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Most motions of many-body systems at any scale in nature with sufficient degrees of freedom tend to be chaotic; reaching from the orbital motion of planets, the air currents in our atmosphere, down to the water flowing through our pipelines or the movement of a population of bacteria. To the observer it is therefore intriguing when a moving collective exhibits order. Collective motion of flocks of birds, schools of fish or swarms of self-propelled particles or robots have been studied extensively over the past decades but the mechanisms involved in the transition from chaos to order remain unclear. Here, the interactions, that in most systems give rise to chaos, sustain order. In this thesis we investigate mechanisms that preserve, destabilize or lead to the ordered state. We show that endothelial cells migrating in circular confinements transition to a collective rotating state and concomitantly synchronize the frequencies of nucleating actin waves within individual cells. Consequently, the frequency dependent cell migration speed uniformizes across the population. Complementary to the WAVE dependent nucleation of traveling actin waves, we show that in leukocytes the actin polymerization depending on WASp generates pushing forces locally at stationary patches. Next, in pipe flows, we study methods to disrupt the self–sustaining cycle of turbulence and therefore relaminarize the flow. While we find in pulsating flow conditions that turbulence emerges through a helical instability during the decelerating phase. Finally, we show quantitatively in brain slices of mice that wild-type control neurons can compensate the migratory deficits of a genetically modified neuronal sub–population in the developing cortex.

In this master thesis I describe the theoretical foundations for the modelling of two dimensional electronic spectroscopy (2DES) experiments.First the electrodynamical aspects are discussed in terms of a solution of Maxwell's equations for propagation of light incident on matter. Afterwards the quantum mechanical aspects of the system-light interaction of the system with the environment are introduced in view of a treatment of the light-interacted third-order polarization in the framework of response function theory. The resulting response functions are analyzed, thereby assigning peaks in the two-dimensional spectra to different excition pathways. The theory is applied first to a model dimer and afterwards to the water-soluble chlorophyll-binding protein (WSCP) reconstituted with chlorophyll (Chl)-$a$ or Chl-$b$. In case of Chl-$a$ WSCP, the experimental 2DES spectra from the literature can be reproduced quite well by applying a standard Frenkel exciton Hamiltonian. The 2DES spectra reveal a sub $100$ fs exciton relation in the Chl-$a$ of WSCP. For Chl-$b$ WSCP, we have to assume that chemically modified derivates of Chl-$b$ are bound in some of the WSCP complexes, in order to explain the linear absorption, circular dichroism and 2DES spectra. This interpretation corrects a resend suggestion in the literature, that the excitonic coupling in the Chl-$b$ dimers in WSCP is enhanced roughly 4-fold by a hydrogen bound between Chl-$b$ and the protein. submitted by Michael Riedl, BSc Abweichender Titel laut Übersetzung der Verfasserin/des Verfassers Masterarbeit Universität Linz 2023

In G. Pernigotti, F. Patuzzi, A. Prada, V. Corrado & A. Gasparella (Eds.), Building Simulation Applications BSA 2022 (pp. 507–513).

SUMOylation is a reversible post–translational modification (PTM) involving covalent attachment of small ubiquitin-related modifier (SUMO) proteins to substrate proteins. Dysregulation of SUMOylation and deSUMOylation results in cellular malfunction and is linked to various diseases, such as cancer. Sentrin-specific proteases (SENPs) were identified for the maturation of SUMOs and the deconjugation of SUMOs from their substrate proteins. Hence, this is a promising target tackling the dysregulation of the SUMOylation process. Herein, we report the discovery of a novel protein-protein interaction (PPI) inhibitor for SENP1-SUMO1 by virtual screening and subsequent medicinal chemistry optimization of the hit molecule. The optimized inhibitor ZHAWOC8697 showed IC50 values of 8.6 μM against SENP1 and 2.3 μM against SENP2. With a photo affinity probe the SENP target was validated. This novel SENP inhibitor represents a new valuable tool for the study of SUMOylation processes and the SENP-associated development of small molecule-based treatment options.

Several studies proved that occupant behaviour has a significant impact on energy consumption and indoor comfort. Thus, monitoring data and Internet of Things solutions are used to address behavioural changes for promoting energy efficiency and increasing, at the same time, the comfort perception. The possibility of seeing invisible information, such as energy consumption or comfort parameters, on a digital support have been proved to be effective in increasing users’ awareness and to encourage efficient behaviours. This paper presents a GUI developed for increasing the user awareness and involving them actively in addressing their actions and presents the back-end architecture for making prediction and sharing feedbacks with the users. By means of the interface user can: (1) Visualize information related to monitoring data, selecting, and filtering the data they would like to see. (2) Receive real time personalized feedbacks based on behavioural predictions defined by using Artificial Intelligence (AI) algorithm. The AI algorithms are based on a physics-assisted approach to achieve better results with less input. Missing (monitoring) data is calculated by applying physical models (building energy simulations) and only for the remaining parts machine learning models are used. Mainly we apply LSTM models. (3) Express personal comfort feedbacks based on comfort perception, for setting user-oriented feedbacks. The first part of the paper describes the architecture of the monitoring systems and presents the GUIs developed for two different case studies: a social housing building and a nursery school. The personalization of the GUIs based on user’s typology has been done for enhancing the active participation and the involvement of the users in the project. The second part of the paper presents the back-end architecture of the GUI and the AI algorithms used for monitoring data analysis. The physis-assisted algorithm allows us to make predictions based on occupancy behaviour and to provide each occupant with tailored personalized feedback to promote energy-saving behaviours in real-time. We have placed more than 150 sensors in these two buildings that return us almost 1000 measured variables that can be used for the training of the AI models., CLIMA 2022 conference, 2022: CLIMA 2022 The 14th REHVA HVAC World Congress

Das Programmieren von Robotern ist meist kosten- und zeitintensiv und wird in der Regel von Systemintegratoren durchgef��hrt. F��r kleine und mittlere Unternehmen (KMU) stellt dies ein Problem dar, da durch geringe Losgr����en Robotersysteme h��ufig neu programmiert werden m��ssen. Um Robotersysteme f��r KMU wirtschaftlicher zu machen muss der Programmierprozess g��nstiger und schneller gemacht werden. Eine M��glichkeit dies zu erreichen ist, dass Werker:innen in KMU, anstelle von Systemintegratoren, die Roboter mit Hilfe eines intuitiven Programmiersystems f��r Nicht-Expert:innen programmieren. Diese Arbeit stellt ein neuartiges Konzept f��r ein intuitiv zu bedienendes, schnelles Mehrroboter Programmiersystem f��r Pick-and-Place Anwendungen vor. Es basiert auf der kin��sthetische Programmierung von Robotern in Form der Playback Programmierung. Ziel ist es, Dom��nen-Expert:innen ohne textuelle Programmierkenntnisse das Programmieren von Robotern zu erm��glichen. Der vorgeschlagene Ansatz setzt auf vier Kernaspekte: Darstellen, Editieren, Kontrollieren und Synchronisieren. Unter dem Aspekt Darstellen wird zun��chst eine kontextfreie Grammatik f��r die kin��sthetisch demonstrierten Roboterprogramme in Form einer Backus-Naur-Form (BNF) entwickelt. Die Elemente dieser BNF werden anschlie��end ��bersetzt in eine skalierbare und geschichtete graphische Darstellung entlang einer Zeitleiste. F��r den Aspekt Editieren wird ein Konzept zum graphischen Editieren der kin��sthetisch demonstrierten Roboterprogramme entlang der Zeitleisten pr��sentiert. Unter dem Aspekt Kontrollieren werden Konzepte f��r sensorbasierte Schleifen und Verzweigungen in kin��sthetisch demonstrierten Roboterprogrammen vorgestellt. Zus��tzlich wird ein Konzept f��r Schleifen-Inkremente definiert, welche das Programmieren von Stapel- und Palettieraufgaben erm��glichen. F��r den Aspekt Synchronisieren wird ein Konzept zur zeitlichen Synchronisation mehrerer Roboter mit Hilfe von Synchronisationspunkten und Synchronisationsintervallen erarbeitet. Dieses Konzept wird auf eine Synchronisation zwischen Mensch und Roboter erweitert. Alle Konzepte der vier Aspekte werden in ein prototypisches Programmiersystem integriert. Das Programmiersystem wird in einer Studie mit 42 Teilnehmer:innen hinsichtlich intuitiver Bedienbarkeit, bestehend aus Effektivit��t, mentaler Effizienz und Zufriedenheit, evaluiert. Die Ergebnisse der Evaluation zeigen ein intuitiv zu bedienendes Programmiersystem.