stabilization of the system. The resulting noise-induced regime is shown to display properties characteristic of excitable media, such as Stochastic Resonance and wave propagation. This effect thus allows the transmission of signals through an otherwise globally oscillating medium. In particular, these theoretical findings suggest a possible mechanism for suppressing undesirable global oscillations in neural networks (which are usually characteristic of abnormal medical conditions such as Parkinson′s disease or epilepsy), using the action of noise to restore excitability, which is the normal state of neuronal ensembles.
Independent component analysis (ICA) is a tool for statistical data analysis and signal processing that is able to decompose multivariate signals into their underlying source components. Although the classical ICA model is highly useful, there are many real-world applications that require powerful extensions of ICA. This thesis presents new methods that extend the functionality of ICA: (1) reliability and grouping of independent components with noise injection, (2) robust and overcomplete ICA with inlier detection, and (3) nonlinear ICA with kernel methods.
For recombinant production of proteins for structural and functional analyses, the E. coli expression system is the most widely used due to high yields and straightforward processing. However, particularly the expression of eukaryotic proteins in E. coli is often problematic, e.g. when the protein is not folded correctly and is deposited in insoluble inclusion bodies. In some cases it is favourable to analyse deletion constructs of a protein or an individual protein domain instead of the full-length protein. This implies the generation of a set of expression constructs that need to be characterised. In this work methods to optimise and evaluate in vitro folding of inclusion body proteins as well as high-throughput characterisation of expression constructs were developed. Transferring inclusion body proteins to their native state involves two steps: (a) solubilisation with a chaotropic reagent or a strong ionic detergent and (b) folding of the protein by removal of the chaotrop accompanied by the transfer into an appropriate buffer. The yield of natively folded protein is often substantially reduced due to aggregation or misfolding; it may, however, be improved by certain additives to the folding buffer. These additives need to be identified empirically. In this thesis a screening procedure for folding conditions was developed. To reduce the number of possible combinations of screening additives, empirical observations documented in the literature as well as well known properties of certain screening additives were considered. To decrease the amount of protein and work invested, the screen was miniaturised and automated using a pipetting robot. Twenty rapid dilution conditions for the denatured protein are tested and two conditions for folding of proteins using the detergent/cyclodextrin protein folding system of Rozema et al. (1996). 100 µg protein is used per condition. In addition, eight conditions can be tested for folding of His-tagged proteins (approx. 200 µg) immobilised on metal chelate resins. The screen was successfully applied to fold a human protein, the p22 subunit of dynactin that is expressed in inclusion bodies in E. coli. For p22 dynactin – as is the case for many proteins – there was no biological assay available to assess the success of the folding screen. Protein solubility can not be used as a stringent criterion because beside natively folded protein, soluble misfolded species and microaggregates may occur. This work evaluates methods to detect small amounts of natively folded protein after automated folding screening. Before folding screening with p22 dynactin, two model enzymes, bovine carbonic anhydrase II (CAB) and pig heart mitochondrial malate dehydrogenase, were used for evaluation. Recovered activity after refolding was correlated to different biophysical methods. 8-anilino-1-naphtalenesulfonic acid binding-experiments gave no useful information when refolding CAB, due to low sensitivity and because misfolded protein could not be readily distinguished from native protein. Tryptophan fluorescence spectra of refolded CAB were used to assess the success of refolding. The shift of the intensity maximum to a shorter wavelength, compared to the denaturant unfolded protein, as well as the fluorescence intensity correlated to recovered enzymatic activity. For both model enzymes, analytical hydrophobic interaction chromatography (HIC) was useful to identify refolded samples that contain active enzyme. Compactly folded, active enzyme eluted in a distinct peak in a decreasing ammonium sulfate gradient. The detection limit of analytical HIC was approx. 5 µg. In case of CAB, tryptophan fluorescence spectroscopy and analytical HIC showed that both methods in combination can be useful to rule out false positives or false negatives obtained with one method. These two methods were also useful to identify conditions for folding of p22 dynactin. However, tryptophan fluorescence spectroscopy can lead to false positives because in some cases spectra of soluble microaggregates are not well distinguishable from spectra of natively folded protein. In summary, a fast and reliable screening procedure was developed to make inclusion body proteins accessible to structural or functional analyses. In a separate project, 88 different E. coli expression constructs for 17 human protein domains that had been identified by sequence analysis were analysed using high-throughput purification and folding analysis in order to obtain candidates suitable for structural analysis. After 96 deep-well microplate expression and automated protein purification, solubly expressed protein domains were directly analysed using 1D ¹H-NMR spectroscopy. It was found that isolated methyl group signals below 0.5 ppm are particularly sensitive and reliable probes for folded protein. In addition – similar to the evaluation of a folding screen – analytical HIC proved to be an efficient tool for identifying constructs that yield compactly folded protein. Both methods, 1D ¹H-NMR spectroscopy and analytical HIC, provided complementary results. Six constructs, representing two domains, could be quickly identified as targets that are well suitable for structural analysis. The structure of one of these domains was solved recently by co-workers, the other structure was published by another group during this project.
Concerns have been raised that anthropogenic climate change could lead to large-scale singular climate events, i.e., abrupt nonlinear climate changes with repercussions on regional to global scales. One central goal of this thesis is the development of models of two representative components of the climate system that could exhibit singular behavior: the Atlantic thermohaline circulation (THC) and the Indian monsoon. These models are conceived so as to fulfill the main requirements of integrated assessment modeling, i.e., reliability, computational efficiency, transparency and flexibility. The model of the THC is an interhemispheric four-box model calibrated against data generated with a coupled climate model of intermediate complexity. It is designed to be driven by global mean temperature change which is translated into regional fluxes of heat and freshwater through a linear down-scaling procedure. Results of a large number of transient climate change simulations indicate that the reduced-form THC model is able to emulate key features of the behavior of comprehensive climate models such as the sensitivity of the THC to the amount, regional distribution and rate of change in the heat and freshwater fluxes. The Indian monsoon is described by a novel one-dimensional box model of the tropical atmosphere. It includes representations of the radiative and surface fluxes, the hydrological cycle and surface hydrology. Despite its high degree of idealization, the model satisfactorily captures relevant aspects of the observed monsoon dynamics, such as the annual course of precipitation and the onset and withdrawal of the summer monsoon. Also, the model exhibits the sensitivity to changes in greenhouse gas and sulfate aerosol concentrations that are known from comprehensive models. A simplified version of the monsoon model is employed for the identification of changes in the qualitative system behavior against changes in boundary conditions. The most notable result is that under summer conditions a saddle-node bifurcation occurs at critical values of the planetary albedo or insolation. Furthermore, the system exhibits two stable equilibria: besides the wet summer monsoon, a stable state exists which is characterized by a weak hydrological cycle. These results are remarkable insofar, as they indicate that anthropogenic perturbations of the planetary albedo such as sulfur emissions and/or land-use changes could destabilize the Indian summer monsoon. The reduced-form THC model is employed in an exemplary integrated assessment application. Drawing on the conceptual and methodological framework of the tolerable windows approach, emissions corridors (i.e., admissible ranges of CO2- emissions) are derived that limit the risk of a THC collapse while considering expectations about the socio-economically acceptable pace of emissions reductions. Results indicate, for example, a large dependency of the width of the emissions corridor on climate and hydrological sensitivity: for low values of climate and/or hydrological sensitivity, the corridor boundaries are far from being transgressed by any plausible emissions scenario for the 21st century. In contrast, for high values of both quantities low non-intervention scenarios leave the corridor already in the early decades of the 21st century. This implies that if the risk of a THC collapse is to be kept low, business-as-usual paths would need to be abandoned within the next two decades. All in all, this thesis highlights the value of reduced-form modeling by presenting a number of applications of this class of models, ranging from sensitivity and bifurcation analysis to integrated assessment. The results achieved and conclusions drawn provide a useful contribution to the scientific and policy debate about the consequences of anthropogenic climate change and the long-term goals of climate protection. --- Anmerkung: Die Autorin ist Trägerin des von der Mathematisch-Naturwissenschaftlichen Fakultät der Universität Potsdam vergebenen Michelson-Preises für die beste Promotion des Jahres 2003/2004.
Western Anatolia that represents the eastward lateral continuation of the Aegean domain is composed of several tectono-metamorphic units showing occurrences of high-pressure/low-temperature (HP-LT) rocks. While some of these metamorphic rocks are vestiges of the Pan-African or Cimmerian orogenies, others are the result of the more recent Alpine orogenesis. In southwest Turkey, the Menderes Massif occupies an extensive area tectonically overlain by nappe units of the Izmir-Ankara Suture Zone in the north, the Afyon Zone in the east, and the Lycian Nappes in the south. In the present study, investigations in the metasediments of the Lycian Nappes and underlying southern Menderes Massif revealed widespread occurrences of Fe-Mg-carpholite-bearing rocks. This discovery leads to the very first consideration that both nappe complexes recorded HP-LT metamorphic conditions during the Alpine orogenesis. P-T conditions for the HP metamorphic peak are about 10-12 kbar/400°C in the Lycian Nappes, and 12-14 kbar/470-500°C in the southern Menderes Massif, documenting a burial of at least 30 km during subduction and nappe stacking. Ductile deformation analysis in concert with multi-equilibrium thermobarometric calculations reveals that metasediments from the Lycian Nappes recorded distinct exhumation patterns after a common HP metamorphic peak. The rocks located far from the contact separating the Lycian Nappes and the Menderes Massif, where HP parageneses are well preserved, retained a single HP cooling path associated with top-to-the-NNE shearing related to the Akçakaya shear zone. This zone of strain localization is an intra-nappe contact that was active in the early stages of exhumation of HP rocks, within the stability field of Fe-Mg-carpholite. The rocks located close to the contact with the Menderes Massif, where HP parageneses are completely retrogressed into chlorite and mica, recorded warmer exhumation paths associated with top-to-the-E intense shearing. This deformation occurred after the southward emplacement of Lycian Nappes, and is contemporaneous with the reactivation of the ’Lycian Nappes-Menderes Massif′ contact as a major shear zone (the Gerit shear zone) that allowed late exhumation of HP parageneses under warmer conditions. The HP rocks from the southern Menderes Massif recorded a simple isothermal decompression at about 450°C during exhumation, and deformation during HP event and its exhumation is characterized by a severe N-S to NE-SW stretching. The age of the HP metamorphism recorded in the Lycian Nappes is assumed to range between the Latest Cretaceous (age of the youngest sediments in the Lycian allochthonous unit) and the Eocene (age of the Cycladic Blueschists). A probable Palaeocene age is suggested. The age of the HP metamorphism that affected the cover series of the Menderes Massif is constrained between the Middle Palaeocene (age of the uppermost metaolistostrome of the Menderes ’cover′) and the Middle Eocene (age of the HP metamorphism in the Dilek-Selçuk region that belongs to the Cycladic Complex). Apatite fission track data for the rocks on both sides of the ’Lycian Nappes/Menderes Massif’ contact suggest that these rocks were very close to the paleo-Earth surface in the Late Oligocene-Early Miocene time. This study in the Lycian Nappes and in the Menderes Massif establishes the existence of an extensive Alpine HP metamorphic belt in southwest Turkey. HP rocks were involved in the accretionary complex related to northward-verging subduction of the Neo-Tethys Ocean, Late Cretaceous obduction and subsequent Early Tertiary continental collision of the passive margin (Anatolide-Tauride block) beneath the active margin of the northern plate (Sakarya micro-continent). During the Eocene, the accretionary complex was made of three stacked HP units. The lowermost corresponds to the imbricated ’core′ and HP ’cover′ of the Menderes Massif, the intermediate one consists of the Cycladic Blueschist Complex (Dilek-Selçuk unit), and the uppermost unit is made of the HP Lycian Nappes. Whereas the basement units of both Aegean and Anatolian regions underwent a different pre-Mesozoic tectonic history, they were probably juxtaposed by the end of the Paleozoic and underwent a common Mesozoic history. Then, the basements and their cover, as well as the Cycladic Blueschists and the Lycian Nappes were involved in similar evolutional accretionary complexes during the Eocene and Oligocene times.
A polymer is a large molecule made up of many elementary chemical units, joined together by covalent bonds (for example, polyethylene). Polyelectrolytes (PELs) are polymer chains containing a certain amount of ionizable monomers. With their specific properties PELs acquire big importance in molecular and cell biology as well as in technology. Compared to neutral polymers the theory of PELs is less understood. In particular, this is valid for PELs in poor solvents. A poor solvent environment causes an effective attraction between monomers. Hence, for PELs in a poor solvent, there occurs a competition between attraction and repulsion. Strong or quenched PELs are completely dissociated at any accessible pH. The position of charges along the chain is fixed by chemical synthesis. On the other hand, in weak or annealed PELs dissociation of charges depends on solution pH. For the first time the simulation results have given direct evidence that at rather poor solvents an annealed PEL indeed undergoes a first-order phase transition when the chemical potential (solution pH) reaches at a certain value. The discontinuous transition occurs between a weakly charged compact globular structure and a strongly charged stretched configuration. At not too poor solvents theory predicts that globule would become unstable with respect to the formation of pearl-necklaces. The results show that pearl-necklaces exist in annealed PELs indeed. Furthermore, as predicted by theory, the simulation results have shown that annealed PELs display a sharp transition from a highly charged stretched state to a weakly charged globule at a critical salt concentration.
The dissertation examines aspects of the interlingual lexical processes of word recognition and word retrieval in Hungarian-German bilinguals learning English as a foreign language, with particular respect to the role of cognates. The purpose of the study is to describe the process of lexical activaton in a polyglot system and to model the mental lexicons and the ways entries in the lexicons are connected and activated (e.g. activation through direct word association or through concept mediation). Three dependent variables are studied in quantitative and qualitative analysis of empirical data taken from experiments: rate of accurate responses, response latencies and phonological interference. The results of the experiments are interpreted in the framework of a multiple language network model.
Die vorliegende Arbeit beschäftigt sich mit der Charakterisierung von Seismizität anhand von Erdbebenkatalogen. Es werden neue Verfahren der Datenanalyse entwickelt, die Aufschluss darüber geben sollen, ob der seismischen Dynamik ein stochastischer oder ein deterministischer Prozess zugrunde liegt und was daraus für die Vorhersagbarkeit starker Erdbeben folgt. Es wird gezeigt, dass seismisch aktive Regionen häufig durch nichtlinearen Determinismus gekennzeichent sind. Dies schließt zumindest die Möglichkeit einer Kurzzeitvorhersage ein. Das Auftreten seismischer Ruhe wird häufig als Vorläuferphaenomen für starke Erdbeben gedeutet. Es wird eine neue Methode präsentiert, die eine systematische raumzeitliche Kartierung seismischer Ruhephasen ermöglicht. Die statistische Signifikanz wird mit Hilfe des Konzeptes der Ersatzdaten bestimmt. Als Resultat erhält man deutliche Korrelationen zwischen seismischen Ruheperioden und starken Erdbeben. Gleichwohl ist die Signifikanz dafür nicht hoch genug, um eine Vorhersage im Sinne einer Aussage über den Ort, die Zeit und die Stärke eines zu erwartenden Hauptbebens zu ermöglichen.