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- ItemSynthesis and Self-Assembly Behavior of Double Ullazine-Based Polycyclic Aromatic Hydrocarbons(Stuttgart : Georg Thieme, 2021) Richter, Marcus; Borkowski, Michał; Fu, Yubin; Dmitrieva, Evgenia; Popov, Alexey A.; Ma, Ji; Marszalek, Tomasz; Pisula, Wojciech; Feng, XinliangPolycyclic aromatic azomethine ylides (PAMY, 1) are versatile building blocks for the bottom-up synthesis of nitrogen-containing polycyclic aromatic hydrocarbons (N-PAHs). Although the chemistry of PAMY was already established few years ago, the cycloaddition of a double PAMY building block has not been reported so far. In this work, we demonstrate the first cycloaddition of a PAMY-dimer (6), which opens the access to three different alkyl ester-substituted N-PAHs with a laterally extended double ullazine scaffold (DU-1, DU-2 and DU-3). Interestingly, the cyclic voltammetry of DU-1-3 exhibited three reversible oxidation waves, which confirmed the electron-rich nature of the double ullazine scaffold. Furthermore, in-situ spectroelectrochemistry study of ethylhexyl ester-substituted DU-3 revealed the formation of different cationic species with new absorption bands up to 1689 nm. Additionally, the influence of the attached substituents on the film formation and supramolecular organization in the thin films were investigated by polarized optical microscopy and grazing incidence wide-angle X-ray scattering.
- ItemTowards the semantic formalization of science(New York City, NY : Association for Computing Machinery, 2020) Fathalla, Said; Auer, Sören; Lange, ChristophThe past decades have witnessed a huge growth in scholarly information published on the Web, mostly in unstructured or semi-structured formats, which hampers scientific literature exploration and scientometric studies. Past studies on ontologies for structuring scholarly information focused on describing scholarly articles' components, such as document structure, metadata and bibliographies, rather than the scientific work itself. Over the past four years, we have been developing the Science Knowledge Graph Ontologies (SKGO), a set of ontologies for modeling the research findings in various fields of modern science resulting in a knowledge graph. Here, we introduce this ontology suite and discuss the design considerations taken into account during its development. We deem that within the next years, a science knowledge graph is likely to become a crucial component for organizing and exploring scientific work.
- ItemDevelopment and Implementation of a Guideline for the Combination of Additively Manufactured Joint Assemblies with Wire Actuators made of Shape Memory Alloys(Amsterdam [u.a.] : Elsevier, 2023) Löffler, Robin; Tremmel, Stephan; Hornfeck, RüdigerSmart Materials actuators in the form of wires made of shape memory alloys in combination with additively manufactured carrier components are used in a wide variety of prototype developments of innovative joint assemblies. This combination is relevant because of the same manufacturing costs of the additively manufactured components, which are independent of the quantity of parts, the free geometric design possibilities as well as the huge energy density of the aforementioned actuator technology. In particular, the focus is on the possibility of appropriately fitting large wire lengths on a compact part volume while taking into account acceptable force losses. Since there is no design guideline for such joint developments, each is individual, which results in unnecessarily long development times and a higher risk of errors. Based on selected in-house and third-party examples, integration possibilities of shape memory alloy wire actuators in additively manufactured carrier components are analysed and transferred into a universally applicable design guideline. These recommendations are brought into the framework of existing design guidelines of the VDI (Verein Deutscher Ingenieure – Association of German Engineers), namely VDI 2206 and VDI 2221 with extensions for additive manufacturing, for a better usability and integrability into existing processes. Finally, this results in a simplified access to the topic of the combination of additive manufacturing and shape memory alloys and a more efficient realisation of such joint developments.
- ItemGeometric Basics and Calculation Methods for the Design of a Technical Saddle Joint based on Owl Neck Vertebrae(Amsterdam [u.a.] : Elsevier, 2023) Gründer, Johannes; Hornfeck, RüdigerA saddle joint enables the movement of two components relative to each other primarily about two axes of rotation and, to a limited extent, in translational direction. This type of joint is primarily found in nature, for example in the human thumb, in the ossicles and the cervical spine of owls. Motivated by the high degree of the owls’ head mobility, the authors aim to make this high motion potential technically accessible by defining relevant design parameters and developing calculation methods for dimensioning the saddle joint components. First, an abstracted contact geometry model based on the owls’ saddle joints is de-fined. A method for calculating the kinematics of the joint as a function of the previously introduced design parameters of the contact is derived mathematically. Regarding the implementation in a design process, this model is used to calculate the restoring forces required to stabilize the joint parts as well as the actuator torque needed for a specific rotational movement around those axes. Furthermore, the rotational stiffness of a specific joint geometry is calculated as an important design criterion. In summary, the defined contact geometry, the kinematics, and the computable forces serve as basis for designing technical saddle joints in the future.
- ItemToward Representing Research Contributions in Scholarly Knowledge Graphs Using Knowledge Graph Cells(New York City, NY : Association for Computing Machinery, 2020) Vogt, Lars; D'Souza, Jennifer; Stocker, Markus; Auer, SörenThere is currently a gap between the natural language expression of scholarly publications and their structured semantic content modeling to enable intelligent content search. With the volume of research growing exponentially every year, a search feature operating over semantically structured content is compelling. Toward this end, in this work, we propose a novel semantic data model for modeling the contribution of scientific investigations. Our model, i.e. the Research Contribution Model (RCM), includes a schema of pertinent concepts highlighting six core information units, viz. Objective, Method, Activity, Agent, Material, and Result, on which the contribution hinges. It comprises bottom-up design considerations made from three scientific domains, viz. Medicine, Computer Science, and Agriculture, which we highlight as case studies. For its implementation in a knowledge graph application we introduce the idea of building blocks called Knowledge Graph Cells (KGC), which provide the following characteristics: (1) they limit the expressibility of ontologies to what is relevant in a knowledge graph regarding specific concepts on the theme of research contributions; (2) they are expressible via ABox and TBox expressions; (3) they enforce a certain level of data consistency by ensuring that a uniform modeling scheme is followed through rules and input controls; (4) they organize the knowledge graph into named graphs; (5) they provide information for the front end for displaying the knowledge graph in a human-readable form such as HTML pages; and (6) they can be seamlessly integrated into any existing publishing process thatsupports form-based input abstracting its semantic technicalities including RDF semantification from the user. Thus RCM joins the trend of existing work toward enhanced digitalization of scholarly publication enabled by an RDF semantification as a knowledge graph fostering the evolution of the scholarly publications beyond written text.
- ItemThe force of MOFs: The potential of switchable metal-organic frameworks as solvent stimulated actuators(Cambridge : RSC, 2020) Freund, Pascal; Senkovska, Irena; Zheng, Bin; Bon, Volodymyr; Krause, Beate; Maurin, Guillaume; Kaskel, StefanWe evaluate experimentally the force exerted by flexible metal-organic frameworks through expansion for a representative model system, namely MIL-53(Al). The results obtained are compared with data collected from intrusion experiments while molecular simulations are performed to shed light on the re-opening of the guest-loaded structure. The critical impact of the transition stimulating medium on the magnitude of the expansion force is demonstrated.
- ItemAn OER Recommender System Supporting Accessibility Requirements(New York : Association for Computing Machinery, 2020) Elias, Mirette; Tavakoli, Mohammadreza; Lohmann, Steffen; Kismihok, Gabor; Auer, Sören; Gurreiro, Tiago; Nicolau, Hugo; Moffatt, KarynOpen Educational Resources are becoming a significant source of learning that are widely used for various educational purposes and levels. Learners have diverse backgrounds and needs, especially when it comes to learners with accessibility requirements. Persons with disabilities have significantly lower employment rates partly due to the lack of access to education and vocational rehabilitation and training. It is not surprising therefore, that providing high quality OERs that facilitate the self-development towards specific jobs and skills on the labor market in the light of special preferences of learners with disabilities is difficult. In this paper, we introduce a personalized OER recommeder system that considers skills, occupations, and accessibility properties of learners to retrieve the most adequate and high-quality OERs. This is done by: 1) describing the profile of learners with disabilities, 2) collecting and analysing more than 1,500 OERs, 3) filtering OERs based on their accessibility features and predicted quality, and 4) providing personalised OER recommendations for learners according to their accessibility needs. As a result, the OERs retrieved by our method proved to satisfy more accessibility checks than other OERs. Moreover, we evaluated our results with five experts in educating people with visual and cognitive impairments. The evaluation showed that our recommendations are potentially helpful for learners with accessibility needs.
- ItemGenerate FAIR Literature Surveys with Scholarly Knowledge Graphs(New York City, NY : Association for Computing Machinery, 2020) Oelen, Allard; Jaradeh, Mohamad Yaser; Stocker, Markus; Auer, SörenReviewing scientific literature is a cumbersome, time consuming but crucial activity in research. Leveraging a scholarly knowledge graph, we present a methodology and a system for comparing scholarly literature, in particular research contributions describing the addressed problem, utilized materials, employed methods and yielded results. The system can be used by researchers to quickly get familiar with existing work in a specific research domain (e.g., a concrete research question or hypothesis). Additionally, it can be used to publish literature surveys following the FAIR Data Principles. The methodology to create a research contribution comparison consists of multiple tasks, specifically: (a) finding similar contributions, (b) aligning contribution descriptions, (c) visualizing and finally (d) publishing the comparison. The methodology is implemented within the Open Research Knowledge Graph (ORKG), a scholarly infrastructure that enables researchers to collaboratively describe, find and compare research contributions. We evaluate the implementation using data extracted from published review articles. The evaluation also addresses the FAIRness of comparisons published with the ORKG.
- ItemGenealogical properties of spatial models in Population Genetics(Hannover : Technische Informationsbibliothek, 2023-09) Wirtz, JohannesAt the interface between Phylo- and Population Genetics, and recently heavily inspired by Epidemonology, the discipline of Phylogeography comprises modelling techniques from classical theoretical biology and combines them with a spatial (2D or 3D) aspect, with the purpose of utilizing geographical information in the analysis to understand the evolutionary history of a biological system or aspects of virology such as directionality and seasonality in pandemic outbreaks [1, 2, 3, 4]. An prime example of this are datasets that take into account the sampling locations of its components (geo-referenced genomic data). In this project, we have focused on the model called "spatial Lambda-Fleming-Viot process" ( V [5, 6]) and analzed its statistical properties forward in time as well as in the ancestral (dual) process, with results that may be used for parameter inference. Of particlar interest was the spatial variance, denoted , a parameter controlling the speed at which genetic information is spread across space and therefore an analog of the reproduction number (R0) used in epidemonology e.g. to assess the infectiousness of differing viral strains. We explored the relation of this parameter to the time to coalescence between lineage pairs in this model and described methods of estimating it from sampled data under different circumstances. We have furthermore investigated similarities and differences between this model and classical models in Population Genetics, particularly Birth-Death processes, which are heavily used for all kinds of biological inference problems, but do not by themselves feature a spatial component. We compared the Vto a variant of the Birth-Death process where the location of a live individual changes over the course of its lifetime according to a Brownian motion. This process is not as easily viewed backward in time as the V, but the genalogical process is accessible by Markov-Chain Monte Carlosimulation, as the likelihoods of ancestral positions and branch lengths are easily calculated, making this model easily applicable to data. Our analysis highlights the analogy between the two processes forward in time as well as backward in time; on the other hand, we also observed a divergent behavior of the two models when no prior on the phylogenetic time scale was assumed. Lastly, this project has given rise to a study of combinatorial properties of tree shapes relevant to the V, the Birth-Death and other biological processes. In particular, we were able to identify the combinatorial class genealogical trees generated from these processes belong to and verify a conjecture regarding their enumeration. Preliminary versions of software tools for the aforementioned inference have also been provided.
- ItemA Data-Driven Approach for Analyzing Healthcare Services Extracted from Clinical Records(Piscataway, NJ : IEEE, 2020) Scurti, Manuel; Menasalvas-Ruiz, Ernestina; Vidal, Maria-Esther; Torrente, Maria; Vogiatzis, Dimitrios; Paliouras, George; Provencio, Mariano; Rodríguez-González, Alejandro; Seco de Herrera, Alba García; Rodríguez González, Alejandro; Santosh, K.C.; Temesgen, Zelalem; Soda, PaoloCancer remains one of the major public health challenges worldwide. After cardiovascular diseases, cancer is one of the first causes of death and morbidity in Europe, with more than 4 million new cases and 1.9 million deaths per year. The suboptimal management of cancer patients during treatment and subsequent follows up are major obstacles in achieving better outcomes of the patients and especially regarding cost and quality of life In this paper, we present an initial data-driven approach to analyze the resources and services that are used more frequently by lung-cancer patients with the aim of identifying where the care process can be improved by paying a special attention on services before diagnosis to being able to identify possible lung-cancer patients before they are diagnosed and by reducing the length of stay in the hospital. Our approach has been built by analyzing the clinical notes of those oncological patients to extract this information and their relationships with other variables of the patient. Although the approach shown in this manuscript is very preliminary, it shows that quite interesting outcomes can be derived from further analysis. © 2020 IEEE. Personal use of this material is permitted. Permission from IEEE must be obtained for all other uses, in any current or future media, including reprinting/republishing this material for advertising or promotional purposes, creating new collective works, for resale or redistribution to servers or lists, or reuse of any copyrighted component of this work in other works.