Thousands of chemicals from daily use are being discharged from civilization into the water cycle via different pathways. Ingredients of personal care products, detergents, pharmaceuticals, pesticides, and industrial chemicals thus find their way into the aquatic ecosystems and may cause adverse impacts on the ecology. Pharmaceuticals for instance, represent a central group of anthropogenic chemicals, because of their designed potency to interfere with physiological functions in organisms. Ecotoxicological effects from pharmaceutical burden have been verified in the past. Therapeutic groups with pronounced endocrine disrupting potentials such as steroid hormones gain increasing focus in environmental research as it was reported that they cause endocrine disruption in aquatic organisms even when exposed to environmentally relevant concentrations. This thesis considers the comprehensive investigation of the occurrence of corticosteroids and progestogens in wastewater treatment plant (WWTP) effluents and surface waters as well as the elucidation of the fate and biodegradability of these steroid families during activated sludge treatment. For the first goal of the thesis, a robust and highly sensitive analytical method based on liquid chromatography-tandem mass spectrometry (LC-MS/MS) was developed in order to simultaneously determine the occurrence of around 60 mineralocorticoids, glucocorticoids and progestogens in the aquatic environment. A special focus was set to the compound selection due to the diversity of marketed synthetic steroids. Some analytical challenges have been approved by individual approaches regarding sensitivity enhancement and compound stabilities. These results may be important for further research in environmental analysis of steroid hormones. Reliable and low quantification limits are the perquisite for the determination of corticosteroids and progestogens at relevant concentrations due to low consumption volumes and simultaneously low effect-based trigger values. Achieved quantification limits for all target analytes ranged between 0.02 ng/L and 0.5 ng/L in surface water and 0.05 ng/L to 5 ng/L in WWTP effluents. This sensitivity enabled the detection of three mineralocorticoids, 23 glucocorticoids and 10 progestogens within the sampling campaign around Germany. Many of them were detected for the first time in the environment, particularly in Germany and the EU. To the best of our knowledge, this in-depth steroid screening provided a good overview of single steroid burden and allowed for the identification of predominantly steroids of each steroid type analyzed for the first time. The frequent detection of highly potent synthetic steroids (e.g. triamcinolone acetonide, clobetasol propionate, betamethasone valerate, dienogest, cyproterone acetate) highlighted insufficient removal during conventional Summary wastewater treatment and indicated the need for regulation to control their emission since the steroid concentrations were found to be above the reported effect-based trigger values for biota. Overall, the study revealed reliable environmental data of poorly or even not analyzed steroids. The results complement the existing knowledge in this field but also providednew information which can beused particularly for compound prioritization in ecotoxicological research and environmental analysis. Based on the data obtained from the monitoring campaign, incubation experiments were conducted to enable the comparison of the biodegradability and transformation processes in activated sludge treatment for structure-related steroids under aerobic and standardized experimental conditions. The compounds were accurately selected to cover manifold structural moieties of commonly used glucocorticoids, including non-halogenated and halogenated steroids, their mono- and diesters, and several acetonide-type steroids. This approach allowed for a structure-based interpretation of the results. The obtained biodegradation rate constants suggested large variations in the biodegradability (half-lifes ranged from < 0.5 h to > 14 d). An increasing stability was identified in the order from non-halogenated steroids (e.g. hydrocortisone), over 9α-halogenated steroids (e.g. betamethasone), to C17-monoesters (e.g. betamethasone 17-valerate, clobetasol propionate), and finally to acetonides (e.g. triamcinolone acetonide), thus suggesting a strong relationship of the biodegradability with the glucocorticoid structure. Some explanations for this behavior have been received by identifying the transformation products (TPs) and elucidating individual transformation pathways. The results revealed the identification of the likelihood of transformation reactions depending on the chemical steroid structure for the first time. Among the identified TPs, the carboxylates (e.g. TPs of fluticasone propionate, triamcinolone acetonide) have been shown persistency in the subsequent incubation experiments. The newly identified TPs furthermore were frequently detected in the effluents of full-scale wastewater treatment plants. These findings emphasized i) the transferability of the lab-scale degradation experiments to real world and that ii) insufficient removals may cause adverse effects in the aquatic environment due to the ability of the precursor steroids and TPs to interact with the endocrine system in biota. For the last goal, the conceptual study for glucocorticoids was applied to progestogens. Here, two sub-types of the steroid family frequently used for hormonal contraception were selected (17α-hydroxyprogesterone and 19-norstestosterone type). The progestogens showed a fast and complete degradation within six hours, and thus empathizes pronounced biodegradability. However, cyproterone acetate and dienogest Summary have been found to be more recalcitrant in activated sludge treatment. This was consistent with their ubiquitously occurrence during the previous monitoring campaign. The elucidation of TPs again revealed some crucial information regarding the observed behavior and highlighted furthermore the formation of hazardous TPs. It was shown that 19-nortestosterone type steroids are able to undergo aromatization at ring A in contact with activated sludge, leading to the formation of estrogen-like TPs with a phenolic moiety at ring A. In the case of norethisterone the formation of 17α-ethinylestradiol was confirmed, which is a well-known potent synthetic estrogen with elevated ecotoxicological potency. Thus, the results indicated for the very first time an unknown source of estrogenic compounds, particularly for 17α-ethinylestradiol. In conclusion, some steroids were found to be very stable in activated sludge treatment, others degrade well, and others which do degrade but predominantly to active TPs depending on their chemical structure. Fluorinated acetal steroids such as triamcinolone acetonide and fluocinolone acetonide are poorly biodegradable, which is reflected in high concentrations detected ubiquitously in WWTP effluents. Endogenous steroids and their most related synthetic once such as hydrocortisone, prednisolone or 17α-hydroxyprogesterone are readily biodegradable. Regardless their high influent concentrations, they are almost completely removed in conventional WWTPs. Steroids between this range have been found to form elevated quantities of TPs which are partially still active, which particularly the case for betamethasone, fluticasone propionate, cyproterone acetate or dienogest. The thesis illustrates the need for an extensive evaluation of the environmental risks and carried out that corticosteroids and progestogens merit more attention in environmental regulatory and research than it is currently the case

In this thesis, the performance of the IceCube projects photon propagation code (clsim) is optimized. The process of GPU code analysis and perfor- mance optimization is described in detail. When run on the same hard- ware, the new version achieves a speedup of about 3x over the original implementation. Comparing the unmodified code on hardware currently used by IceCube (NVIDIA GTX 1080) against the optimized version run on a recent GPU (NVIDIA A100) a speedup of about 9.23x is observed. All changes made to the code are shown and their performance impact as well as the implications for simulation accuracy are discussed individually. The approach taken for optimization is then generalized into a recipe. Programmers can use it as a guide, when approaching large and complex GPU programs. In addition, the per warp job-queue, a design pattern used for load balancing among threads in a CUDA thread block, is discussed in detail.

Soziale Netzwerke spielen im Alltagsleben der Schülerinnen und Schüler eine entscheidende Rolle. Im Rahmen der vorliegenden Masterarbeit wurde ein Konzept für die Anzeige von Profilvorschlägen innerhalb des sozialen Netzwerks „InstaHub“, welches ein speziell für den Informatikunterricht programmiertes Werkzeug zum Thema „Datenbanken“ darstellt, entwickelt. Als Hürde stellte sich dabei dar, dass von den etablierten sozialen Netzwerken nur wenig bis gar keine Informationen über die Berechnung von Profil- oder Freundschaftsvorschlägen preisgegeben werden. Daher wurde zunächst das Wesen von Beziehungen zwischen Menschen in nicht-internetbasierten und in internetbasierten sozialen Netzwerken sowie die Gründe für Beziehungen zwischen Menschen in diesen Netzwerken dargelegt. Anhand der Beobachtung von Vorschlägen in anderen sozialen Netzwerken sowie der in InstaHub gespeicherten Nutzerdaten wurde ein Algorithmus für Profilvorschläge in InstaHub entworfen und mitsamt einer passenden Visualisierung entsprechend implementiert. Den zweiten Teil der Arbeit bildete eine Unterrichtseinheit für die Sekundarstufe II mit dem Thema Gefahren der Erzeugung und Verarbeitung von personenbezogenen Daten. In der Unterrichtseinheit dienen die Profilvorschläge in InstaHub, die auf von InstaHub über dessen Nutzer gesammelten Daten aufbauen, als Einstieg in die Thematik. Anschließend wird der Fokus von sozialen Netzwerken auf andere Online-Dienste erweitert und auf die Verarbeitung und Weitergabe dieser Daten eingegangen.

Habitat loss and fragmentation due to climate and land-use change are among the biggest threats to biodiversity, as the survival of species relies on suitable habitat area and the possibility to disperse between different patches of habitat. To predict and mitigate the effects of habitat loss, a better understanding of species dispersal is needed. Graph theory provides powerful tools to model metapopulations in changing landscapes with the help of habitat networks, where nodes represent habitat patches and links indicate the possible dispersal pathways between patches. This thesis adapts tools from graph theory and optimisation to study species dispersal on habitat networks as well as the structure of habitat networks and the effects of habitat loss. In chapter 1, I will give an introduction to the thesis and the different topics presented in this thesis. Chapter 2 will then give a brief summary of tools used in the thesis. In chapter 3, I present our model on possible range shifts for a generic species. Based on a graph-based dispersal model for a generic aquatic invertebrate with a terrestrial life stage, we developed an optimisation model that models dispersal directed to predefined habitat patches and yields a minimum time until these patches are colonised with respect to the given landscape structure and species dispersal capabilities. We created a time-expanded network based on the original habitat network and solved a mixed integer program to obtain the minimum colonisation time. The results provide maximum possible range shifts, and can be used to estimate how fast newly formed habitat patches can be colonised. Although being specific for this simulation model, the general idea of deriving a surrogate can in principle be adapted to other simulation models. Next, in chapter 4, I present our model to evaluate the robustness of metapopulations. Based on a variety of habitat networks and different generic species characterised by their dispersal traits and habitat demands, we modeled the permanent loss of habitat patches and subsequent metapopulation dynamics. The results show that species with short dispersal ranges and high local-extinction risks are particularly vulnerable to the loss of habitat across all types of networks. On this basis, we then investigated how well different graph-theoretic metrics of habitat networks can serve as indicators of metapopulation robustness against habitat loss. We identified the clustering coefficient of a network as the only good proxy for metapopulation robustness across all types of species, networks, and habitat loss scenarios. Finally, in chapter 5, I utilise the results obtained in chapter 4 to identify the areas in a network that should be improved in terms of restoration to maximise the metapopulation robustness under limited resources. More specifically, we exploit our findings that a network’s clustering coefficient is a good indicator for metapopulation robustness and develop two heuristics, a Greedy algorithm and a deducted Lazy Greedy algorithm, that aim at maximising the clustering coefficient of a network. Both algorithms can be applied to any network and are not specific to habitat networks only. In chapter 6, I will summarize the main findings of this thesis, discuss their limitations and give an outlook of future research topics. Overall this thesis develops frameworks to study the behaviour of habitat networks and introduces mathematical tools to ecology and thus narrows the gap between mathematics and ecology. While all models in this thesis were developed with a focus on aquatic invertebrates, they can easily be adapted to other metapopulations.

Ray tracing acceleration through dedicated data structures has long been an important topic in computer graphics. In general, two different approaches are proposed: spatial and directional acceleration structures. The thesis at hand presents an innovative combined approach of these two areas, which enables a further acceleration of the tracing process of rays. State-of-the-art spatial data structures are used as base structures and enhanced by precomputed directional visibility information based on a sophisticated abstraction concept of shafts within an original structure, the Line Space. In the course of the work, novel approaches for the precomputed visibility information are proposed: a binary value that indicates whether a shaft is empty or non-empty as well as a single candidate approximating the actual surface as a representative candidate. It is shown how the binary value is used in a simple but effective empty space skipping technique, which allows a performance gain in ray tracing of up to 40% compared to the pure base data structure, regardless of the spatial structure that is actually used. In addition, it is shown that this binary visibility information provides a fast technique for calculating soft shadows and ambient occlusion based on blocker approximations. Although the results contain a certain inaccuracy error, which is also presented and discussed, it is shown that a further tracing acceleration of up to 300% compared to the base structure is achieved. As an extension of this approach, the representative candidate precomputation is demonstrated, which is used to accelerate the indirect lighting computation, resulting in a significant performance gain at the expense of image errors. Finally, techniques based on two-stage structures and a usage heuristic are proposed and evaluated. These reduce memory consumption and approximation errors while maintaining the performance gain and also enabling further possibilities with object instancing and rigid transformations. All performance and memory values as well as the approximation errors are measured, presented and discussed. Overall, the Line Space is shown to result in a considerate improvement in ray tracing performance at the cost of higher memory consumption and possible approximation errors. The presented findings thus demonstrate the capability of the combined approach and enable further possibilities for future work.