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Answer Set Programming (ASP) is an emerging paradigm for declarative programming, in which a computational problem is specified by a logic program such that particular models, called answer sets, match solutions. ASP faces a growing range of applications, demanding for high-performance tools able to solve complex problems. ASP integrates ideas from a variety of neighboring fields. In particular, automated techniques to search for answer sets are inspired by Boolean Satisfiability (SAT) solving approaches. While the latter have firm proof-theoretic foundations, ASP lacks formal frameworks for characterizing and comparing solving methods. Furthermore, sophisticated search patterns of modern SAT solvers, successfully applied in areas like, e.g., model checking and verification, are not yet established in ASP solving. We address these deficiencies by, for one, providing proof-theoretic frameworks that allow for characterizing, comparing, and analyzing approaches to answer set computation. For another, we devise modern ASP solving algorithms that integrate and extend state-of-the-art techniques for Boolean constraint solving. We thus contribute to the understanding of existing ASP solving approaches and their interconnections as well as to their enhancement by incorporating sophisticated search patterns. The central idea of our approach is to identify atomic as well as composite constituents of a propositional logic program with Boolean variables. This enables us to describe fundamental inference steps, and to selectively combine them in proof-theoretic characterizations of various ASP solving methods. In particular, we show that different concepts of case analyses applied by existing ASP solvers implicate mutual exponential separations regarding their best-case complexities. We also develop a generic proof-theoretic framework amenable to language extensions, and we point out that exponential separations can likewise be obtained due to case analyses on them. We further exploit fundamental inference steps to derive Boolean constraints characterizing answer sets. They enable the conception of ASP solving algorithms including search patterns of modern SAT solvers, while also allowing for direct technology transfers between the areas of ASP and SAT solving. Beyond the search for one answer set of a logic program, we address the enumeration of answer sets and their projections to a subvocabulary, respectively. The algorithms we develop enable repetition-free enumeration in polynomial space without being intrusive, i.e., they do not necessitate any modifications of computations before an answer set is found. Our approach to ASP solving is implemented in clasp, a state-of-the-art Boolean constraint solver that has successfully participated in recent solver competitions. Although we do here not address the implementation techniques of clasp or all of its features, we present the principles of its success in the context of ASP solving.
Genetic variation is crucial for the long-term survival of the species as it provides the potential for adaptive responses to environmental changes such as emerging diseases. The Major Histocompatibility Complex (MHC) is a gene family that plays a central role in the vertebrate’s immune system by triggering the adaptive immune response after exposure to pathogens. MHC genes have become highly suitable molecular markers of adaptive significance. They synthesize two primary cell surface molecules namely MHC class I and class II that recognize short fragments of proteins derived respectively from intracellular (e.g. viruses) and extracellular (e.g. bacteria, protozoa, arthropods) origins and present them to immune cells. High levels of MHC polymorphism frequently observed in natural populations are interpreted as an adaptation to detect and present a wide array of rapidly evolving pathogens. This variation appears to be largely maintained by positive selection driven mainly by pathogenic selective pressures. For my doctoral research I focused on MHC I and II variation in free-ranging cheetahs (Acinonyx jubatus) and leopards (Panthera pardus) on Namibian farmlands. Both felid species are sympatric thus subject to similar pathogenic pressures but differ in their evolutionary and demographic histories. The main aims were to investigate 1) the extent and patterns of MHC variation at the population level in both felids, 2) the association between levels of MHC variation and disease resistance in free-ranging cheetahs, and 3) the role of selection at different time scales in shaping MHC variation in both felids. Cheetahs and leopards represent the largest free-ranging carnivores in Namibia. They concentrate in unprotected areas on privately owned farmlands where domestic and other wild animals also occur and the risk of pathogen transmission is increased. Thus, knowledge on adaptive genetic variation involved in disease resistance may be pertinent to both felid species’ conservation. The cheetah has been used as a classic example in conservation genetics textbooks due to overall low levels of genetic variation. Reduced variation at MHC genes has been associated with high susceptibility to infectious diseases in cheetahs. However, increased disease susceptibility has only been observed in captive cheetahs whereas recent studies in free-ranging Namibian cheetahs revealed a good health status. This raised the question whether the diversity at MHC I and II genes in free-ranging cheetahs is higher than previously reported. In this study, a total of 10 MHC I alleles and four MHC II alleles were observed in 149 individuals throughout Namibia. All alleles but one likely belong to functional MHC genes as their expression was confirmed. The observed alleles belong to four MHC I and three MHC II genes in the species as revealed by phylogenetic analyses. Signatures of historical positive selection acting on specific sites that interact directly with pathogen-derived proteins were detected in both MHC classes. Furthermore, a high genetic differentiation at MHC I was observed between Namibian cheetahs from east-central and north-central regions known to differ substantially in exposure to feline-specific viral pathogens. This suggests that the patterns of MHC I variation in the current population mirrors different pathogenic selective pressure imposed by viruses. Cheetahs showed low levels of MHC diversity compared with other mammalian species including felids, but this does not seem to influence the current immunocompetence of free-ranging cheetahs in Namibia and contradicts the previous conclusion that the cheetah is a paradigm species of disease susceptibility. However, it cannot be ruled out that the low MHC variation might limit a prosperous immunocompetence in the case of an emerging disease scenario because none of the remaining alleles might be able to recognize a novel pathogen. In contrast to cheetahs, leopards occur in most parts of Africa being perhaps the most abundant big cat in the continent. Leopards seem to have escaped from large-scale declines due to epizootics in the past in contrast to some free-ranging large carnivore populations in Africa that have been afflicted by epizootics. Currently, no information about the MHC sequence variation and constitution in African leopards exists. In this study, I characterized genetic variation at MHC I and MHC II genes in free-ranging leopards from Namibia. A total of six MHC I and six MHC II sequences were detected in 25 individuals from the east-central region. The maximum number of sequences observed per individual suggests that they likely correspond to at least three MHC I and three MHC II genes. Hallmarks of MHC evolution were confirmed such as historical positive selection, recombination and trans-species polymorphism. The low MHC variation detected in Namibian leopards is not conclusive and further research is required to assess the extent of MHC variation in different areas of its geographic range. Results from this thesis will contribute to better understanding the evolutionary significance of MHC and conservation implications in free-ranging felids. Translocation of wildlife is an increasingly used management tool for conservation purposes that should be conducted carefully as it may affect the ability of the translocated animals to cope with different pathogenic selective pressures.
Subcellular compartmentation of primary carbon metabolism in mesophyll cells of Arabidopsis thaliana
(2011)
Metabolism in plant cells is highly compartmented, with many pathways involving reactions in more than one compartment. For example, during photosynthesis in leaf mesophyll cells, primary carbon fixation and starch synthesis take place in the chloroplast, whereas sucrose is synthesized in the cytosol and stored in the vacuole. These reactions are tightly regulated to keep a fine balance between the carbon pools of the different compartments and to fulfil the energy needs of the organelles. I applied a technique which fractionates the cells under non-aqueous conditions, whereby the metabolic state is frozen at the time of harvest and held in stasis throughout the fractionation procedure. With the combination of non-aqueous fractionation and mass spectrometry based metabolite measurements (LC-MS/MS, GC-MS) it was possible to investigate the intracellular distributions of the intermediates of photosynthetic carbon metabolism and its products in subsequent metabolic reactions. With the knowledge about the in vivo concentrations of these metabolites under steady state photosynthesis conditions it was possible to calculate the mass action ratio and change in Gibbs free energy in vivo for each reaction in the pathway, to determine which reactions are near equilibrium and which are far removed from equilibrium. The Km value and concentration of each enzyme were compared with the concentrations of its substrates in vivo to assess which reactions are substrate limited and so sensitive to changes in substrate concentration. Several intermediates of the Calvin-Benson cycle are substrates for other pathways, including dihydroxyacetone-phosphate (DHAP,sucrose synthesis), fructose 6-phosphate (Fru6P, starch synthesis), erythrose 4-phosphate (E4P,shikimate pathway) and ribose 5-phosphate (R5P, nucleotide synthesis). Several of the enzymes that metabolise these intermediates, and so lie at branch points in the pathway, are triose-phosphate isomerase (DHAP), transketolase (E4P, Fru6P), sedoheptulose-1,7-bisphosphate aldolase (E4P) and ribose-5-phosphate isomerase (R5P) are not saturated with their respective substrate as the metabolite concentration is lower than the respective Km value. In terms of metabolic control these are the steps that are most sensitive to changes in substrate availability, while the regulated irreversible reactions of fructose-1,6-bisphosphatase and sedoheptulose-1,7-bisphosphatase are relatively insensitive to changes in the concentrations of their substrates. In the pathway of sucrose synthesis it was shown that the concentration of the catalytic binding site of the cytosolic aldolase is lower than the substrate concentration of DHAP, and that the concentration of Suc6P is lower than the Km of sucrose-phosphatase for this substrate. Both the sucrose-phosphate synthase and sucrose-phosphatase reactions are far removed from equilibrium in vivo. In wild type A. thaliana Columbia-0 leaves, all of the ADPGlc was found to be localised in the chloroplasts. ADPglucose pyrophosphorylase is localised to the chloroplast and synthesises ADPGlc from ATP and Glc1P. This distribution argues strongly against the hypothesis proposed by Pozueta-Romero and colleagues that ADPGlc for starch synthesis is produced in the cytosol via ADP-mediated cleavage of sucrose by sucrose synthase. Based on this observation and other published data it was concluded that the generally accepted pathway of starch synthesis from ADPGlc produced by ADPglucose pyrophosphorylase in the chloroplasts is correct, and that the alternative pathway is untenable. Within the pathway of starch synthesis the concentration of ADPGlc was found to be well below the Km value of starch synthase for ADPGlc, indicating that the enzyme is substrate limited. A general finding in the comparison of the Calvin-Benson cycle with the synthesis pathways of sucrose and starch is that many enzymes in the Calvin Benson cycle have active binding site concentrations that are close to the metabolite concentrations, while for nearly all enzymes in the synthesis pathways the active binding site concentrations are much lower than the metabolite concentrations.
AM symbiosis has a positive influence on plant P-nutrition and growth, but little is known about the molecular mechanism of the symbiosis adaptation to different phosphate conditions. The recently described induction of several pri-miR399 transcripts in mycorrhizal shoots and subsequent accumulation of mature miR399 in mycorrhizal roots indicates that local PHO2 expression must be controlled during symbiosis, presumably in order to sustain AM symbiosis development, in spite of locally increased Pi-concentration. A reverse genetic approach used in this study demonstrated that PHO2 and thus the PHR1-miR399-PHO2 signaling pathway, is involved in certain stages of progressive root colonization. In addition, a transcriptomic approach using a split-root system provided a comprehensive insight into the systemic transcriptional changes in mycorrhizal roots and shoots of M. truncatula in response to high phosphate conditions. With regard to the transcriptional responses of the root system, the results indicate that, although the colonization is drastically reduced, AM symbiosis is still functional at high Pi concentrations and might still be beneficial to the plant. Additionally, the data suggest that a specific root-borne mycorrhizal signal systemically induces protein synthesis, amino acid metabolism and photosynthesis at low Pi conditions, which is abolished at high Pi conditions. MiRNAs, such as miR399, are involved in long-distance signaling and are therefore potential systemic signals involved in AM symbiosis. A deep-sequencing approach identified 243 novel miRNAs in the root tissue of M. truncatula. Read-count analysis, qRT-PCR measurements and in situ hybridizations clearly indicated a regulation of miR5229a/b, miR5204, miR160f*, miR160c, miR169 and miR169d*/l*/m*/e.2* during arbuscular mycorrhizal symbiosis. Moreover, miR5204* represses a GRAS TF, which is specifically transcribed in mycorrhizal roots. Since miR5204* is induced by high Pi it might represent a further Pi status-mediating signal beside miR399. This study provides additional evidence that MtNsp2, a key regulator of symbiosis-signaling, is regulated and presumably spatially restricted by miR171h cleavage. In summary, a repression of mycorrhizal root colonization at high phosphate status is most likely due to a repression of the phosphate starvation responses and the loss of beneficial responses in mycorrhizal shoots. These findings provide a new basis for investigating the regulatory network leading to cellular reprogramming during interaction between plants, arbuscular mycorrhizal fungi and different phosphate conditions.
Block copolymers are receiving increasing attention in the literature. Reports on amphiphilic block copolymers have now established the basis of their self-assembly behavior: aggregate sizes, morphologies and stability can be explained from the absolute and relative block lengths, the nature of the blocks, the architecture and also solvent selectiveness. In water, self-assembly of amphiphilic block copolymers is assumed to be driven by the hydrophobic. The motivation of this thesis is to study the influence on the self-assembly in water of A b B type block copolymers (with A hydrophilic) of the variation of the hydrophilicity of B from non-soluble (hydrophobic) to totally soluble (hydrophilic). Glucose-modified polybutadiene-block-poly(N-isopropylacrylamide) copolymers were prepared and their self-assembly behavior in water studied. The copolymers formed vesicles with an asymmetric membrane with a glycosylated exterior and poly(N-isopropylacrylamide) on the inside. Above the low critical solution temperature (LCST) of poly(N-isopropylacrylamide), the structure collapsed into micelles with a hydrophobic PNIPAM core and glycosylated exterior. This collapse was found to be reversible. As a result, the structures showed a temperature-dependent interaction with L-lectin proteins and were shown to be able to encapsulate organic molecules. Several families of double hydrophilic block copolymers (DHBC) were prepared. The blocks of these copolymers were biopolymers or polymer chimeras used in aqueous two-phase partition systems. Copolymers based on dextran and poly(ethylene glycol) blocks were able to form aggregates in water. Dex6500-b-PEG5500 copolymer spontaneously formed vesicles with PEG as the “less hydrophilic” barrier and dextran as the solubilizing block. The aggregates were found to be insensitive to the polymer's architecture and concentration (in the dilute range) and only mildly sensitive to temperature. Variation of the block length, yielded different morphologies. A longer PEG chain seemed to promote more curved aggregates following the inverse trend usually observed in amphiphilic block copolymers. A shorter dextran promoted vesicular structures as usually observed for the amphiphilic counterparts. The linking function was shown to have an influence of the morphology but not on the self-assembly capability in itself. The vesicles formed by dex6500-b-PEG5500 showed slow kinetics of clustering in the presence of Con A lectin. In addition both dex6500-b-PEG5500 and its crosslinked derivative were able to encapsulate fluorescent dyes. Two additional dextran-based copolymers were synthesized, dextran-b-poly(vinyl alcohol) and dextran-b-poly(vinyl pyrrolidone). The study of their self-assembly allowed to conclude that aqueous two-phase systems (ATPS) is a valid source of inspiration to conceive DHBCs capable of self-assembling. In the second part the principle was extended to polypeptide systems with the synthesis of a poly(N-hydroxyethylglutamine)-block-poly(ethylene glycol) copolymer. The copolymer that had been previously reported to have emulsifying properties was able to form vesicles by direct dissolution of the solid in water. Last, a series of thermoresponsive copolymers were prepared, dextran-b-PNIPAMm. These polymers formed aggregates below the LCST. Their structure could not be unambiguously elucidated but seemed to correspond to vesicles. Above the LCST, the collapse of the PNIPAM chains induced the formation of stable objects of several hundreds of nanometers in radius that evolved with increasing temperature. The cooling of these solution below LCST restored the initial aggregates. This self-assembly of DHBC outside any stimuli of pH, ionic strength, or temperature has only rarely been described in the literature. This work constituted the first formal attempt to frame the phenomenon. Two reasons were accounted for the self-assembly of such systems: incompatibility of the polymer pairs forming the two blocks (enthalpic) and a considerable solubility difference (enthalpic and entropic). The entropic contribution to the positive Gibbs free energy of mixing is believed to arise from the same loss of conformational entropy that is responsible for “the hydrophobic effect” but driven by a competition for water of the two blocks. In that sense this phenomenon should be described as the “hydrophilic effect”.
The Casimir-Polder interaction between a single neutral atom and a nearby surface, arising from the (quantum and thermal) fluctuations of the electromagnetic field, is a cornerstone of cavity quantum electrodynamics (cQED), and theoretically well established. Recently, Bose-Einstein condensates (BECs) of ultracold atoms have been used to test the predictions of cQED. The purpose of the present thesis is to upgrade single-atom cQED with the many-body theory needed to describe trapped atomic BECs. Tools and methods are developed in a second-quantized picture that treats atom and photon fields on the same footing. We formulate a diagrammatic expansion using correlation functions for both the electromagnetic field and the atomic system. The formalism is applied to investigate, for BECs trapped near surfaces, dispersion interactions of the van der Waals-Casimir-Polder type, and the Bosonic stimulation in spontaneous decay of excited atomic states. We also discuss a phononic Casimir effect, which arises from the quantum fluctuations in an interacting BEC.
Active Galactic Nuclei (AGN) are powered by gas accretion onto supermassive Black Holes (BH). The luminosity of AGN can exceed the integrated luminosity of their host galaxies by orders of magnitude, which are then classified as Quasi-Stellar Objects (QSOs). Some mechanisms are needed to trigger the nuclear activity in galaxies and to feed the nuclei with gas. Among several possibilities, such as gravitational interactions, bar instabilities, and smooth gas accretion from the environment, the dominant process has yet to be identified. Feedback from AGN may be important an important ingredient of the evolution of galaxies. However, the details of this coupling between AGN and their host galaxies remain unclear. In this work we aim to investigate the connection between the AGN and their host galaxies by studying the properties of the extendend ionised gas around AGN. Our study is based on observations of ~50 luminous, low-redshift (z<0.3) QSOs using the novel technique of integral field spectroscopy that combines imaging and spectroscopy. After spatially separating the emission of AGN-ionised gas from HII regions, ionised solely by recently formed massive stars, we demonstrate that the specific star formation rates in several disc-dominated AGN hosts are consistent with those of normal star forming galaxies, while others display no detectable star formation activity. Whether the star formation has been actively suppressed in those particular host galaxies by the AGN, or their gas content is intrinsically low, remains an open question. By studying the kinematics of the ionised gas, we find evidence for non-gravitational motions and outflows on kpc scales only in a few objects. The gas kinematics in the majority of objects however indicate a gravitational origin. It suggests that the importance of AGN feedback may have been overrated in theoretical works, at least at low redshifts. The [OIII] line is the strongest optical emission line for AGN-ionised gas, which can be extended over several kpc scales, usually called the Narrow-Line Region (NLR). We perform a systematic investigation of the NLR size and determine a NLR size-luminosity relation that is consistent with the scenario of a constant ionisation parameter throughout the NLR. We show that previous narrow-band imaging with the Hubble Space Telescope underestimated the NLR size by a factor of >2 and that the continuum AGN luminosity is better correlated with the NLR size than the [OIII] luminosity. These affects may account for the different NLR size-luminosity relations reported in previous studies. On the other hand, we do not detect extended NLRs around all QSOs, and demonstrate that the detection of extended NLRs goes along with radio emission. We employ emission line ratios as a diagnostic for the abundance of heavy elements in the gas, i.e. its metallicity, and find that the radial metallicity gradients are always flatter than in inactive disc-dominated galaxies. This can be interpreted as evidence for radial gas flows from the outskirts of these galaxies to the nucleus. Recent or ongoing galaxy interactions are likely responsible for this effect and may turn out to be a common prerequisite for QSO activity. The metallicity of bulge-dominated hosts are systematically lower than their disc-dominated counterparts, which we interpret as evidence for minor mergers, supported by our detailed study of the bulge-dominated host of the luminous QSO HE 1029-1401, or smooth gas accretion from the environment. In this line another new discovery is that HE 2158-0107 at z=0.218 is the most metal poor luminous QSO ever observed. Together with a large (30kpc) extended structure of low metallicity ionised gas, we propose smooth cold gas accretion as the most likely scenario. Theoretical studies suggested that this process is much more important at earlier epochs of the universe, so that HE 2158-0107 might be an ideal laboratory to study this mechanism of galaxy and BH growth at low redshift more detailed in the furture.
In this thesis, simulations of laser-driven many-electron dynamics in molecules are presented, i.e., the interaction between molecules and an electromagnetic field is demonstrated. When a laser field is applied to a molecular system, a population of higher electronic states takes place as well as other processes, e.g. photoionization, which is described by an appropriate model. Also, a finite lifetime of an excited state can be described by such a model. In the second part, a method is postulated that is capable of describing electron correlation in a time-dependent scheme. This is done by introducing a single-electron entropy that is at least temporarily minimized in a further step.
The lakes of the East African Rift System (EARS) have been intensively studied to better understand the influence of climate change on hydrological systems. The exceptional sensitivity of these rift lakes, however, is both a challenge and an opportunity when trying to reconstruct past climate changes from changes in the hydrological budget of lake basins on timescales 100 to 104 years. On one hand, differences in basin geometrics (shape, area, volume, depth), catchment rainfall distributions and varying erosion-deposition rates complicate regional interpretation of paleoclimate information from lacustrine sediment proxies. On the other hand, the sensitivity of rift lakes often provides paleoclimate records of excellent quality characterized by a high signal-to-noise ratio. This study aims at better understanding of the climate-proxy generating process in rift lakes by parameterizing the geomorphological and hydroclimatic conditions of a particular site providing a step towards the establishment of regional calibrations of transfer functions for climate reconstructions. The knowledge of the sensitivity of a lake basin to climate change furthermore is crucial for a better assessment of the probability of catastrophic changes in the future, which bear risks for landscapes, ecosystems, and organisms of all sorts, including humans. Part 1 of this thesis explores the effect of the morphology and the effective moisture of a lake catchment. The availability of digital elevation models (DEM) and gridded climate data sets facilitates the comparison of the morphological and hydroclimatic conditions of rift lakes. I used the hypsometric integral (HI) calculated from Shuttle Radar Topography Mission (SRTM) data to describe the morphology of ten lake basins in Kenya and Ethiopia. The aridity index (AI) describing the difference in the precipitation/evaporation balance within a catchment was used to compare the hydroclimatic of these basins. Correlating HI and AI with published Holocene lake-level variations revealed that lakes responding sensitively to relatively moderate climate change are typically graben shaped and characterized by a HI between 0.23-0.30, and relatively humid conditions with AI >1. These amplifier lakes, a term first introduced but not fully parameterized by Alayne Street-Perrott in the early 80s, are unexceptionally located in the crest of the Kenyan and Ethiopian domes. The non-amplifier lakes in the EARS either have lower HI 0.13-0.22 and higher AI (>1) or higher HI (0.31-0.37) and low AI (<1), reflecting pan-shaped morphologies with more arid hydroclimatic conditions. Part 2 of this work addresses the third important factor to be considered when using lake-level and proxy records to unravel past climate changes in the EARS: interbasin connectivity and groundwater flow through faulted and porous subsurface lithologies in a rift setting. First, I have compiled the available hydrogeological data including lithology, resistivity and water-well data for the adjacent Naivasha and Elmenteita-Nakuru basins in the Central Kenya Rift. Using this subsurface information and established records of lake-level decline at the last wet-dry climate transitions, i.e., the termination of the African Humid Period (AHP, 15 to 5 kyr BP), I used a linear decay model to estimate typical groundwater flow between the two basins. The results suggest a delayed response of the groundwater levels of ca. 5 kyrs if no recharge of groundwater occurs during the wet-dry transition, whereas the lag is 2-2.7 kyrs only using the modern recharge of ca. 0.52 m/yr. The estimated total groundwater flow from higher Lake Naivasha (1,880 m a.s.l. during the AHP) to Nakuru-Elmenteita (1,770 m) was 40 cubic kilometers. The unexpectedly large volume, more than half of the volume of the paleo-Lake Naivasha during the Early Holocene, emphasizes the importance of groundwater in hydrological modeling of paleo-lakes in rifts. Moreover, the subsurface connectivity of rift lakes also causes a significant lag time to the system introducing a nonlinear component to the system that has to be considered while interpreting paleo-lake records. Part 3 of this thesis investigated the modern intraseasonal precipitation variability within eleven lake basins discussed in the first section of the study excluding Lake Victoria and including Lake Tana. Remotely sensed rainfall estimates (RFE) from FEWS NET for 1996-2010, are used for the, March April May (MAM) July August September (JAS), October November (ON) and December January February (DJF). The seasonal precipitation are averaged and correlated with the prevailing regional and local climatic mechanisms. Results show high variability with Biennial to Triennial precipitation patterns. The spatial distribution of precipitation in JAS are linked to the onset and strength of the Congo Air Boundary (CAB) and Indian Summer Monsoon (ISM) dynamics. while in ON they are related to the strength of Positive ENSO and IOD phases This study describes the influence of graben morphologies, extreme climate constrasts within catchments and basins connectivity through faults and porous lithologies on rift lakes. Hence, it shows the importance of a careful characterization of a rift lake by these parameters prior to concluding from lake-level and proxy records to climate changes. Furthermore, this study highlights the exceptional sensitivity of rift lakes to relatively moderate climate change and its consequences for water availability to the biosphere including humans.
Soil moisture is a key state variable that controls runoff formation, infiltration and partitioning of radiation into latent and sensible heat. However, the experimental characterisation of near surface soil moisture patterns and their controls on runoff formation remains a challenge. This subject was one aspect of the BMBF-funded OPAQUE project (operational discharge and flooding predictions in head catchments). As part of that project the focus of this dissertation is on: (1) testing the methodology and feasibility of the Spatial TDR technology in producing soil moisture profiles along TDR probes, including an inversion technique of the recorded signal in heterogeneous field soils, (2) the analysis of spatial variability and temporal dynamics of soil moisture at the field scale including field experiments and hydrological modelling, (3) the application of models of different complexity for understanding soil moisture dynamics and its importance for runoff generation as well as for improving the prediction of runoff volumes. To fulfil objective 1, several laboratory experiments were conducted to understand the influence of probe rod geometry and heterogeneities in the sampling volume under different wetness conditions. This includes a detailed analysis on how these error sources affect retrieval of soil moisture profiles in soils. Concerning objective 2 a sampling strategy of two TDR clusters installed in the head water of the Wilde Weißeritz catchment (Eastern Ore Mountains, Germany) was used to investigate how well “the catchment state” can be characterised by means of distributed soil moisture data observed at the field scale. A grassland site and a forested site both located on gentle slopes were instrumented with two Spatial TDR clusters that consist of up to 39 TDR probes. Process understanding was gained by modelling the interaction of evapotranspiration and soil moisture with the hydrological process model CATFLOW. A field scale irrigation experiment was carried out to investigate near subsurface processes at the hillslope scale. The interactions of soil moisture and runoff formation were analysed using discharge data from three nested catchments: the Becherbach with a size of 2 km², the Rehefeld catchment (17 km²) and the superordinate Ammelsdorf catchment (49 km²). Statistical analyses including observations of pre-event runoff, soil moisture and different rainfall characteristics were employed to predict stream flow volume. On the different scales a strong correlation between the average soil moisture and the runoff coefficients of rainfall-runoff events could be found, which almost explains equivalent variability as the pre-event runoff. Furthermore, there was a strong correlation between surface soil moisture and subsurface wetness with a hysteretic behaviour between runoff soil moisture. To fulfil objective 3 these findings were used in a generalised linear model (GLM) analysis which combines state variables describing the catchments antecedent wetness and variables describing the meteorological forcing in order to predict event runoff coefficients. GLM results were compared to simulations with the catchment model WaSiM ETH. Hereby were the model results of the GLMs always better than the simulations with WaSiM ETH. The GLM analysis indicated that the proposed sampling strategy of clustering TDR probes in typical functional units is a promising technique to explore soil moisture controls on runoff generation and can be an important link between the scales. Long term monitoring of such sites could yield valuable information for flood warning and forecasting by identifying critical soil moisture conditions for the former and providing a better representation of the initial moisture conditions for the latter.