TY - JOUR A1 - Arvidsson, Samuel Janne A1 - Perez-Rodriguez, Paulino A1 - Müller-Röber, Bernd T1 - A growth phenotyping pipeline for Arabidopsis thaliana integrating image analysis and rosette area modeling for robust quantification of genotype effects JF - New phytologist : international journal of plant science N2 - To gain a deeper understanding of the mechanisms behind biomass accumulation, it is important to study plant growth behavior. Manually phenotyping large sets of plants requires important human resources and expertise and is typically not feasible for detection of weak growth phenotypes. Here, we established an automated growth phenotyping pipeline for Arabidopsis thaliana to aid researchers in comparing growth behaviors of different genotypes. The analysis pipeline includes automated image analysis of two-dimensional digital plant images and evaluation of manually annotated information of growth stages. It employs linear mixed-effects models to quantify genotype effects on total rosette area and relative leaf growth rate (RLGR) and ANOVAs to quantify effects on developmental times. Using the system, a single researcher can phenotype up to 7000 plants d(-1). Technical variance is very low (typically < 2%). We show quantitative results for the growth-impaired starch-excessmutant sex4-3 and the growth-enhancedmutant grf9. We show that recordings of environmental and developmental variables reduce noise levels in the phenotyping datasets significantly and that careful examination of predictor variables (such as d after sowing or germination) is crucial to avoid exaggerations of recorded phenotypes and thus biased conclusions. KW - development KW - growth KW - leaf area KW - modeling KW - phenotyping Y1 - 2011 U6 - https://doi.org/10.1111/j.1469-8137.2011.03756.x SN - 0028-646X VL - 191 IS - 3 SP - 895 EP - 907 PB - Wiley-Blackwell CY - Malden ER - TY - THES A1 - Kneis, David T1 - A water quality model for shallow river-lake systems and its application in river basin management T1 - Ein Wassergütemodell für flache See-Fluss-Systeme und dessen Anwendung in der Einzugsgebietsbewirtschaftung N2 - This work documents the development and application of a new model for simulating mass transport and turnover in rivers and shallow lakes. The simulation tool called 'TRAM' is intended to complement mesoscale eco-hydrological catchment models in studies on river basin management. TRAM aims at describing the water quality of individual water bodies, using problem- and scale-adequate approaches for representing their hydrological and ecological characteristics. The need for such flexible water quality analysis and prediction tools is expected to further increase during the implementation of the European Water Framework Directive (WFD) as well as in the context of climate change research. The developed simulation tool consists of a transport and a reaction module with the latter being highly flexible with respect to the description of turnover processes in the aquatic environment. Therefore, simulation approaches of different complexity can easily be tested and model formulations can be chosen in consideration of the problem at hand, knowledge of process functioning, and data availability. Consequently, TRAM is suitable for both heavily simplified engineering applications as well as scientific ecosystem studies involving a large number of state variables, interactions, and boundary conditions. TRAM can easily be linked to catchment models off-line and it requires the use of external hydrodynamic simulation software. Parametrization of the model and visualization of simulation results are facilitated by the use of geographical information systems as well as specific pre- and post-processors. TRAM has been developed within the research project 'Management Options for the Havel River Basin' funded by the German Ministry of Education and Research. The project focused on the analysis of different options for reducing the nutrient load of surface waters. It was intended to support the implementation of the WFD in the lowland catchment of the Havel River located in North-East Germany. Within the above-mentioned study TRAM was applied with two goals in mind. In a first step, the model was used for identifying the magnitude as well as spatial and temporal patterns of nitrogen retention and sediment phosphorus release in a 100~km stretch of the highly eutrophic Lower Havel River. From the system analysis, strongly simplified conceptual approaches for modeling N-retention and P-remobilization in the studied river-lake system were obtained. In a second step, the impact of reduced external nutrient loading on the nitrogen and phosphorus concentrations of the Havel River was simulated (scenario analysis) taking into account internal retention/release. The boundary conditions for the scenario analysis such as runoff and nutrient emissions from river basins were computed by project partners using the catchment models SWIM and ArcEGMO-Urban. Based on the output of TRAM, the considered options of emission control could finally be evaluated using a site-specific assessment scale which is compatible with the requirements of the WFD. Uncertainties in the model predictions were also examined. According to simulation results, the target of the WFD -- with respect to total phosphorus concentrations in the Lower Havel River -- could be achieved in the medium-term, if the full potential for reducing point and non-point emissions was tapped. Furthermore, model results suggest that internal phosphorus loading will ease off noticeably until 2015 due to a declining pool of sedimentary mobile phosphate. Mass balance calculations revealed that the lakes of the Lower Havel River are an important nitrogen sink. This natural retention effect contributes significantly to the efforts aimed at reducing the river's nitrogen load. If a sustainable improvement of the river system's water quality is to be achieved, enhanced measures to further reduce the immissions of both phosphorus and nitrogen are required. N2 - Die vorliegende Arbeit dokumentiert Konzept und Anwendung eines Modells zur Simulation von Stofftransport und -umsatz in Flüssen und Flachseen. Das Simulationswerkzeug TRAM wurde als Ergänzung zu mesoskaligen Wasser- und Stoffhaushaltsmodellen konzipiert, um die Beschaffenheit einzelner Wasserkörper auf dieser räumlichen Skala in adequater Weise abbilden zu können. Dieser Aufgabenstellung kommt im Zuge der Umsetzung der EU-Wasserrahmenrichtlinie (WRRL) besondere Bedeutung zu. Das entwickelte Simulationsmodell TRAM setzt sich aus einem Transport- und einem Reaktionsmodell zusammen. Letzteres zeichnet sich durch eine hohe Flexibilität hinsichtlich der Beschreibung gewässerinterner Stoffumsatzprozesse aus. Es können mit geringem Aufwand unterschiedlich komplexe Ansätze der Prozessbeschreibung getestet und die - je nach Problemstellung, Systemverständnis und Datenverfügbarkeit - angemessene Modellformulierung gewählt werden. TRAM eignet sich somit gleichermaßen für stark vereinfachende Ingenieur-Anwendungen wie für wissenschaftliche Analysen, die komplexe aquatische Ökosystemmodelle mit einer Vielzahl an Zustandsvariablen, Interaktionen und Randbedingungen erfordern. Weitere Charakteristika von TRAM sind die Koppelbarkeit mit öko-hydrologischen Einzugsgebietsmodellen sowie einem hydrodynamischen Modell, die Unterstützung von Modellparametrisierung und Visualisierungen durch Geografische Informationssysteme (GIS) und ein klar strukturiertes Daten-Management. TRAM wurde im Rahmen des BMBF-geförderten Forschungsprojekts 'Bewirtschaftungsmöglichkeiten im Einzugsgebiet der Havel' entwickelt. Gegenstand dieses Projektes war die Analyse von Handlungsoptionen zur Verminderung von Nährstoffeinträgen in die Oberflächengewässer des Havel-Einzugsgebiets als Beitrag zur Erreichung der Ziele der WRRL. Mit dem Einsatz von TRAM wurden zwei Zielstellungen verfolgt: In einem ersten Schritt wurden Bedeutung und Muster der gewässerinternen Stickstoff-Retention sowie der Phosphor-Freisetzung aus See-Sedimenten quantifiziert (Systemanalyse). Auf dieser Basis konnten vereinfachte, konzeptionelle Ansätze zur Beschreibung von N-Retention und P-Remobilisierung abgeleitet werden. In einem zweiten Schritt wurden, unter Nutzung dieser Ansätze, die Auswirkungen verringerter externer Nährstoffeinträge auf gewässerinterne N- und P-Konzentrationen simuliert (Szenario-Analysen) und die Unsicherheiten der Modellrechnungen untersucht. Als Randbedingungen für die Szenario-Analysen dienten Simulationsergebnisse der öko-hydrologischen Einzugsgebietsmodelle SWIM und ArcEGMO, welche durch Projektpartner zur Verfügung gestellt wurden. Die mittels TRAM berechneten Nährstoffkonzentrationen bildeten schließlich die Grundlage für eine Evaluierung der Handlungsoptionen anhand einer gewässertypspezifischen, WRRL-konformen Bewertungsskala. Die Simulationsergebnisse zeigen, dass die Zielvorgabe der WRRL bezüglich Gesamt-Phosphor im Falle der Unteren Havel mittelfristig erreicht werden kann, wenn das Potential zur Senkung der Einträge aus punktförmigen und diffusen Quellen voll ausgeschöpft wird. Weiterhin kann im Zeitraum bis 2015 bereits mit einem merklichen Nachlassen der internen Phosphat-Freisetzung aufgrund einer Aushagerung der Sedimente gerechnet werden. Mit Hilfe von Massenbilanzierungen ließ sich zeigen, dass die Havelseen eine bedeutende Stickstoff-Senke darstellen. Dieser natürliche Retentionseffekt unterstützt wesentlich die Bemühungen zur Verminderung der Stickstoff-Belastung. Im Sinne einer nachhaltigen Verbesserung der Wassergüte der Unteren Havel erscheinen verstärkte Anstrengungen zur weiteren Reduzierung sowohl der Phosphor- als auch der Stickstoff-Emissionen geboten. KW - Wassergüte KW - Modellierung KW - Nährstoffe KW - Fluss-Seen KW - Management KW - water quality KW - modeling KW - nutrients KW - river-lake systems KW - management Y1 - 2007 U6 - http://nbn-resolving.de/urn/resolver.pl?urn:nbn:de:kobv:517-opus-14647 ER - TY - THES A1 - Malem-Shinitski, Noa T1 - Bayesian inference and modeling for point processes with applications from neuronal activity to scene viewing T1 - Bayessche Inferenz und Modellierung für Punktprozesse mit Anwendungen von neuronaler Aktivität bis Szenenbetrachtung N2 - Point processes are a common methodology to model sets of events. From earthquakes to social media posts, from the arrival times of neuronal spikes to the timing of crimes, from stock prices to disease spreading -- these phenomena can be reduced to the occurrences of events concentrated in points. Often, these events happen one after the other defining a time--series. Models of point processes can be used to deepen our understanding of such events and for classification and prediction. Such models include an underlying random process that generates the events. This work uses Bayesian methodology to infer the underlying generative process from observed data. Our contribution is twofold -- we develop new models and new inference methods for these processes. We propose a model that extends the family of point processes where the occurrence of an event depends on the previous events. This family is known as Hawkes processes. Whereas in most existing models of such processes, past events are assumed to have only an excitatory effect on future events, we focus on the newly developed nonlinear Hawkes process, where past events could have excitatory and inhibitory effects. After defining the model, we present its inference method and apply it to data from different fields, among others, to neuronal activity. The second model described in the thesis concerns a specific instance of point processes --- the decision process underlying human gaze control. This process results in a series of fixated locations in an image. We developed a new model to describe this process, motivated by the known Exploration--Exploitation dilemma. Alongside the model, we present a Bayesian inference algorithm to infer the model parameters. Remaining in the realm of human scene viewing, we identify the lack of best practices for Bayesian inference in this field. We survey four popular algorithms and compare their performances for parameter inference in two scan path models. The novel models and inference algorithms presented in this dissertation enrich the understanding of point process data and allow us to uncover meaningful insights. N2 - Punktprozesse sind eine gängige Methode zur Modellierung von Ereignismengen. Von Erdbeben bis zu Social-Media-Posts, von den neuronalen Spikes bis zum Zeitpunkt von Verbrechen, von Aktienkursen bis zur Ausbreitung von Krankheiten - diese Phänomene lassen sich auf das Auftreten von Ereignissen reduzieren, die in Punkten konzentriert sind. Häufig treten diese Ereignisse nacheinander auf und bilden eine Zeitreihe. Modelle von Punktprozessen können verwendet werden, um unser Verständnis solcher Ereignisse für Klassifizierung und Vorhersage zu vertiefen. Solche Modelle umfassen einen zugrunde liegenden Zufallsprozess, der die Ereignisse erzeugt. In dieser Arbeit wird die Bayes'sche Methodik verwendet, um den zugrunde liegenden generativen Prozess aus den beobachteten Daten abzuleiten. Wir leisten einen doppelten Beitrag: Wir entwickeln neue Modelle und neue Inferenzmethoden für diese Prozesse. Wir schlagen ein Modell vor, das die Familie der Punktprozesse erweitert, bei denen das Auftreten eines Ereignisses von den vorherigen Ereignissen abhängt. Diese Familie ist als Hawkes-Prozesse bekannt. Während in den meisten bestehenden Modellen solcher Prozesse davon ausgegangen wird, dass vergangene Ereignisse nur eine exzitatorische Wirkung auf zukünftige Ereignisse haben, konzentrieren wir uns auf den neu entwickelten nichtlinearen Hawkes-Prozess, bei dem vergangene Ereignisse exzitatorische und hemmende Wirkungen haben können. Nach der Definition des Modells stellen wir seine Inferenzmethode vor und wenden sie auf Daten aus verschiedenen Bereichen an, unter anderem auf die neuronale Aktivität. Das zweite Modell, das in dieser Arbeit beschrieben wird, betrifft einen speziellen Fall von Punktprozessen - den Entscheidungsprozess, der der menschlichen Blicksteuerung zugrunde liegt. Dieser Prozess führt zu einer Reihe von fixierten Positionen in einem Bild. Wir haben ein neues Modell entwickelt, um diesen Prozess zu beschreiben, motiviert durch das bekannte Exploration-Exploitation-Dilemma. Neben dem Modell stellen wir einen Bayes'schen Inferenzalgorithmus vor, um die Modellparameter abzuleiten. Wir bleiben auf dem Gebiet der menschlichen Szenenbetrachtung und stellen fest, dass es in diesem Bereich keine bewährten Verfahren für die Bayes'sche Inferenz gibt. Wir geben einen Überblick über vier gängige Algorithmen und vergleichen ihre Leistungen bei der Ableitung von Parametern für zwei Scanpfadmodelle. Die in dieser Dissertation vorgestellten neuen Modelle und Inferenzalgorithmen bereichern das Verständnis von Punktprozessdaten und ermöglichen es uns, sinnvolle Erkenntnisse zu gewinnen. KW - Bayesian inference KW - point process KW - statistical machine learning KW - sampling KW - modeling KW - Bayessche Inferenz KW - Modellierung KW - Punktprozess KW - Stichprobenentnahme aus einem statistischen Modell KW - statistisches maschinelles Lernen Y1 - 2023 U6 - http://nbn-resolving.de/urn/resolver.pl?urn:nbn:de:kobv:517-opus4-614952 ER - TY - JOUR A1 - Ali, Mostafa A1 - Homann, Thomas A1 - Kreisel, Janka A1 - Khalil, Mahmoud A1 - Puhlmann, Ralf A1 - Kruse, Hans-Peter A1 - Rawel, Harshadrai Manilal T1 - Characterization and modeling of the interactions between coffee storage proteins and phenolic compounds JF - Journal of agricultural and food chemistry : a publication of the American Chemical Society N2 - This study addresses the interactions of coffee storage proteins with coffee-specific phenolic compounds. Protein profiles, of Coffea arabica and Coffea canephora (var robusta) were compared. Major Phenolic compounds were extracted and analyzed with appropriate methods. The polyphenol-protein interactions during protein extraction have been addressed by different analytical setups [reversed-phase high-performance liquid chromatography (RP-HPLC), sodium dodecyl sulfate-polyacrylamide gel electrophoresis (SDS-PAGE), matrix-assisted laser desorption ionization-time of flight-mass spectrometry (MALDI-TOF-MS), and Trolox equivalent antioxidant capacity (TEAC) assays], with focus directed toward identification of covalent adduct formation. The results indicate that C. arabica proteins are more susceptible to these interactions and the polyphenol oxidase activity seems to be a crucial factor for the formation of these addition products. A tentative allocation of the modification type and site in the protein has been attempted. Thus, the first available in silico modeling of modified coffee proteins is reported. The extent of these modifications may contribute to the structure and function of "coffee melanoidins" and are discussed in the context of coffee flavor formation. KW - Coffee beans KW - storage proteins KW - phenolic compounds KW - antioxidants KW - protein-phenol interactions KW - modeling Y1 - 2012 U6 - https://doi.org/10.1021/jf303372a SN - 0021-8561 VL - 60 IS - 46 SP - 11601 EP - 11608 PB - American Chemical Society CY - Washington ER - TY - GEN A1 - Ayzel, Georgy A1 - Izhitskiy, Alexander T1 - Climate change impact assessment on freshwater inflow into the Small Aral Sea T2 - Postprints der Universität Potsdam : Mathematisch-Naturwissenschaftliche Reihe N2 - During the last few decades, the rapid separation of the Small Aral Sea from the isolated basin has changed its hydrological and ecological conditions tremendously. In the present study, we developed and validated the hybrid model for the Syr Darya River basin based on a combination of state-of-the-art hydrological and machine learning models. Climate change impact on freshwater inflow into the Small Aral Sea for the projection period 2007–2099 has been quantified based on the developed hybrid model and bias corrected and downscaled meteorological projections simulated by four General Circulation Models (GCM) for each of three Representative Concentration Pathway scenarios (RCP). The developed hybrid model reliably simulates freshwater inflow for the historical period with a Nash–Sutcliffe efficiency of 0.72 and a Kling–Gupta efficiency of 0.77. Results of the climate change impact assessment showed that the freshwater inflow projections produced by different GCMs are misleading by providing contradictory results for the projection period. However, we identified that the relative runoff changes are expected to be more pronounced in the case of more aggressive RCP scenarios. The simulated projections of freshwater inflow provide a basis for further assessment of climate change impacts on hydrological and ecological conditions of the Small Aral Sea in the 21st Century. T3 - Zweitveröffentlichungen der Universität Potsdam : Mathematisch-Naturwissenschaftliche Reihe - 1071 KW - Small Aral Sea KW - hydrology KW - climate change KW - modeling KW - machine learning Y1 - 2021 U6 - http://nbn-resolving.de/urn/resolver.pl?urn:nbn:de:kobv:517-opus4-472794 SN - 1866-8372 IS - 1071 ER - TY - JOUR A1 - Ayzel, Georgy A1 - Izhitskiy, Alexander T1 - Climate Change Impact Assessment on Freshwater Inflow into the Small Aral Sea JF - Water N2 - During the last few decades, the rapid separation of the Small Aral Sea from the isolated basin has changed its hydrological and ecological conditions tremendously. In the present study, we developed and validated the hybrid model for the Syr Darya River basin based on a combination of state-of-the-art hydrological and machine learning models. Climate change impact on freshwater inflow into the Small Aral Sea for the projection period 2007-2099 has been quantified based on the developed hybrid model and bias corrected and downscaled meteorological projections simulated by four General Circulation Models (GCM) for each of three Representative Concentration Pathway scenarios (RCP). The developed hybrid model reliably simulates freshwater inflow for the historical period with a Nash-Sutcliffe efficiency of 0.72 and a Kling-Gupta efficiency of 0.77. Results of the climate change impact assessment showed that the freshwater inflow projections produced by different GCMs are misleading by providing contradictory results for the projection period. However, we identified that the relative runoff changes are expected to be more pronounced in the case of more aggressive RCP scenarios. The simulated projections of freshwater inflow provide a basis for further assessment of climate change impacts on hydrological and ecological conditions of the Small Aral Sea in the 21st Century. KW - Small Aral Sea KW - hydrology KW - climate change KW - modeling KW - machine learning Y1 - 2019 U6 - https://doi.org/10.3390/w11112377 SN - 2073-4441 VL - 11 IS - 11 PB - MDPI CY - Basel ER - TY - JOUR A1 - Abramova, Olga A1 - Batzel, Katharina A1 - Modesti, Daniela T1 - Collective response to the health crisis among German Twitter users BT - a structural topic modeling approach JF - International Journal of Information Management Data Insights N2 - We used structural topic modeling to analyze over 800,000 German tweets about COVID-19 to answer the questions: What patterns emerge in tweets as a response to a health crisis? And how do topics discussed change over time? The study leans on the goals associated with the health information seeking (GAINS) model, discerning whether a post aims at tackling and eliminating the problem (i.e., problem-focused) or managing the emotions (i.e., emotion-focused); whether it strives to maximize positive outcomes (promotion focus) or to minimize negative outcomes (prevention focus). The findings indicate four clusters salient in public reactions: 1) “Understanding” (problem-promotion); 2) “Action planning” (problem-prevention); 3) “Hope” (emotion-promotion) and 4) “Reassurance” (emotion-prevention). Public communication is volatile over time, and a shift is evidenced from self-centered to community-centered topics within 4.5 weeks. Our study illustrates social media text mining's potential to quickly and efficiently extract public opinions and reactions. Monitoring fears and trending topics enable policymakers to rapidly respond to deviant behavior, like resistive attitudes toward containment measures or deteriorating physical health. Healthcare workers can use the insights to provide mental health services for battling anxiety or extensive loneliness from staying home. KW - social media KW - Twitter KW - modeling KW - regulatory focus theory KW - crisis management KW - text mining Y1 - 2022 U6 - https://doi.org/10.1016/j.jjimei.2022.100126 SN - 2667-0968 VL - 2 IS - 2 PB - Elsevier CY - Amsterdam ER - TY - BOOK A1 - Becker, Basil A1 - Giese, Holger T1 - Cyber-physical systems with dynamic structure : towards modeling and verification of inductive invariants N2 - Cyber-physical systems achieve sophisticated system behavior exploring the tight interconnection of physical coupling present in classical engineering systems and information technology based coupling. A particular challenging case are systems where these cyber-physical systems are formed ad hoc according to the specific local topology, the available networking capabilities, and the goals and constraints of the subsystems captured by the information processing part. In this paper we present a formalism that permits to model the sketched class of cyber-physical systems. The ad hoc formation of tightly coupled subsystems of arbitrary size are specified using a UML-based graph transformation system approach. Differential equations are employed to define the resulting tightly coupled behavior. Together, both form hybrid graph transformation systems where the graph transformation rules define the discrete steps where the topology or modes may change, while the differential equations capture the continuous behavior in between such discrete changes. In addition, we demonstrate that automated analysis techniques known for timed graph transformation systems for inductive invariants can be extended to also cover the hybrid case for an expressive case of hybrid models where the formed tightly coupled subsystems are restricted to smaller local networks. N2 - Cyber-physical Systeme erzielen ihr ausgefeiltes Systemverhalten durch die enge Verschränkung von physikalischer Kopplung, wie sie in Systemen der klassichen Igenieurs-Disziplinen vorkommt, und der Kopplung durch Informationstechnologie. Eine besondere Herausforderung stellen in diesem Zusammenhang Systeme dar, die durch die spontane Vernetzung einzelner Cyber-Physical-Systeme entsprechend der lokalen, topologischen Gegebenheiten, verfügbarer Netzwerkfähigkeiten und der Anforderungen und Beschränkungen der Teilsysteme, die durch den informationsverabeitenden Teil vorgegeben sind, entstehen. In diesem Bericht stellen wir einen Formalismus vor, der die Modellierung der eingangs skizzierten Systeme erlaubt. Ein auf UML aufbauender Graph-Transformations-Ansatz wird genutzt, um die spontane Bildung eng kooperierender Teilsysteme beliebiger Größe zu spezifizieren. Differentialgleichungen beschreiben das kombinierte Verhalten auf physikalischer Ebene. In Kombination ergeben diese beiden Formalismen hybride Graph-Transformations-Systeme, in denen die Graph-Transformationen diskrete Schritte und die Differentialgleichungen das kontinuierliche, physikalische Verhalten des Systems beschreiben. Zusätzlich, präsentieren wir die Erweiterung einer automatischen Analysetechnik zur Verifikation induktiver Invarianten, die bereits für zeitbehaftete Systeme bekannt ist, auf den ausdrucksstärkeren Fall der hybriden Modelle. T3 - Technische Berichte des Hasso-Plattner-Instituts für Digital Engineering an der Universität Potsdam - 64 KW - Cyber-Physical-Systeme KW - Verifikation KW - Modellierung KW - hybride Graph-Transformations-Systeme KW - Cyber-physical-systems KW - verification KW - modeling KW - hybrid graph-transformation-systems Y1 - 2012 U6 - http://nbn-resolving.de/urn/resolver.pl?urn:nbn:de:kobv:517-opus-62437 SN - 978-3-86956-217-9 PB - Universitätsverlag Potsdam CY - Potsdam ER - TY - JOUR A1 - Ayzel, Georgy T1 - Deep neural networks in hydrology BT - the new generation of universal and efficient models BT - новое поколение универсальных и эффективных моделей JF - Vestnik of Saint Petersburg University. Earth Sciences N2 - For around a decade, deep learning - the sub-field of machine learning that refers to artificial neural networks comprised of many computational layers - modifies the landscape of statistical model development in many research areas, such as image classification, machine translation, and speech recognition. Geoscientific disciplines in general and the field of hydrology in particular, also do not stand aside from this movement. Recently, the proliferation of modern deep learning-based techniques and methods has been actively gaining popularity for solving a wide range of hydrological problems: modeling and forecasting of river runoff, hydrological model parameters regionalization, assessment of available water resources. identification of the main drivers of the recent change in water balance components. This growing popularity of deep neural networks is primarily due to their high universality and efficiency. The presented qualities, together with the rapidly growing amount of accumulated environmental information, as well as increasing availability of computing facilities and resources, allow us to speak about deep neural networks as a new generation of mathematical models designed to, if not to replace existing solutions, but significantly enrich the field of geophysical processes modeling. This paper provides a brief overview of the current state of the field of development and application of deep neural networks in hydrology. Also in the following study, the qualitative long-term forecast regarding the development of deep learning technology for managing the corresponding hydrological modeling challenges is provided based on the use of "Gartner Hype Curve", which in the general details describes a life cycle of modern technologies. N2 - В течение последнего десятилетия глубокое обучение - область машинного обучения, относящаяся к искусственным нейронным сетям, состоящим из множества вычислительных слоев, - изменяет ландшафт развития статистических моделей во многих областях исследований, таких как классификация изображений, машинный перевод, распознавание речи. Географические науки, а также входящая в их состав область исследования гидрологии суши, не стоят в стороне от этого движения. В последнее время применение современных технологий и методов глубокого обучения активно набирает популярность для решения широкого спектра гидрологических задач: моделирования и прогнозирования речного стока, районирования модельных параметров, оценки располагаемых водных ресурсов, идентификации факторов, влияющих на современные изменения водного режима. Такой рост популярности глубоких нейронных сетей продиктован прежде всего их высокой универсальностью и эффективностью. Представленные качества в совокупности с быстрорастущим количеством накопленной информации о состоянии окружающей среды, а также ростом доступности вычислительных средств и ресурсов, позволяют говорить о глубоких нейронных сетях как о новом поколении математических моделей, призванных если не заменить существующие решения, то значительно обогатить область моделирования геофизических процессов. В данной работе представлен краткий обзор текущего состояния области разработки и применения глубоких нейронных сетей в гидрологии. Также в работе предложен качественный долгосрочный прогноз развития технологии глубокого обучения для решения задач гидрологического моделирования на основе использования «кривой ажиотажа Гартнера», в общих чертах описывающей жизненный цикл современных технологий. T2 - Глубокие нейронные сети в гидрологии KW - deep neural networks KW - deep learning KW - machine learning KW - hydrology KW - modeling KW - глубокие нейронные сети KW - глубокое обучение KW - машинное обучение KW - гидрология KW - моделирование Y1 - 2021 U6 - https://doi.org/10.21638/spbu07.2021.101 SN - 2541-9668 SN - 2587-585X VL - 66 IS - 1 SP - 5 EP - 18 PB - Univ. Press CY - St. Petersburg ER - TY - THES A1 - Hübner, Andrea T1 - Ein multityper Verzweigungsprozess als Modell zur Untersuchung der Ausbreitung von Covid-19 T1 - Modeling the spread of Covid-19 using a multitype branching process N2 - Im Zuge der Covid-19 Pandemie werden zwei Werte täglich diskutiert: Die zuletzt gemeldete Zahl der neu Infizierten und die sogenannte Reproduktionsrate. Sie gibt wieder, wie viele weitere Menschen ein an Corona erkranktes Individuum im Durchschnitt ansteckt. Für die Schätzung dieses Wertes gibt es viele Möglichkeiten - auch das Robert Koch-Institut gibt in seinem täglichen Situationsbericht stets zwei R-Werte an: Einen 4-Tage-R-Wert und einen weniger schwankenden 7-Tage-R-Wert. Diese Arbeit soll eine weitere Möglichkeit vorstellen, einige Aspekte der Pandemie zu modellieren und die Reproduktionsrate zu schätzen. In der ersten Hälfte der Arbeit werden die mathematischen Grundlagen vorgestellt, die man für die Modellierung benötigt. Hierbei wird davon ausgegangen, dass der Leser bereits ein Basisverständnis von stochastischen Prozessen hat. Im Abschnitt Grundlagen werden Verzweigungsprozesse mit einigen Beispielen eingeführt und die Ergebnisse aus diesem Themengebiet, die für diese Arbeit wichtig sind, präsentiert. Dabei gehen wir zuerst auf einfache Verzweigungsprozesse ein und erweitern diese dann auf Verzweigungsprozesse mit mehreren Typen. Um die Notation zu erleichtern, beschränken wir uns auf zwei Typen. Das Prinzip lässt sich aber auf eine beliebige Anzahl von Typen erweitern. Vor allem soll die Wichtigkeit des Parameters λ herausgestellt werden. Dieser Wert kann als durchschnittliche Zahl von Nachfahren eines Individuums interpretiert werden und bestimmt die Dynamik des Prozesses über einen längeren Zeitraum. In der Anwendung auf die Pandemie hat der Parameter λ die gleiche Rolle wie die Reproduktionsrate R. In der zweiten Hälfte dieser Arbeit stellen wir eine Anwendung der Theorie über Multitype Verzweigungsprozesse vor. Professor Yanev und seine Mitarbeiter modellieren in ihrer Veröffentlichung Branching stochastic processes as models of Covid-19 epidemic development die Ausbreitung des Corona Virus' über einen Verzweigungsprozess mit zwei Typen. Wir werden dieses Modell diskutieren und Schätzer daraus ableiten: Ziel ist es, die Reproduktionsrate zu ermitteln. Außerdem analysieren wir die Möglichkeiten, die Dunkelziffer (die Zahl nicht gemeldeter Krankheitsfälle) zu schätzen. Wir wenden die Schätzer auf die Zahlen von Deutschland an und werten diese schließlich aus. N2 - During the Covid-19 pandemic, the discussion about the situation has been dominated by two numbers: the number of daily new infected individuals and the reproduction rate. The latter is the average number of people, one infected individual will infect with the disease. Because the number of registered infected individuals is generally not equal to the actual number of people who carry the Corona virus, many facts about the pandemic have to be estimated and can not be known for certain. Since the reproduction rate is an important parameter to signify the course of the Pandemic, many ways to estimate it have been developed. The Institute of Robert Koch in Germany uses two reproduction rates R in their daily reports: The 4-days-R-value and the less fluctuating 7-days-Rvalue. This master thesis will develop another model to estimate the R-value and other interesting aspects of the pandemic. The first part of this thesis is dedicated to the mathematical foundations needed to understand the model. The reader is expected to already have basic understanding of stochastic processes. In the section Grundlagen we will discuss branching processes and present the results of their theory that are important for our work. We start by introducing simple branching processes and expand the results to multitype branching processes. In service of a simpler notation we will only consider twotype branching processes, but the results can be used for any number of types. The importance of the parameter λ shall be stressed. It can be seen as the average number of descendants of one individual and dictates the dynamic of the process over a long period of time. Applied to the modeling of the pandemic, λ plays the same role as the reproduction rate R. In the second part of this thesis will present an application of the previously developed theory about multitype branching processes. Prof. Yanev and his colleagues modeled in their publication Branching stochastic processes as models of Covid-19 epidemic development the spreading of the Corona virus by using a branching process with two types. We will discuss this model and deduce estimators from it. We want to estimate the reproduction rate and find a way to determine the number of not registered infected individuals. The estimators will be applied to the data from Germany and we will discuss the results. KW - Covid-19 KW - Corona KW - Reproduktionsrate KW - Verzweigungsprozess KW - Modellierung KW - Covid-19 KW - corona virus KW - reproduction rate KW - branching process KW - modeling Y1 - 2021 U6 - http://nbn-resolving.de/urn/resolver.pl?urn:nbn:de:kobv:517-opus4-509225 ER - TY - CHAP A1 - Haase, Jennifer A1 - Thim, Christof A1 - Bender, Benedict ED - Marrella, Andrea ED - Weber, Barbara T1 - Expanding modeling notations BT - requirements for creative process modeling T2 - Business process management workshops N2 - Creativity is a common aspect of business processes and thus needs a proper representation through process modeling notations. However, creative processes constitute highly flexible process elements, as new and unforeseeable outcome is developed. This presents a challenge for modeling languages. Current methods representing creative-intensive work are rather less able to capture creative specifics which are relevant to successfully run and manage these processes. We outline the concept of creative-intensive processes and present an example from a game design process in order to derive critical process aspects relevant for its modeling. Six aspects are detected, with first and foremost: process flexibility, as well as temporal uncertainty, experience, types of creative problems, phases of the creative process and individual criteria. By first analyzing what aspects of creative work modeling notations already cover, we further discuss which modeling extensions need to be developed to better represent creativity within business processes. We argue that a proper representation of creative work would not just improve the management of those processes, but can further enable process actors to more efficiently run these creative processes and adjust them to better fit to the creative needs. KW - modeling KW - requirements KW - pockets of creativity KW - creative process Y1 - 2022 SN - 978-3-030-94342-4 SN - 978-3-030-94344-8 SN - 978-3-030-94343-1 U6 - https://doi.org/10.1007/978-3-030-94343-1_15 VL - 436 SP - 197 EP - 208 PB - Springer CY - Cham ER - TY - JOUR A1 - Simik, Radek A1 - Wierzba, Marta T1 - EXPRESSION OF INFORMATION STRUCTURE IN WEST SLAVIC: MODELING THE IMPACT OF PROSODIC AND WORD-ORDER FACTORS JF - Language : journal of the Linguistic Society of America N2 - The received wisdom is that word-order alternations in Slavic languages arise as a direct consequence of word-order-related information-structure constraints such as ‘Place given expressions before new ones’. In this article, we compare the word-order hypothesis with a competing one, according to which word-order alternations arise as a consequence of a prosodic constraint: ‘Avoid stress on given expressions’. Based on novel experimental and modeling data, we conclude that the prosodic hypothesis is more adequate than the word-order hypothesis. Yet we also show that combining the strengths of both hypotheses provides the best fit for the data. Methodologically, our article is based on gradient acceptability judgments and multiple regression, which allows us to evaluate whether violations of generalizations like ‘Given precedes new’ or ‘Given lacks stress’ lead to a consistent decrease in acceptability and to quantify the size of their respective effects. Focusing on the empirical adequacy of such generalizations rather than on specific theoretical implementations also makes it possible to bridge the gap between different linguistic traditions and to directly compare predictions emerging from formal and functional approaches. KW - information structure KW - givenness KW - word order KW - prosody KW - acceptability-judgment experiments KW - modeling KW - multiple regression KW - Slavic Y1 - 2017 U6 - https://doi.org/10.1353/lan.2017.0040 SN - 0097-8507 SN - 1535-0665 VL - 93 SP - 671 EP - 709 PB - Linguistic Society of America CY - Washington ER - TY - GEN A1 - Horn, Juliane A1 - Becher, Matthias A. A1 - Johst, Karin A1 - Kennedy, Peter J. A1 - Osborne, Juliet L. A1 - Radchuk, Viktoriia A1 - Grimm, Volker T1 - Honey bee colony performance affected by crop diversity and farmland structure BT - a modeling framework T2 - Zweitveröffentlichungen der Universität Potsdam : Mathematisch-Naturwissenschaftliche Reihe N2 - Forage availability has been suggested as one driver of the observed decline in honey bees. However, little is known about the effects of its spatiotemporal variation on colony success. We present a modeling framework for assessing honey bee colony viability in cropping systems. Based on two real farmland structures, we developed a landscape generator to design cropping systems varying in crop species identity, diversity, and relative abundance. The landscape scenarios generated were evaluated using the existing honey bee colony model BEEHAVE, which links foraging to in-hive dynamics. We thereby explored how different cropping systems determine spatiotemporal forage availability and, in turn, honey bee colony viability (e.g., time to extinction, TTE) and resilience (indicated by, e.g., brood mortality). To assess overall colony viability, we developed metrics,P(H)andP(P,)which quantified how much nectar and pollen provided by a cropping system per year was converted into a colony's adult worker population. Both crop species identity and diversity determined the temporal continuity in nectar and pollen supply and thus colony viability. Overall farmland structure and relative crop abundance were less important, but details mattered. For monocultures and for four-crop species systems composed of cereals, oilseed rape, maize, and sunflower,P(H)andP(P)were below the viability threshold. Such cropping systems showed frequent, badly timed, and prolonged forage gaps leading to detrimental cascading effects on life stages and in-hive work force, which critically reduced colony resilience. Four-crop systems composed of rye-grass-dandelion pasture, trefoil-grass pasture, sunflower, and phacelia ensured continuous nectar and pollen supply resulting in TTE > 5 yr, andP(H)(269.5 kg) andP(P)(108 kg) being above viability thresholds for 5 yr. Overall, trefoil-grass pasture, oilseed rape, buckwheat, and phacelia improved the temporal continuity in forage supply and colony's viability. Our results are hypothetical as they are obtained from simplified landscape settings, but they nevertheless match empirical observations, in particular the viability threshold. Our framework can be used to assess the effects of cropping systems on honey bee viability and to develop land-use strategies that help maintain pollination services by avoiding prolonged and badly timed forage gaps. T3 - Zweitveröffentlichungen der Universität Potsdam : Mathematisch-Naturwissenschaftliche Reihe - 1351 KW - apis mellifera KW - BEEHAVE KW - colony viability KW - crop diversity KW - cropping system KW - decline KW - forage availability KW - forage gaps KW - honey bees KW - landscape generator KW - modeling Y1 - 2020 U6 - http://nbn-resolving.de/urn/resolver.pl?urn:nbn:de:kobv:517-opus4-556943 SN - 1866-8372 IS - 1 ER - TY - JOUR A1 - Horn, Juliane A1 - Becher, Matthias A. A1 - Johst, Karin A1 - Kennedy, Peter J. A1 - Osborne, Juliet L. A1 - Radchuk, Viktoriia A1 - Grimm, Volker T1 - Honey bee colony performance affected by crop diversity and farmland structure BT - a modeling framework JF - Ecological applications N2 - Forage availability has been suggested as one driver of the observed decline in honey bees. However, little is known about the effects of its spatiotemporal variation on colony success. We present a modeling framework for assessing honey bee colony viability in cropping systems. Based on two real farmland structures, we developed a landscape generator to design cropping systems varying in crop species identity, diversity, and relative abundance. The landscape scenarios generated were evaluated using the existing honey bee colony model BEEHAVE, which links foraging to in-hive dynamics. We thereby explored how different cropping systems determine spatiotemporal forage availability and, in turn, honey bee colony viability (e.g., time to extinction, TTE) and resilience (indicated by, e.g., brood mortality). To assess overall colony viability, we developed metrics,P(H)andP(P,)which quantified how much nectar and pollen provided by a cropping system per year was converted into a colony's adult worker population. Both crop species identity and diversity determined the temporal continuity in nectar and pollen supply and thus colony viability. Overall farmland structure and relative crop abundance were less important, but details mattered. For monocultures and for four-crop species systems composed of cereals, oilseed rape, maize, and sunflower,P(H)andP(P)were below the viability threshold. Such cropping systems showed frequent, badly timed, and prolonged forage gaps leading to detrimental cascading effects on life stages and in-hive work force, which critically reduced colony resilience. Four-crop systems composed of rye-grass-dandelion pasture, trefoil-grass pasture, sunflower, and phacelia ensured continuous nectar and pollen supply resulting in TTE > 5 yr, andP(H)(269.5 kg) andP(P)(108 kg) being above viability thresholds for 5 yr. Overall, trefoil-grass pasture, oilseed rape, buckwheat, and phacelia improved the temporal continuity in forage supply and colony's viability. Our results are hypothetical as they are obtained from simplified landscape settings, but they nevertheless match empirical observations, in particular the viability threshold. Our framework can be used to assess the effects of cropping systems on honey bee viability and to develop land-use strategies that help maintain pollination services by avoiding prolonged and badly timed forage gaps. KW - apis mellifera KW - BEEHAVE KW - colony viability KW - crop diversity KW - cropping system KW - decline KW - forage availability KW - forage gaps KW - honey bees KW - landscape generator KW - modeling Y1 - 2020 U6 - https://doi.org/10.1002/eap.2216 SN - 1939-5582 SN - 1051-0761 VL - 31 IS - 1 SP - 1 EP - 22 PB - Wiley Periodicals LLC CY - Washington DC ER - TY - JOUR A1 - Omarova, Zhansaya A1 - Yerezhep, Darkhan A1 - Aldiyarov, Abdurakhman A1 - Tokmoldin, Nurlan T1 - In Silico Investigation of the Impact of Hole-Transport Layers on the Performance of CH3NH3SnI3 Perovskite Photovoltaic Cells JF - Crystals N2 - Perovskite solar cells represent one of the recent success stories in photovoltaics. The device efficiency has been steadily increasing over the past years, but further work is needed to enhance the performance, for example, through the reduction of defects to prevent carrier recombination. SCAPS-1D simulations were performed to assess efficiency limits and identify approaches to decrease the impact of defects, through the selection of an optimal hole-transport material and a hole-collecting electrode. Particular attention was given to evaluation of the influence of bulk defects within light-absorbing CH3NH3SnI3 layers. In addition, the study demonstrates the influence of interface defects at the TiO2/CH3NH3SnI3 (IL1) and CH3NH3SnI3/HTL (IL2) interfaces across the similar range of defect densities. Finally, the optimal device architecture TiO2/CH3NH3SnI3/Cu2O is proposed for the given absorber layer using the readily available Cu2O hole-transporting material with PCE = 27.95%, FF = 84.05%, V-OC = 1.02 V and J(SC) = 32.60 mA/cm(2), providing optimal performance and enhanced resistance to defects. KW - perovskite solar cells KW - CH3NH3SnI3 KW - SCAPS-1D KW - modeling KW - HTL Y1 - 2022 U6 - https://doi.org/10.3390/cryst12050699 SN - 2073-4352 VL - 12 IS - 5 PB - MDPI CY - Basel ER - TY - JOUR A1 - Heckenbach, Esther Lina A1 - Brune, Sascha A1 - Glerum, Anne C. A1 - Bott, Judith T1 - Is there a speed limit for the thermal steady-state assumption in continental rifts? JF - Geochemistry, geophysics, geosystems : G 3 ; an electronic journal of the earth sciences N2 - The lithosphere is often assumed to reside in a thermal steady-state when quantitatively describing the temperature distribution in continental interiors and sedimentary basins, but also at active plate boundaries. Here, we investigate the applicability limit of this assumption at slowly deforming continental rifts. To this aim, we assess the tectonic thermal imprint in numerical experiments that cover a range of realistic rift configurations. For each model scenario, the deviation from thermal equilibrium is evaluated. This is done by comparing the transient temperature field of every model to a corresponding steady-state model with an identical structural configuration. We find that the validity of the thermal steady-state assumption strongly depends on rift type, divergence velocity, sampling location, and depth within the rift. Maximum differences between transient and steady-state models occur in narrow rifts, at the rift sides, and if the extension rate exceeds 0.5-2 mm/a. Wide rifts, however, reside close to thermal steady-state even for high extension velocities. The transient imprint of rifting appears to be overall negligible for shallow isotherms with a temperature less than 100 degrees C. Contrarily, a steady-state treatment of deep crustal isotherms leads to an underestimation of crustal temperatures, especially for narrow rift settings. Thus, not only relatively fast rifts like the Gulf of Corinth, Red Sea, and Main Ethiopian Rift, but even slow rifts like the Kenya Rift, Rhine Graben, and Rio Grande Rift must be expected to feature a pronounced transient component in the temperature field and to therefore violate the thermal steady-state assumption for deeper crustal isotherms. KW - basin analysis KW - geodynamics KW - numerical modeling KW - rifting KW - thermal KW - modeling Y1 - 2021 U6 - https://doi.org/10.1029/2020GC009577 SN - 1525-2027 VL - 22 IS - 3 PB - Wiley CY - Hoboken, NJ ER - TY - THES A1 - Bergner, Andreas G. N. T1 - Lake-level fluctuations and Late Quaternary climate change in the Central Kenya Rift N2 - Diese Arbeit beschäftigt sich mit der Rekonstruktion von Klima in historischen Zeiten im tropischen Ostafrika. Nach einer Übersicht über die heutigen klimatischen Bedingungen der Tropen und den Besonderheiten des ostafrikanischen Klimas, werden die Möglichkeiten der Klimarekonstruktion anhand von Seesedimenten diskutiert. Es zeigt sich, dass die hoch gelegenen Seen des Zentralen Keniarifts, als Teil des Ostafrikanischen Grabensystems, besonders geeignete Klimaarchive darstellen, da sie sensibel auf klimatische Veränderungen reagieren. Veränderungen der Seechemie, wie sie in den Sedimenten aufgezeichnet werden, eignen sich um die natürlichen Schwankungen in der Quartären Klimageschichte Ostafrikas nachzuzeichnen. Basierend auf der guten 40Ar/39Ar- und 14C-Datierbarkeit der Seesedimente wird eine Chronologie der paläoökologischen Bedingungen anhand von Diatomeenvergesellschaftungen restauriert. Dabei zeigen sich für die Seen Nakuru, Elmenteita und Naivasha kurzfristige Transgression/ Regressions-Zyklen im Intervall von ca. 11.000 Jahren während des letzten (ca. 12.000 bis 6.000 J.v.H.) und vorletzten Interglazials (ca. 140.000 bis 60.000 J.v.H.). Zusätzlich kann ein allgemeiner, langfristiger Trend der Seeentwicklung von großen Frischwasserseen hin zu stärker salinen Gewässern innerhalb der letzen 1 Mio. Jahre festgestellt werden. Mittels Transferfunktionen und einem hydro-klimatischen Modellansatz können die restaurierten limnologischen Bedingungen als klimatische Schwankungen des Einzugsgebietes interpretiert werden. Wenngleich auch der zusätzliche Einfluss von tektonischen Veränderungen auf das Seeeinzugsgebiet und das Gewicht veränderter Grundwasserströme abgewogen werden, zeigt sich, dass allein geringfügig erhöhte Niederschlagswerte von ca. 30±10 % zu dramatischen Seespiegelanstiegen im Zentralen Keniarift führen. Aufgrund der etablierten hydrrologisch-klimatischen Wechselwirkungen werden Rückschlüsse auf die natürliche Variabilität des ostafrikanischen Klimas gezogen. Zudem wird die Sensitivität der Keniarift-Seen in Bezug auf die Stärke der äquatorialen Insolation und hinsichtilch variabler Oberflächenwassertemperaturen des Indischen Ozeans bewertet. N2 - In this work, an approach of paleoclimate reconstruction for tropical East Africa is presented. After giving a short summary of modern climate conditions in the tropics and the East African climate peculiarity, the potential of reconstructing climate from paleolake sediments is discussed. As demonstrated, the hydrologic sensitivity of high-elevated closed-basin lakes in the Central Kenya Rift yields valuable guaranties for the establishment of long-term climate records. Temporal fluctuations of the limnological characteristics saved in the lake sediments are used to define variations in the Quaternary climate history. Based on diatom analyses in radiocarbon- and 40Ar/39Ar-dated sediments, a chronology of paleoecologic fluctuations is developed for the Central Kenya Rift -lakes Nakuru, Elmenteita and Naivasha. At least during the penultimate interglacial (around 140 to 60 kyr BP) and during the last interglacial (around 12 to 4 kyr BP), these lakes experienced several transgression-regression cycles on time intervals of about 11,000 years. Additionally, a long-term trend of lake evolution is found suggesting the general succession from deep freshwater lakes towards more saline waters during the last million years. Using ecologic transfer functions and a simple lake-balance model, the observed paleohydrologic fluctuations are linked to potential precipitation-evaporation changes in the lake basins. Though also tectonic influences on the drainage pattern and the effect of varied seepage are investigated, it can be shown that already a small increase in precipitation of about 30±10 % may have affected the hydrologic budget of the intra-rift lakes within the reconstructed range. The findings of this study help to assess the natural climate variability of East Africa. They furthermore reflect the sensitivity of the Central Kenya Rift -lakes to fluctuations of large-scale climate parameters, such as solar radiation and sea-surface temperatures of the Indian Ocean. KW - Geologie KW - Diatomeen KW - Seen KW - Paläoklima KW - Modellierung KW - Afrika KW - geology KW - diatoms KW - lake KW - paleoclimate KW - modeling KW - Africa Y1 - 2003 U6 - http://nbn-resolving.de/urn/resolver.pl?urn:nbn:de:kobv:517-0001428 ER - TY - THES A1 - Stoltnow, Malte T1 - Magmatic-hydrothermal processes along the porphyry to epithermal transition T1 - Magmatisch-hydrothermale Prozesse entlang des porphyrisch-epithermalen Übergangs N2 - Magmatic-hydrothermal systems form a variety of ore deposits at different proximities to upper-crustal hydrous magma chambers, ranging from greisenization in the roof zone of the intrusion, porphyry mineralization at intermediate depths to epithermal vein deposits near the surface. The physical transport processes and chemical precipitation mechanisms vary between deposit types and are often still debated. The majority of magmatic-hydrothermal ore deposits are located along the Pacific Ring of Fire, whose eastern part is characterized by the Mesozoic to Cenozoic orogenic belts of the western North and South Americas, namely the American Cordillera. Major magmatic-hydrothermal ore deposits along the American Cordillera include (i) porphyry Cu(-Mo-Au) deposits (along the western cordilleras of Mexico, the western U.S., Canada, Chile, Peru, and Argentina); (ii) Climax- (and sub−) type Mo deposits (Colorado Mineral Belt and northern New Mexico); and (iii) porphyry and IS-type epithermal Sn(-W-Ag) deposits of the Central Andean Tin Belt (Bolivia, Peru and northern Argentina). The individual studies presented in this thesis primarily focus on the formation of different styles of mineralization located at different proximities to the intrusion in magmatic-hydrothermal systems along the American Cordillera. This includes (i) two individual geochemical studies on the Sweet Home Mine in the Colorado Mineral Belt (potential endmember of peripheral Climax-type mineralization); (ii) one numerical modeling study setup in a generic porphyry Cu-environment; and (iii) a numerical modeling study on the Central Andean Tin Belt-type Pirquitas Mine in NW Argentina. Microthermometric data of fluid inclusions trapped in greisen quartz and fluorite from the Sweet Home Mine (Detroit City Portal) suggest that the early-stage mineralization precipitated from low- to medium-salinity (1.5-11.5 wt.% equiv. NaCl), CO2-bearing fluids at temperatures between 360 and 415°C and at depths of at least 3.5 km. Stable isotope and noble gas isotope data indicate that greisen formation and base metal mineralization at the Sweet Home Mine was related to fluids of different origins. Early magmatic fluids were the principal source for mantle-derived volatiles (CO2, H2S/SO2, noble gases), which subsequently mixed with significant amounts of heated meteoric water. Mixing of magmatic fluids with meteoric water is constrained by δ2Hw-δ18Ow relationships of fluid inclusions. The deep hydrothermal mineralization at the Sweet Home Mine shows features similar to deep hydrothermal vein mineralization at Climax-type Mo deposits or on their periphery. This suggests that fluid migration and the deposition of ore and gangue minerals in the Sweet Home Mine was triggered by a deep-seated magmatic intrusion. The second study on the Sweet Home Mine presents Re-Os molybdenite ages of 65.86±0.30 Ma from a Mo-mineralized major normal fault, namely the Contact Structure, and multimineral Rb-Sr isochron ages of 26.26±0.38 Ma and 25.3±3.0 Ma from gangue minerals in greisen assemblages. The age data imply that mineralization at the Sweet Home Mine formed in two separate events: Late Cretaceous (Laramide-related) and Oligocene (Rio Grande Rift-related). Thus, the age of Mo mineralization at the Sweet Home Mine clearly predates that of the Oligocene Climax-type deposits elsewhere in the Colorado Mineral Belt. The Re-Os and Rb-Sr ages also constrain the age of the latest deformation along the Contact Structure to between 62.77±0.50 Ma and 26.26±0.38 Ma, which was employed and/or crosscut by Late Cretaceous and Oligocene fluids. Along the Contact Structure Late Cretaceous molybdenite is spatially associated with Oligocene minerals in the same vein system, a feature that precludes molybdenite recrystallization or reprecipitation by Oligocene ore fluids. Ore precipitation in porphyry copper systems is generally characterized by metal zoning (Cu-Mo to Zn-Pb-Ag), which is suggested to be variably related to solubility decreases during fluid cooling, fluid-rock interactions, partitioning during fluid phase separation and mixing with external fluids. The numerical modeling study setup in a generic porphyry Cu-environment presents new advances of a numerical process model by considering published constraints on the temperature- and salinity-dependent solubility of Cu, Pb and Zn in the ore fluid. This study investigates the roles of vapor-brine separation, halite saturation, initial metal contents, fluid mixing, and remobilization as first-order controls of the physical hydrology on ore formation. The results show that the magmatic vapor and brine phases ascend with different residence times but as miscible fluid mixtures, with salinity increases generating metal-undersaturated bulk fluids. The release rates of magmatic fluids affect the location of the thermohaline fronts, leading to contrasting mechanisms for ore precipitation: higher rates result in halite saturation without significant metal zoning, lower rates produce zoned ore shells due to mixing with meteoric water. Varying metal contents can affect the order of the final metal precipitation sequence. Redissolution of precipitated metals results in zoned ore shell patterns in more peripheral locations and also decouples halite saturation from ore precipitation. The epithermal Pirquitas Sn-Ag-Pb-Zn mine in NW Argentina is hosted in a domain of metamorphosed sediments without geological evidence for volcanic activity within a distance of about 10 km from the deposit. However, recent geochemical studies of ore-stage fluid inclusions indicate a significant contribution of magmatic volatiles. This study tested different formation models by applying an existing numerical process model for porphyry-epithermal systems with a magmatic intrusion located either at a distance of about 10 km underneath the nearest active volcano or hidden underneath the deposit. The results show that the migration of the ore fluid over a 10-km distance results in metal precipitation by cooling before the deposit site is reached. In contrast, simulations with a hidden magmatic intrusion beneath the Pirquitas deposit are in line with field observations, which include mineralized hydrothermal breccias in the deposit area. N2 - Magmatisch-hydrothermale Systeme bilden eine Vielzahl von Erzlagerstätten in unterschiedlicher Entfernung zu wasserhaltigen Magmakammern in der oberen Erdkruste, von der Greisenbildung in der Dachzone der Intrusion über die Porphyrmineralisierung in mittleren Tiefen bis hin zu epithermalen Ganglagerstätten nahe der Erdoberfläche. Die physikalischen Transportprozesse und chemischen Ausfällungsmechanismen variieren zwischen den verschiedenen Lagerstättentypen und werden immer noch häufig diskutiert. Die meisten magmatisch-hydrothermalen Erzlagerstätten befinden sich entlang des Pazifischen Feuerrings, dessen östlicher Teil durch die mesozoischen bis känozoischen orogenen Gürtel des westlichen Nord- und Südamerikas, zusammen die Amerikanische Kordillere, vertreten ist. Zu den wichtigsten magmatisch-hydrothermalen Erzlagerstätten entlang der Amerikanischen Kordillere gehören (i) Cu(-Mo-Au)-Porphyrlagerstätten (entlang der westlichen Kordilleren Mexikos, der westlichen USA, Kanadas, Chiles, Perus und Argentiniens); (ii) Mo-Lagerstätten vom Climax- (und Sub-)Typ (Colorado Mineral Belt und nördliches New Mexico); und (iii) porphyrische und epithermale Sn(-W-Ag)-Lagerstätten vom IS-Typ des Zentralandinen-Zinngürtels (Bolivien, Peru und Nordargentinien). Die einzelnen Studien dieser Arbeit konzentrieren sich in erster Linie auf die Bildung verschiedener Vererzungsstypen, die sich in unterschiedlicher Entfernung zur Intrusion in magmatisch-hydrothermalen Systemen entlang der amerikanischen Kordillere befinden. Dazu gehören (i) zwei geochemische Einzelstudien über die Sweet Home-Mine im Colorado Mineral Belt (potenzielles Endglied der peripheren Mineralisierung des Climax-Typs); (ii) eine numerische Modellierungsstudie in einem generischen Cu-Porphyr-Setup; und (iii) eine numerische Modellierungsstudie über die Pirquitas-Mine des Zentralandinen-Zinn-Typs in Nordwest-Argentinien. Mikrothermometrische Daten von Fluideinschlüssen, die in Greisenquarz und -fluorit aus der Sweet Home-Mine (Detroit City Portal) eingeschlossen sind, deuten darauf hin, dass die Mineralisierung im Frühstadium aus CO2-haltigen Fluiden mit niedrigem bis mittlerem Salzgehalt (1,5-11,5 Gew.-% NaCl-Äquivalent) bei Temperaturen zwischen 360 und 415 °C und in einer Tiefe von mindestens 3,5 km ausgefällt wurde. Daten zu stabilen Isotopen und Edelgasisotopen zeigen, dass die Greisenbildung und die Buntmetallvererzung in der Sweet Home-Mine mit Fluiden unterschiedlichen Ursprungs in Verbindung stehen. Frühe magmatische Fluide waren die Hauptquelle für aus dem Mantel stammende Volatile (CO2, H2S/SO2, Edelgase), die sich anschließend mit erheblichen Mengen erhitzten meteorischen Wassers vermischten. Die Vermischung von magmatischen Fluiden mit meteorischem Wasser wird durch die Zusammenhänge von δ2Hw-δ18Ow der Fluideinschlüsse belegt. Die tiefe hydrothermale Vererzung in der Sweet Home-Mine weist ähnliche Merkmale auf wie die tiefe hydrothermale Gangvererzung in Mo-Lagerstätten vom Climax-Typ oder in deren Peripherie. Dies deutet darauf hin, dass die Fluidmigration und die Ausfällung von Erz und Gangmineralen in der Sweet Home-Mine durch eine tief sitzende magmatische Intrusion angeregt wurde. Die zweite Studie über die Sweet Home Mine präsentiert ein Re-Os-Molybdänit-Alter von 65,86±0,30 Ma aus einer Mo-vererzten Abschiebung, namentlich der Contact Structure, und ein multimineralisches Rb-Sr-Isochronen-Alter von 26,26±0,38 Ma und 25,3±3,0 Ma von Gangmineralen in Greisenvergesellschaftungen. Die Altersdaten deuten darauf hin, dass die Vererzungen in der Sweet Home Mine während zweier separater Ereignisse entstand: In der späten Kreidezeit (im Zusammenhang mit der Laramidischen Orogenese) und im Oligozän (im Zusammenhang mit dem Rio Grande Rift). Das Alter der Mo-Vererzung in der Sweet Home Mine liegt demnach eindeutig vor dem der oligozänen Climax-Lagerstätten anderswo im Colorado Mineral Belt. Die Re-Os- und Rb-Sr-Alter grenzen auch das Alter der jüngsten Deformation entlang der Contact Structure, die von spätkreidezeitlichen und oligozänen Fluiden genutzt und/oder geschnitten wurde, auf 62,77±0,50 Ma und 26,26±0,38 Ma ein. Entlang der Contact Structure ist spätkreidezeitlicher Molybdänit räumlich mit Mineralen aus dem Oligozän in demselben Gangsystem vergesellschaftet, was eine Rekristallisierung oder Ausfällung von Molybdänit durch oligozäne Fluide ausschließt. Die Erzausfällung in porphyrischen Kupfersystemen ist im Allgemeinen durch eine Metallzonierung (Cu-Mo bis Zn-Pb-Ag) gekennzeichnet, die vermutlich mit der Abnahme der Löslichkeit während der Fluidabkühlung, den Wechselwirkungen zwischen Fluid und Gestein, der Partitionierung während der Phasenseparation des Fluids und der Mischung mit externen Fluiden in Zusammenhang steht. Die numerische Modellierung, die in einer generischen Porphyr-Cu-Umgebung durchgeführt wurde, stellt neue Fortschritte eines numerischen Prozessmodells dar, indem sie veröffentlichte Randbedingungen für die temperatur- und salinitätsabhängige Löslichkeit von Cu, Pb und Zn im Erzfluid berücksichtigt. Diese Studie untersucht die Rolle der Dampf-Sole-Separation, der Halitsättigung, des anfänglichen Metallgehalts, der Fluidmischung und der Remobilisierung als Einflussfaktoren erster Ordnung der physikalischen Hydrologie auf die Erzbildung. Die Ergebnisse zeigen, dass die magmatischen Dampf- und Solephasen mit unterschiedlichen Verweilzeiten, aber als mischbare Fluide aufsteigen, wobei eine Erhöhung des Salzgehalts zu einem metall-ungesättigten Gesamtfluid führt. Die Freisetzungsraten der magmatischen Fluide wirken sich auf die Lage der thermohalinen Fronten aus, was zu widersprüchlichen Mechanismen für die Erzausfällung führt: Höhere Raten führen zu einer Halitsättigung ohne signifikante Metallzonierung, niedrigere Raten erzeugen zonierte Erzschalen aufgrund der Mischung mit meteorischem Wasser. Unterschiedliche Metallgehalte können sich auf die Reihenfolge der endgültigen Metallausfällung auswirken. Die Wiederauflösung bereits ausgefällter Metalle führt zu zonierten Erzschalenmustern in periphereren Bereichen und entkoppelt auch die Halitsättigung von der Erzausfällung. Die epithermale Pirquitas Sn-Ag-Pb-Zn-Mine im Nordwesten Argentiniens befindet sich in einem Bereich metamorphisierter Sedimente ohne geologische Hinweise auf vulkanische Aktivitäten in einer Entfernung von etwa 10 km zur Lagerstätte. Jüngste geochemische Untersuchungen von Fluideinschlüssen im Erzstadium deuten jedoch auf einen bedeutenden Beitrag von magmatischen Volatilen hin. In dieser Studie wurden verschiedene Entstehungsmodelle getestet, indem ein bestehendes numerisches Prozessmodell für porphyrisch-epithermale Systeme mit einer magmatischen Intrusion angewandt wurde, die sich entweder in einer Entfernung von etwa 10 km unterhalb des nächstgelegenen aktiven Vulkans oder verborgen unterhalb der Lagerstätte befindet. Die Ergebnisse zeigen, dass die Migration der Erzflüssigkeit über eine Entfernung von 10 km zu einer Metallausfällung durch Abkühlung führt, bevor die Lagerstätte erreicht wird. Im Gegensatz dazu stimmen die Simulationen mit einer verborgenen magmatischen Intrusion unter der Pirquitas-Lagerstätte mit den Feldbeobachtungen überein, die mineralisierte hydrothermale Brekzien im Lagerstättenbereich umfassen. KW - magmatic KW - hydrothermal KW - ore KW - deposits KW - copper KW - lead KW - zinc KW - molybdenum KW - numerical KW - modeling KW - Sweet KW - Home KW - Pirquitas KW - Colorado KW - Argentina KW - Argentinien KW - Colorado KW - Home KW - Pirquitas KW - Sweet KW - Kupfer KW - Lagerstätte KW - hydrothermal KW - Blei KW - magmatisch KW - Modellierung KW - Molybdän KW - numerisch KW - Erz KW - Zink Y1 - 2023 U6 - http://nbn-resolving.de/urn/resolver.pl?urn:nbn:de:kobv:517-opus4-611402 ER - TY - JOUR A1 - Stillman, Richard A. A1 - Railsback, Steven Floyd A1 - Giske, Jarl A1 - Berger, Uta A1 - Grimm, Volker T1 - Making Predictions in a Changing World: The Benefits of Individual-Based Ecology JF - Bioscience N2 - Ecologists urgently need a better ability to predict how environmental change affects biodiversity. We examine individual-based ecology (IBE), a research paradigm that promises better a predictive ability by using individual-based models (IBMs) to represent ecological dynamics as arising from how individuals interact with their environment and with each other. A key advantage of IBMs is that the basis for predictions-fitness maximization by individual organisms-is more general and reliable than the empirical relationships that other models depend on. Case studies illustrate the usefulness and predictive success of long-term IBE programs. The pioneering programs had three phases: conceptualization, implementation, and diversification. Continued validation of models runs throughout these phases. The breakthroughs that make IBE more productive include standards for describing and validating IBMs, improved and standardized theory for individual traits and behavior, software tools, and generalized instead of system-specific IBMs. We provide guidelines for pursuing IBE and a vision for future IBE research. KW - ecology KW - fitness-maximization KW - individual-based KW - modeling KW - prediction Y1 - 2015 U6 - https://doi.org/10.1093/biosci/biu192 SN - 0006-3568 SN - 1525-3244 VL - 65 IS - 2 SP - 140 EP - 150 PB - Oxford Univ. Press CY - Oxford ER - TY - JOUR A1 - Ali, Mostafa A1 - Homann, Thomas A1 - Khalil, Mahmoud A1 - Kruse, Hans-Peter A1 - Rawel, Harshadrai Manilal T1 - Milk whey protein modification by coffee-specific phenolics effect on structural and functional properties JF - Journal of agricultural and food chemistry : a publication of the American Chemical Society N2 - A suitable vehicle for integration of bioactive plant constituents is proposed. It involves modification of proteins using phenolics and applying these for protection of labile constituents. It dissects the noncovalent and covalent interactions of beta-lactoglobulin with coffee-specific phenolics. Alkaline and polyphenol oxidase modulated covalent reactions were compared. Tryptic digestion combined with MALDI-TOF-MS provided tentative allocation of the modification type and site in the protein, and an in silico modeling of modified beta-lactoglobulin is proposed. The modification delivers proteins with enhanced antioxidative properties. Changed structural properties and differences in solubility, surface hydrophobicity, and emulsification were observed. The polyphenol oxidase modulated reaction provides a modified beta-lactoglobulin with a high antioxidative power, is thermally more stable, requires less energy to unfold, and, when emulsified with lutein esters, exhibits their higher stability against UV light. Thus, adaptation of this modification provides an innovative approach for functionalizing proteins and their uses in the food industry. KW - coffee phenolic compounds KW - whey proteins KW - antioxidants KW - protein-phenol interactions KW - modeling KW - functionalizing proteins Y1 - 2013 U6 - https://doi.org/10.1021/jf402221m SN - 0021-8561 VL - 61 IS - 28 SP - 6911 EP - 6920 PB - American Chemical Society CY - Washington ER -