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ChatGPT ist ein leistungsstarker Chatbot, der nach Eingabe konkreter Aufforderungen maßgeschneiderte Texte erstellt und Entwickler beim Programmieren unterstützen kann. Dazu bildet das GPT-Modell, ein „Large Language Model“ (LLM), Muster auf ein statistisches Modell ab, die dem Nutzer eine Antwort auf eine Frage generieren. Durch die große mediale Aufmerksamkeit mit der ChatGPT eingeführt wurde haben eine Vielzahl von Nutzern die potenziellen Chancen dieser Technologie kennengelernt. Jedoch birgt ChatGPT auch eine Reihe von Risiken.
In diesem Artikel werden sowohl die Chancen als auch die Risiken von ChatGPT umfassend insbesondere im Bereich Cyber-Sicherheit betrachtet.
As a rule, an experiment carried out at school or in undergraduate study
courses is rather simple and not very informative. However, when the experiments
are to be performed using modern methods, they are often abstract and
difficult to understand. Here, we describe a quick and simple experiment,
namely the enzymatic characterization of ptyalin (human salivary amylase)
using a starch degradation assay. With the experimental setup presented here,
enzyme parameters, such as pH optimum, temperature optimum, chloride
dependence, and sensitivity to certain chemicals can be easily determined. This
experiment can serve as a good model for enzyme characterization in general,
as modern methods usually follow the same principle: determination of the
activity of the enzyme under different conditions. As different alleles occur in
humans, a random selection of test subjects will be quite different with regard
to ptyalin activities. Therefore, when the students measure their own ptyalin
activity, significant differences will emerge, and this will give them an idea of
the genetic diversity in human populations. The evaluation has shown that the
pupils have gained a solid understanding of the topic through this experiment.
Einleitung und Fragestellung:
Abusive Supervision wird mit willentlicher Leistungszurückhaltung, verringerter Motivation, erhöhtem Stresserleben, psychosomatischen Beschwerden und Burnout bei Mitarbeitenden assoziiert. Angesichts der hohen Prävalenz destruktiver Führung bleibt bislang die Frage offen, welche
protektiven Ressourcen die genannten Zusammenhänge abpuffern.
Theoretischer Hintergrund:
Abusive Supervision bezieht sich auf das Ausmaß der feindseligen verbalen und nonverbalen Verhaltensweisen einer Führungskraft. Basierend auf dem Anforderungs- Ressourcen- Modell gehen wir davon aus, dass sich personale Ressourcen, die Mitarbeitende in der arbeitsfreien Zeit aufbauen, positiv auf den negativen Effekt zwischen destruktiver Führung und Mitarbeitergesundheit auswirken. Wir fokussieren hier die generalisierte Selbstwirksamkeitserwartung, die sich im Sinne der sozialkognitiven Theorie und zahlreichen empirischen Befunden als gesundheitsrelevante Ressource im
Umgang mit domänenübergreifenden Belastungen herausgestellt hat. Diese sollte durch Bewältigungserfahrung in der arbeitsfreien Zeit gefördert werden. Bewältigungserfahrung in der Freizeit bedeutet die Gelegenheit des Erlebens von Kompetenz und Fachwissen.
Methode:
Die Moderatoranalyse wurde im Rahmen einer Querschnittsbefragung einer anfallenden Stichprobe mit N = 305 Personen getestet. Die Variablen wurden mit der Abusive Supervision Scale (Tepper, 2000), dem REQ (Sonnentag & Fritz, 2007), und der Subskala emotionale Erschöpfung des MBI (Büssing & Perrar, 1992) gemessen.
Ergebnisse:
In dieser Studie zeigen „Mastery Experiences“ einen hypothesenkonformen Puffereffekt, nicht jedoch die anderen Erholungsstrategien, die auch mit getestet wurden. Es zeigt sich also die Tendenz, dass sich Mitarbeitende durch das Erlernen neuer Kompetenzen und den Aufbau von Selbstwirksamkeit vor den gesundheitsschädlichen Auswirkungen destruktiver Führung schützen können. Das
Korrelationsmuster deutet aber vrmtl. auch problematische Aspekte dieser Erholungsstrategie an.
Diskussion:
Limitierend muss erwähnt werden, dass wir die vermutete vermittelnde Variable Selbstwirksamkeit nicht explizit gemessen haben, und dass zukünftige Untersuchungen den Effekt in Form einer mediierten Moderation replizieren müssen.
An automated pipeline for comprehensive calculation of intermolecular interaction energies based on molecular force-fields using the Tinker molecular modelling package is presented. Starting with non-optimized chemically intuitive monomer structures, the pipeline allows the approximation of global minimum energy monomers and dimers, configuration sampling for various monomer-monomer distances, estimation of coordination numbers by molecular dynamics simulations, and the evaluation of differential pair interaction energies. The latter are used to derive Flory-Huggins parameters and isotropic particle-particle repulsions for Dissipative Particle Dynamics (DPD). The computational results for force fields MM3, MMFF94, OPLSAA and AMOEBA09 are analyzed with Density Functional Theory (DFT) calculations and DPD simulations for a mixture of the non-ionic polyoxyethylene alkyl ether surfactant C10E4 with water to demonstrate the usefulness of the approach.
Stereo Camera Setup for 360° Digital Image Correlation to Reveal Smart Structures of Hakea Fruits
(2024)
About forty years after its first application, digital image correlation (DIC) has become an established method for measuring surface displacements and deformations of objects under stress. To date, DIC has been used in a variety of in vitro and in vivo studies to biomechanically characterise biological samples in order to reveal biomimetic principles. However, when surfaces of samples strongly deform or twist, they cannot be thoroughly traced. To overcome this challenge, different DIC setups have been developed to provide additional sensor perspectives and, thus, capture larger parts of an object’s surface. Herein, we discuss current solutions for this multi-perspective DIC, and we present our own approach to a 360 DIC system based on a single stereo-camera setup. Using this setup, we are able to characterise the desiccation-driven opening mechanism of two woody Hakea fruits over their entire surfaces. Both the breaking mechanism and the actuation of the two valves in predominantly dead plant material are models for smart materials. Based on these results, an evaluation of the setup for 360 DIC regarding its use in deducing biomimetic principles is given. Furthermore, we propose a way to improve and apply the method for future measurements.
Dieser Leitfaden richtet sich in erster Linie an Studierende, die wissen wollen, wie sie ihre eigene digitale Identität souverän gestalten können. Aber er richtet sich auch an alle anderen, die schon immer wissen wollten, was eine digitale Identität beinhaltet und was man tun muss, um sie im eigenen Sinn zu gestalten und vor Missbrauch zu schützen. Wir sind fast alle täglich im Internet und in den sogenannten Social Media unterwegs. Wir nutzen diese digitale Welt, um etwas nachzuschlagen, uns mit Bekannten und Freunden zu treffen, potenziellen Arbeitgebern unsere Stärken zu präsentieren und vieles mehr. Wir werden aber auch von diesen Medien benutzt. Unsere Daten, die wir eingeben, sind ein wertvolles Gut und wir sollten sie nicht leichtfertig mit anderen teilen oder aus der Hand geben. All das wissen wir theoretisch, dennoch verhalten wir uns oft nicht so, wie es angemessen wäre. Aus Bequemlichkeit, aus Unwissenheit oder weil uns die Konsequenzen nicht wirklich klar oder zu abstrakt sind. Dieser Leitfaden soll daher zunächst einmal sensibilisieren, für die Gefahren, aber auch vor allem für die Möglichkeiten, die sich bei der Selbstpräsentation im World Wide Web ergeben können. Gegenstand des Leitfadens ist damit die bewusste Gestaltung der eigenen digitalen Identität. Themen, wie z. B. sichere Authentifizierung im Internet, werden nicht betrachtet.
Wir möchten euch daher einladen herauszufinden, wie ihr euch im Internet geeignet präsentieren, eine eigene digitale Identität kreieren und diese kontrollieren könnt. Dazu findet ihr im ersten Teil dieses Leitfadens Hintergrundinformationen zur digitalen Identität und im zweiten Teil geben wir euch Handlungsempfehlungen zur vorteilhaften Online-Selbstdarstellung.
An Augmented Multiphase Rail Launcher With a Modular Design: Extended Setup and Muzzle Fed Operation
(2024)
Der Beitrag zielt darauf ab, eine rechtssoziologische Verknüpfung zwischen Recht, Individuum, Gesellschaft und Ökonomie aufzuzeigen. Durch die Beleuchtung der Wechselwirkungen dieser Bereiche wird verdeutlicht, dass Biografien nicht isoliert betrachtet werden können, sondern stets im Kontext sozialer, wirtschaftlicher und rechtlicher Dynamiken stehen.
Inspired by the super-human performance of deep learning models in playing the game of Go after being presented with virtually unlimited training data, we looked into areas in chemistry where similar situations could be achieved. Encountering large amounts of training data in chemistry is still rare, so we turned to two areas where realistic training data can be fabricated in large quantities, namely a) the recognition of machine-readable structures from images of chemical diagrams and b) the conversion of IUPAC(-like) names into structures and vice versa. In this talk, we outline the challenges, technical implementation and results of this study.
Optical Chemical Structure Recognition (OCSR): Vast amounts of chemical information remain hidden in the primary literature and have yet to be curated into open-access databases. To automate the process of extracting chemical structures from scientific papers, we developed the DECIMER.ai project. This open-source platform provides an integrated solution for identifying, segmenting, and recognising chemical structure depictions in scientific literature. DECIMER.ai comprises three main components: DECIMER-Segmentation, which utilises a Mask-RCNN model to detect and segment images of chemical structure depictions; DECIMER-Image Classifier EfficientNet-based classification model identifies which images contain chemical structures and DECIMER-Image Transformer which acts as an OCSR engine which combines an encoder-decoder model to convert the segmented chemical structure images into machine-readable formats, like the SMILES string.
DECIMER.ai is data-driven, relying solely on the training data to make accurate predictions without hand-coded rules or assumptions. The latest model was trained with 127 million structures and 483 million depictions (4 different per structure) on Google TPU-V4 VMs
Name to Structure Conversion: The conversion of structures to IUPAC(-like) or systematic names has been solved algorithmically or rule-based in satisfying ways. This fact, on the other side, provided us with an opportunity to generate a name-structure training pair at a very large scale to train a proof-of-concept transformer network and evaluate its performance.
In this work, the largest model was trained using almost one billion SMILES strings. The Lexichem software utility from OpenEye was employed to generate the IUPAC names used in the training process. STOUT V2 was trained on Google TPU-V4 VMs. The model's accuracy was validated through one-to-one string matching, BLEU scores, and Tanimoto similarity calculations. To further verify the model's reliability, every IUPAC name generated by STOUT V2 was analysed for accuracy and retranslated using OPSIN, a widely used open-source software for converting IUPAC names to SMILES. This additional validation step confirmed the high fidelity of STOUT V2's translations.
Computational methods for the accurate prediction of protein folding based on amino acid sequences have been researched for decades. The field has been significantly advanced in recent years by deep learning-based approaches, like AlphaFold, RoseTTAFold, or ColabFold. Although these can be used by the scientific community in various, mostly free and open ways, they are not yet widely used by bench scientists in relevant fields such as protein biochemistry or molecular biology, who are often not familiar with software tools such as scripting notebooks, command-line interfaces or cloud computing. In addition, visual inspection functionalities like protein structure displays, structure alignments, and specific protein hotspot analyses are required as a second step to interpret and apply the predicted structures in ongoing research studies.
PySSA (Python rich client for visual protein Sequence to Structure Analysis) is an open Graphical User Interface (GUI) application combining the protein sequence to structure prediction capabilities of ColabFold with the open-source variant of the molecular structure visualisation and analysis system PyMOL to make both available to the scientific end-user. PySSA enables the creation of managed and shareable projects with defined protein structure prediction and corresponding alignment workflows that can be conveniently performed by scientists without specialised computer skills or programming knowledge on their local computers. Thus, PySSA can help make protein structure prediction more accessible for end-users in protein chemistry and molecular biology as well as be used for educational purposes. It is openly available on GitHub, alongside a custom graphical installer executable for the Windows operating system: https://github.com/urban233/PySSA/wiki/Installation-for-Windows-Operating-System.
To demonstrate the capabilities of PySSA, its usage in a protein mutation study on the protein drug Bone Morphogenetic Protein 2 (BMP2) is described: the structure prediction results indicate that the previously reported BMP2-2Hep-7M mutant, which is intended to be less prone to aggregation, does not exhibit significant spatial rearrangements of amino acid residues interacting with the receptor.
The DECIMER.ai Project
(2024)
Over the past few decades, the number of publications describing chemical structures and their metadata has increased significantly. Chemists have published the majority of this information as bitmap images along with other important information as human-readable text in printed literature and have never been retained and preserved in publicly available databases as machine-readable formats. Manually extracting such data from printed literature is error-prone, time-consuming, and tedious. The recognition and translation of images of chemical structures from printed literature into machine-readable format is known as Optical Chemical Structure Recognition (OCSR). In recent years, deep-learning-based OCSR tools have become increasingly popular. While many of these tools claim to be highly accurate, they are either unavailable to the public or proprietary. Meanwhile, the available open-source tools are significantly time-consuming to set up. Furthermore, none of these offers an end-to-end workflow capable of detecting chemical structures, segmenting them, classifying them, and translating them into machine-readable formats.
To address this issue, we present the DECIMER.ai project, an open-source platform that provides an integrated solution for identifying, segmenting, and recognizing chemical structure depictions within the scientific literature. DECIMER.ai comprises three main components: DECIMER-Segmentation, which utilizes a Mask-RCNN model to detect and segment images of chemical structure depictions; DECIMER-Image Classifier EfficientNet-based classification model identifies which images contain chemical structures and DECIMER-Image Transformer which acts as an OCSR engine which combines an encoder-decoder model to convert the segmented chemical structure images into machine-readable formats, like the SMILES string.
A key strength of DECIMER.ai is that its algorithms are data-driven, relying solely on the training data to make accurate predictions without any hand-coded rules or assumptions. By offering this comprehensive, open-source, and transparent pipeline, DECIMER.ai enables automated extraction and representation of chemical data from unstructured publications, facilitating applications in chemoinformatics and drug discovery.
Unsupervised physics-informed deep learning can be used to solve computational physics problems by training neural networks to satisfy the underlying equations and boundary conditions without labeled data. Parameters such as network architecture and training method determine the training success. However, the best choice is unknown a priori as it is case specific. Here, we investigated network shapes, sizes, and types for unsupervised physics-informed deep learning of the two-dimensional Reynolds averaged flow around cylinders. We trained mixed-variable networks and compared them to traditional models. Several network architectures with different shape factors and sizes were evaluated. The models were trained to solve the Reynolds averaged Navier-Stokes equations incorporating Prandtl’s mixing length turbulence model. No training data were deployed to train the models. The superiority of the mixed-variable approach was confirmed for the investigated high Reynolds number flow. The mixed-variable models were sensitive to the network shape. For the two cylinders, differently deep networks showed superior performance. The best fitting models were able to capture important flow phenomena such as stagnation regions, boundary layers, flow separation, and recirculation. We also encountered difficulties when predicting high Reynolds number flows without training data.
Advancements in hand-drawn chemical structure recognition through an enhanced DECIMER architecture
(2024)
Accurate recognition of hand-drawn chemical structures is crucial for digitising hand-written chemical information in traditional laboratory notebooks or facilitating stylus-based structure entry on tablets or smartphones. However, the inherent variability in hand-drawn structures poses challenges for existing Optical Chemical Structure Recognition (OCSR) software. To address this, we present an enhanced Deep lEarning for Chemical ImagE Recognition (DECIMER) architecture that leverages a combination of Convolutional Neural Networks (CNNs) and Transformers to improve the recognition of hand-drawn chemical structures. The model incorporates an EfficientNetV2 CNN encoder that extracts features from hand-drawn images, followed by a Transformer decoder that converts the extracted features into Simplified Molecular Input Line Entry System (SMILES) strings. Our models were trained using synthetic hand-drawn images generated by RanDepict, a tool for depicting chemical structures with different style elements. A benchmark was performed using a real-world dataset of hand-drawn chemical structures to evaluate the model's performance. The results indicate that our improved DECIMER architecture exhibits a significantly enhanced recognition accuracy compared to other approaches.
Advancements in Hand-Drawn Chemical Structure Recognition through an Enhanced DECIMER Architecture
(2024)
Accurate recognition of hand-drawn chemical structures is crucial for digitising hand-written chemical information found in traditional laboratory notebooks or for facilitating stylus-based structure entry on tablets or smartphones. However, the inherent variability in hand-drawn structures poses challenges for existing Optical Chemical Structure Recognition (OCSR) software. To address this, we present an enhanced Deep lEarning for Chemical ImagE Recognition (DECIMER) architecture that leverages a combination of Convolutional Neural Networks (CNNs) and Transformers to improve the recognition of hand-drawn chemical structures. The model incorporates an EfficientNetV2 CNN encoder that extracts features from hand-drawn images, followed by a Transformer decoder that converts the extracted features into Simplified Molecular Input Line Entry System (SMILES) strings. Our models were trained using synthetic hand-drawn images generated by RanDepict, a tool for depicting chemical structures with different style elements. To evaluate the model's performance, a benchmark was performed using a real-world dataset of hand-drawn chemical structures. The results indicate that our improved DECIMER architecture exhibits a significantly enhanced recognition accuracy compared to other approaches.
An automated pipeline for comprehensive calculation of intermolecular interaction energies based on molecular force-fields using the Tinker molecular modelling package is presented. Starting with non-optimized chemically intuitive monomer structures, the pipeline allows the approximation of global minimum energy monomers and dimers, configuration sampling for various monomer-monomer distances, estimation of coordination numbers by molecular dynamics simulations, and the evaluation of differential pair interaction energies. The latter are used to derive Flory-Huggins parameters and isotropic particle-particle repulsions for Dissipative Particle Dynamics (DPD). The computational results for force fields MM3, MMFF94, OPLS-AA and AMOEBA09 are analyzed with Density Functional Theory (DFT) calculations and DPD simulations for a mixture of the non-ionic polyoxyethylene alkyl ether surfactant C10E4 with water to demonstrate the usefulness of the approach.
From https://github.com/zielesny/Jdpd:
Jdpd - An open Java Simulation Kernel for Molecular Fragment Dissipative Particle Dynamics (DPD)
Jdpd is an open Java simulation kernel for Molecular Fragment Dissipative Particle Dynamics (DPD) with parallelizable force calculation, efficient caching options and fast property calculations. It is characterized by an interface and factory-pattern driven design for simple code changes and may help to avoid problems of polyglot programming. Detailed input/output communication, parallelization and process control as well as internal logging capabilities for debugging purposes are supported. The kernel may be utilized in different simulation environments ranging from flexible scripting solutions up to fully integrated “all-in-one” simulation systems like MFsim.
Since Jdpd version 1.6.1.0 Jdpd is available in a (basic) double-precision version and a (derived) single-precision version (= JdpdSP) for all numerical calculations, where the single precision version needs about half the memory of the double precision version.
Jdpd uses the Apache Commons Math and Apache Commons RNG libraries and is published as open source under the GNU General Public License version 3. This repository comprises the Java bytecode libraries (including the Apache Commons Math and RNG libraries), the Javadoc HTML documentation and the Netbeans source code packages including Unit tests.
Jdpd has been described in the scientific literature (the final manuscript 2018 - van den Broek - Jdpd - Final Manucsript.pdf is added to the repository) and used for DPD studies (see references below).
See text file JdpdVersionHistory.txt for a version history with more detailed information.
From https://github.com/zielesny/MFsim:
MFsim - An open Java all-in-one rich-client simulation environment for mesoscopic simulation
MFsim is an open Java all-in-one rich-client computing environment for mesoscopic simulation with Jdpd as its default simulation kernel for Molecular Fragment Dissipative Particle Dynamics (DPD). The environment integrates and supports the complete preparation-simulation-evaluation triad of a mesoscopic simulation task. Productive highlights are a SPICES molecular structure editor, a PDB-to-SPICES parser for particle-based peptide/protein representations, a support of polymer definitions, a compartment editor for complex simulation box start configurations, interactive and flexible simulation box views including analytics, simulation movie generation or animated diagrams. As an open project, MFsim enables customized extensions for different fields of research.
MFsim uses several open libraries (see MFSimVersionHistory.txt for details and references below) and is published as open source under the GNU General Public License version 3 (see LICENSE).
MFsim has been described in the scientific literature and used for DPD studies (see references below).
Durch den digitalen Wandel haben Kommunen neue Entwicklungsmöglichkeiten im Bereich der Smart City. Diese Arbeit stellt eine Übersicht darüber dar, wie mithilfe von IoT, Big Data, Datenbanken, Digitalen Zwillingen und weiteren Technologien, eine Mikroklima-Analyse und Steuerung ermöglicht werden kann.
Developing and implementing computational algorithms for the extraction of specific substructures from molecular graphs (in silico molecule fragmentation) is an iterative process. It involves repeated sequences of implementing a rule set, applying it to relevant structural data, checking the results, and adjusting the rules. This requires a computational workflow with data import, fragmentation algorithm integration, and result visualisation. The described workflow is normally unavailable for a new algorithm and must be set up individually. This work presents an open Java rich client Graphical User Interface (GUI) application to support the development of new in silico molecule fragmentation algorithms and make them readily available upon release. The MORTAR (MOlecule fRagmenTAtion fRamework) application visualises fragmentation results of a set of molecules in various ways and provides basic analysis features. Fragmentation algorithms can be integrated and developed within MORTAR by using a specific wrapper class. In addition, fragmentation pipelines with any combination of the available fragmentation methods can be executed. Upon release, three fragmentation algorithms are already integrated: ErtlFunctionalGroupsFinder, Sugar Removal Utility, and Scaffold Generator. These algorithms, as well as all cheminformatics functionalities in MORTAR, are implemented based on the Chemistry Development Kit (CDK).
The influence of molecular fragmentation and parameter settings on a mesoscopic dissipative particle dynamics (DPD) simulation of lamellar bilayer formation for a C10E4/water mixture is studied. A “bottom-up” decomposition of C10E4 into the smallest fragment molecules (particles) that satisfy chemical intuition leads to convincing simulation results which agree with experimental findings for bilayer formation and thickness. For integration of the equations of motion Shardlow’s S1 scheme proves to be a favorable choice with best overall performance. Increasing the integration time steps above the common setting of 0.04 DPD units leads to increasingly unphysical temperature drifts, but also to increasingly rapid formation of bilayer superstructures without significantly distorted particle distributions up to an integration time step of 0.12. A scaling of the mutual particle–particle repulsions that guide the dynamics has negligible influence within a considerable range of values but exhibits apparent lower thresholds beyond which a simulation fails. Repulsion parameter scaling and molecular particle decomposition show a mutual dependence. For mapping of concentrations to molecule numbers in the simulation box particle volume scaling should be taken into account. A repulsion parameter morphing investigation suggests to not overstretch repulsion parameter accuracy considerations.
Recent years have seen a sharp increase in the development of deep learning and artificial intelligence-based molecular informatics. There has been a growing interest in applying deep learning to several subfields, including the digital transformation of synthetic chemistry, extraction of chemical information from the scientific literature, and AI in natural product-based drug discovery. The application of AI to molecular informatics is still constrained by the fact that most of the data used for training and testing deep learning models are not available as FAIR and open data. As open science practices continue to grow in popularity, initiatives which support FAIR and open data as well as open-source software have emerged. It is becoming increasingly important for researchers in the field of molecular informatics to embrace open science and to submit data and software in open repositories. With the advent of open-source deep learning frameworks and cloud computing platforms, academic researchers are now able to deploy and test their own deep learning models with ease. With the development of new and faster hardware for deep learning and the increasing number of initiatives towards digital research data management infrastructures, as well as a culture promoting open data, open source, and open science, AI-driven molecular informatics will continue to grow. This review examines the current state of open data and open algorithms in molecular informatics, as well as ways in which they could be improved in future.
Die verholzten Früchte der Art Hakea salicifolia öffnen sich bei Austrocknung, um Samen freizugeben. Der Öffnungsmechanismus könnte als Vorbild für selbstaktuierte Bewegungen von Bauteilen dienen. Um ihn zu verstehen, wird aus µCT-Scans einer getrockneten Frucht ein 3D-Modell generiert und additiv gefertigt, welches nur zwei Gewebetypen, nämlich Leitbündel und umgebendes Gewebe berücksichtigt. Druckprüfungen dieser Prüfkörper zeigen einen anisotropen E-Modul, der auf die Struktur der Leitbündel und den großen E-Modulunterschied der gewählten Materialien zurückzuführen ist. Die erhaltenen Daten sollen zur Verifikation eines FE-Modells herangezogen und dieses an das natürliche Vorbild angepasst werden, um die Öffnung der Früchte nachzuvollziehen.
The disruptive nature of the changing media landscape and technology-driven advances in communication have led to innovative ways of organizing work in the information and communication industry. This reorganization of work is reflected in the concept of New Work, which rethinks working concepts, styles, and employee behavior. Based on a survey among staff in the information and communication industry (n = 380), this study investigates the status quo of the implementation of New Work measures and their effectiveness in helping companies reach organizational goals. The results show that New Work measures are widely adopted although there is still unused potential. Moreover, the study demonstrates that the implementation of New Work measures supports companies in achieving New Work goals as well as overall organizational goals in the contexts of agile management, change management, internal communication, and evaluation.
Hakea sericea und H. salicifolia sind strauch- bis baumförmige Arten der Familie Proteaceae. Ursprünglich aus Australien stammend, breiten sie sich zunehmend in Neuseeland, Portugal, Südspanien und Südafrika invasiv aus. In Portugal wurden beide Arten als Ziergewächs, Windschutz und Heckenpflanze eingeführt und verdrängen nun heimische Arten. Die erfolgreiche Etablierung der beiden Arten hängt mit der Ausbreitungsbiologie zusammen. Die Balgfrüchte zeigen eine ausgeprägte Serotinie und verbleiben oft über Jahre an der Mutterpflanze. Erst durch Waldbrände oder starke Austrocknung öffnen sich die Früchte und geben dabei zwei geflügelte Samen frei. Während der Öffnung deformieren sich die beiden Fruchthälften stark und reißen dabei zunächst über die Bauchnaht und anschließend über die Rückenseite auf. Dieses Öffnungsverhalten ist innerhalb der Proteaceae nur für die Gattung Hakea beschrieben und für Balgfrüchte, zu denen sie dennoch gezählt werden, ungewöhnlich. Die Bruchoberflächen der verschiedenen Gewebe zeigen dabei unterschiedliche Rauigkeiten. Die Gewebe der abaxialen Seite (Rückenseite) reißen dabei mit einer glatteren Bruchfläche als die Gewebe der adaxialen Seite (Bauchseite). In dieser Arbeit werden Rauheitsparameter der Bruchoberflächen auf zufälligen Profillinien mit einem Konfokalmikroskop für die verschiedene Gewebe der Oberflächen ermittelt. Das Propagieren des Risses durch die verschiedenen Gewebe wird anhand der Ausrichtung und Lage der Zellen in den beiden Seiten der Fruchthälften erläutert. Es wird diskutiert, inwieweit sich die unterschiedlich rauen Bruchoberflächen auf die Öffnung und die dafür nötigen Kräfte auswirken. Erste Ansätze zur Optimierung von technischen Sollbruchstellen werden vorgeschlagen.
Biomechanische Untersuchungen zum Öffnungsmechanismus von verholzten Früchten der Gattung Hakea
(2023)
Die Arten H. sericea und H. salicifolia (Proteaceae) sind in Australien heimisch. Ihr natürlicher Lebensraum ist trocken und nährstoffarm, und sie sind regelmäßig Buschbränden ausgesetzt. Durch den Feuchtigkeitsverlust “schrumpft“ die Frucht und öffnet sich, wobei zwei Samen freigesetzt werden. Diese Arbeit vergleicht das Öffnungsverhalten von manipulierten Früchten, das Schwindmaß, die Öffnungskraft, den Elastizitätsmodul und die Druckfestigkeit der beiden Arten und untersucht den Einfluss verschiedener Gewebe auf die Öffnung. Es wird festgestellt, dass das Mesokarp hauptsächlich für das anisotrope Schwindverhalten verantwortlich ist.
The German supply chain law ( Lieferkettensorgfaltspflichtengesetz, abbreviated: LkSG) which enters into force on 1 January 2023 is part of the developing legal framework for human rights in global supply chains. Like the French vigilance law, it represents a new generation of supply chain laws which impose mandatory human rights due diligence obligations. The LkSG requires enterprises to exercise a number of due diligence obligations – from conducting risk analysis to undertaking preventive measures or remedial actions. The law is based on public enforcement via a competent authority, the Federal Office for Economic Affairs and Export Control (BAFA). The BAFA monitors and enforces compliance with the due diligence obligations. Non-compliant enterprises can be fined with up to 800,000 Euros and, in some cases, up to 2% of the annual turnover. Whilst the LkSG is an important step towards achieving greater corporate sustainability, it also has limitations. It was a political compromise and, as such, it does not include a new civil liability for non-compliance. Moreover, by default, it only applies to the enterprise’s own business area and its direct suppliers, whereas indirect suppliers are only included where the enterprise has substantiated knowledge that an obligation has been violated.
This chapter is a commentary on Principle 20 of the United Nations Guiding Principles on Business and Human Rights (UNGPs). The UNGPs, endorsed by the United Nations Human Rights Council in 2011, are the first universally accepted framework for addressing business responsibilities for human rights. They outline State obligations to protect human rights, businesses’ responsibility to respect human rights, and the importance of both States and businesses offering adequate remedies for human rights breaches.
This chapter is a commentary on Principle 21 of the United Nations Guiding Principles on Business and Human Rights (UNGPs). The UNGPs, endorsed by the United Nations Human Rights Council in 2011, are the first universally accepted framework for addressing business responsibilities for human rights. They outline State obligations to protect human rights, businesses’ responsibility to respect human rights, and the importance of both States and businesses offering adequate remedies for human rights breaches.
Dephasing in quantum systems is typically the result of their interaction with environmental degrees of freedom. We investigate within a spin-boson model the influence of a super-Ohmic environment on the dynamics of a quantum two-state system. A super-Ohmic environment thereby models typical bulk phonons which are a common disturbance for solid state quantum systems as, for example, nitrogen-vacancy centers. By applying the numerically exact quasiadiabatic path-integral approach we show that for strong system-bath coupling, pseudocoherent dynamics emerges, i.e., oscillatory dynamics at short times due to slaving of the quantum system to the bath dynamics. We extend the phase diagram known for sub-Ohmic and Ohmic environments into the super-Ohmic regime and observe a pronounced nonmonotonous behavior. Super-Ohmic purely dephasing fluctuations strongly suppress the amplitude of coherent dynamics at very short times with no subsequent further decay at later times. Nevertheless, they render the dynamics overdamped. The corresponding phase separation line shows also a nonmonotonous behavior, very similar to the pseudocoherent dynamics.
We propose a quantum-mechanical model to calculate the current through a single molecular junction immersed in a solvent and surrounded by a thin shell of bound water under an applied ac voltage. The solvent plus hydration shell are captured by a dielectric continuum model for which the resulting spectral density is determined. Here the dielectric properties, e.g., the Debye relaxation time and the dielectric constant, of the bulk solvent and the hydration shell as well as the shell thickness directly enter. We determine the charge current through the molecular junction under an ac voltage in the sequential tunneling regime where we solve a quantum master equation by a real-time diagrammatic technique. Interestingly, the Fourier components of the charge current show an exponential-like decline when the hydration shell thickness increases. Finally, we apply our findings to binary solvent mixtures with varying volume fractions and find that the current is highly sensitive to both the hydration shell thickness as well as the volume fraction of the solvent mixture, giving rise to possible applications as shell and concentration sensors on the molecular scale.
Article 134 TFEU
(2023)
Article 135 TFEU
(2023)
Design and Development of a Bioreactor System for Mechanical Stimulation of Musculoskeletal Tissue
(2023)
We report on the development of a bioreactor system for mechanical stimulation of musculoskeletal tissues. The ultimate object is to improve the quality of medical treatment following injuries of the enthesis tissue. To this end, the tissue formation process through the effect of mechanical stimulation is investigated. A six-well system was designed, 3D printed and tested. An integrated actuator creates strain by applying a force. A contactless position sensor monitors the travels. An electronic circuit controls the bioreactor using a microcontroller. An IoT platform connects the microcontroller to a smartphone, enabling the user to alter variables, trigger actions and monitor the system. The system was stabilised by implementing two PID controllers and safety measures. The results show that the bioreactor design is suited to execute mechanical stimulation and to investigate the tissue formation and regeneration process …
Nachhaltigkeitsberichterstattung verfolgt die Ziele, über die Nachhaltigkeitsleistungen eines Unternehmens zu berichten, diese bewertbar zu machen und im Sinne eines Regelkreisgedankens des Controllings zu steuern. Im Zuge dieser Studie wurden vorwiegend kleine und mittlere Unternehmen aus dem westlichen Münsterland zum aktuellen Stand ihrer Nachhaltigkeitsberichterstattung befragt. Dabei wurden sowohl die auf die Unternehmen eingehenden ESG-Anforderungen, etwaig genutzte Rahmenwerke der Berichterstattung, die innerbetriebliche Organisation des Nachhaltigkeitsmanagements und die Erwartungen der Unternehmen betrachtet.
Mikrostrukturen auf Oberflächen bestimmen häufig deren physikalische Eigenschaften. Die üblichen Methoden zur Herstellung von mikrostrukturierten Oberflächen wie Fotolithografie sind aber teuer und aufwändig. Daher wird schon lange die schnelle und günstige Methode der Abformung genutzt, um Gegenstände mit Mikrostrukturen herzustellen
[1,2]. Zur Nutzung als Positiv für die Abformung können Oberflächen zum Beispiel mit Fotolithografie hergestellt werden, oder es können mikrostrukturierte Objekte aus der Natur verwenden werden. Mittels Fotolithografie können aber keine gewölbten Oberflächen mit Mikrostrukturen versehen werden und mikrostrukturierte Oberflächen aus der Natur sind meist eher klein. In dieser Arbeit wurde daher nach sehr kleinen mikrostrukturierten Objekten gesucht, die nebeneinander auf eine (auch gewölbte) Oberfläche aufgebracht werden können, um diese anschließend abzuformen. Die besten Resultate ergaben mit Bärlappsporen beschichtete Oberflächen als Positive. Replikate dieser Oberflächen zeigen einen um 30° höheren Kontaktwinkel als das unstrukturierte Material.
Dem Thema Nachhaltigkeit kommt zunehmend eine größere Bedeutung zu. Dies liegt nicht zuletzt daran, dass die Pflicht, einen Nachhaltigkeitsbericht zu erstellen, mit dem Jahr 2024 auch auf viele kleine und mittlere Unternehmen ausgeweitet wird. Bislang trifft dies überwiegend auf große Unternehmen zu, welche in der Regel strukturell und hinsichtlich Software sehr gut für die Bewältigung dieser Aufgabe aufgestellt sind. Anders verhält es sich jedoch bei KMU, denn in diesen fehlen meist personelle und finanzielle Ressourcen sowie geeignete softwaretechnische Unterstützungswerkzeuge. In diesem Beitrag werden die Ergebnisse einer Studie der Westfälischen Hochschule vorgestellt, die sich auf das Nachhaltigkeitsreporting von KMU fokussiert. Darüber hinaus werden Herausforderungen aus Informationssicht erläutert und mögliche Unterstützungsbedarfe für KMU diskutiert. Ein Überblick über zukünftige Ansatzpunkte und eine abschließende Diskussion runden den Artikel ab.
Problem
- How to effectively use aerial robots to support rescue forces?
- How to achieve good flight characteristics and long flight times?
- How to enable simple and intuitive control?
- How to efficiently record image data of the environment?
- How to generate flight and image data for rescue forces?
Implementation:
The flying robot was designed in Autodesk Fusion360. In order to achieve high stability as well as low weight, the frame was milled from carbon. Mounts such as for GPS and 360° camera were 3D printed. A special feature is that the flying robot is not visible in the panoramic view of the 360° camera. The flight controller of the robot was set up using Ardupilot. The communication with the robot is done via MAVLink (UDP).To support different platforms, a software was realized as a web application. The front end was created using HTML, CSS and Javascript.
The back end is based on Flask-Socket-IO (Python). For the intelligent recognition of motor vehicles a micro controller with an integrated camera is used. For the post-processing of flight and video data a pipeline was implemented for automation.
The video shows a very high resolution 3D point cloud !!! of the outdoor area of the German Rescue Robotics Center. For the recording, a 25-second POI flight was performed with a Mavic 3. From the 4K video footage captured during this flight, 77 images were cropped and localized within 4 minutes using colmap and processed using Neural Radiance Fields (NeRF). The nerfacto model of Nerfstudio was trained on an Nvidia RTX 4090 for 8 minutes. In summary, a top 3D model is available to task forces after about 13 minutes. The calculation is performed locally on site by the RobLW of the DRZ. The video shown here shows a free camera path rendered at 60 hz (Full HD).
In this paper, we investigate the influence of different disease groups on the size of different 1 anatomical structures. To this end, we first modify and improve an existing anatomical segmentation 2 model. Then, we use this model to segment 104 anatomical structures from computed tomography 3 (CT) scans and compute their volumes from the segmentation. After correlating the results with each 4 other, we find no new significant correlations. After correlating the volume data with known diseases 5 for each case, we find two weak correlations, one of which has not been described before and for 6 which we present a possible explanation.
Nerf(acto) for the 3D modeling of the Computer Science building of Westfälische Hochschule GE
(2023)
The video shows a very high resolution 3D point cloud !!! of the computer science building of the University of Applied Science Gelsenkirchen. For the recording a 3 minute flight with a M30T was performed. The 105 images taken by the wide-angle camera during this flight were localized within 3 minutes using colmap and processed using Neural Radiance Fields (NeRF). The nerfacto model of Nerfstudio was trained on an Nvidia RTX 4090 for 8 minutes. Thus, a top 3D model is available after about 15 minutes.
The video shown here shows a free camera path rendered at 60 hz (Full HD).
From the 360° images of the former video (
• German rescue robotic center captured... ) we now generate the 3D point cloud. The UAV needs 3 minutes to capture the outdoor scenario and the hall from inside and outside. The 3D point cloud generation is 5x slower than the video. It uses a VSLAM algorithm to localize the k-frames (green) and with 3 k-frames it use a 360° PatchMatch algorithm implemented at a NVIDIA graphic card (CUDA) to calculated the dense point clouds.The hall ist about 70 x 20 meters.
The video shows the first test of a small spherical UAV (35 cm) with 4 rotors for missions in complex environments such as buildings, caves or tunnels. The spherical design protects the vehicle's internal components and allows the UAV to roll over the ground when the environment allows. The drone can land and take off in any position and come into contact with objects without endangering the propellers and can restart even after crashes.
Sperical UAV: Crash Test with 1/2 liter bottle from 2 meters
Gaussian Splatting: 3D Reconstruction of a Chemical Company After a Tank Explosion in Kempen 8/2023
(2023)
The video showcases a 3D model of a chemical company following a tank explosion that occurred on August 17, 2023, in Kempen computed with the gaussian splatting algorithm. Captured by a compact mini drone measuring 18cm x 18cm and equipped with a 360° camera, these images offer an intricate perspective of the aftermath. The computation need 29 minutes and uses 2770 images (~350 equirectangular images). After a comprehensive aerial survey and inspection of the 360° images taken within the facility, authorities confirmed that it was safe for the evacuated residents to return to their homes. See also:
https://www1.wdr.de/fernsehen/aktuelle-stunde/alle-videos/video-grosser-chemieunfall-in-kempen-100.html
The video showcases a 3D model of a chemical company following a tank explosion that occurred on August 17, 2023, in Kempen computed with the AI algorithm Neural Radiance Field (NeRF). Captured by a compact mini drone measuring 18cm x 18cm and equipped with a 360° camera, these images offer an intricate perspective of the aftermath. After a comprehensive aerial survey and inspection of the 360° images taken within the facility, authorities confirmed that it was safe for the evacuated residents to return to their homes. See also:
https://www1.wdr.de/fernsehen/aktuelle-stunde/alle-videos/video-grosser-chemieunfall-in-kempen-100.html
ARGUS is a tool for the systematic acquisition, documentation and evaluation of drone flights in rescue operations. In addition to the very fast generation of RGB and IR orthophotos, a trained AI can automatically detect fire, people and cars in the images captured by the drones. The video gives a short introduction to the Aerial Rescue and Geospatial Utility System -- ARGUS
Check out our Github repository under
https://github.com/RoblabWh/argus/
You can find the dataset on kaggle under
https://www.kaggle.com/datasets/julienmeine/rescue-object-detection
This video features a flight test conducted in our robotics lab, showcasing a custom-built thermal camera drone. We've enhanced a DJI Avata with a specialized thermal camera system. With its compact dimensions measuring 18 x 18 x 17 cm, this drone is designed to navigate and provide critical thermal information within post-fire or post-explosion environments. For more insights, be sure to check out our previous videos on this channel.
Desert ants Cataglyphis spec. monitor inclination and distance covered through force-based sensing in their legs. To transfer this mechanism to legged robots, artificial neural networks are used to determine the inclination angle of an experimental ramp from the motor data of the legs of a commercial hexapod walking robot. It is possible to determine the inclination angle of the ramp based on the motor data of the robot legs read out during a run. The result is independent of the weight and orientation of the robot on the ramp and hence robust enough to serve as an independent odometer.
In the realm of digital situational awareness during disaster situations, accurate digital representations,
like 3D models, play an indispensable role. To ensure the
safety of rescue teams, robotic platforms are often deployed
to generate these models. In this paper, we introduce an
innovative approach that synergizes the capabilities of compact Unmaned Arial Vehicles (UAVs), smaller than 30 cm, equipped with 360° cameras and the advances of Neural Radiance Fields (NeRFs). A NeRF, a specialized neural network, can deduce a 3D representation of any scene using 2D images and then synthesize it from various angles upon request. This method is especially tailored for urban environments which have experienced significant destruction, where the structural integrity of buildings is compromised to the point of barring entry—commonly observed post-earthquakes and after severe fires. We have tested our approach through recent post-fire scenario, underlining the efficacy of NeRFs even in challenging outdoor environments characterized by water, snow, varying light conditions, and reflective surfaces.
360° and IR- Camera Drone Flight Test: Superimposition of two data sources for Post-Fire Inspection
(2023)
This video highlights a recent flight test carried out in our cutting-edge robotics lab, unveiling the capabilities of our meticulously crafted thermal and 360° camera drone! We've ingeniously upgraded a DJI Avata with a bespoke thermal and 360° camera system. Compact yet powerful, measuring just 18 x 18 x 17 cm, this drone is strategically engineered to effortlessly navigate and deliver crucial thermal and 360° insights concurrently in post-fire or post-explosion environments.
The integration of a specialized thermal and 360° camera system enables the simultaneous capture of both data sources during a single flight. This groundbreaking approach not only reduces inspection time by half but also facilitates the seamless superimposition of thermal and 360° videos for comprehensive analysis and interpretation.
At the integration sprint of the E-DRZ consortium in march 2023 we improve the information captured by the human spotter (of the fire brigade) by extending him through a 360° drone i.e. the DJI Avata with an Insta360 on top of it. The UAV needs 3 minutes to capture the outdoor scenario and the hall from inside and outside. The hall ist about 70 x 20 meters. When the drone is landed we have all information in 360° degree at 5.7k as you can see it in the video. Furthermore it is a perfect documentation of the deployment scenario. In the next video we will show how to spatial localize the 360° video and how to generate a 3D point cloud from it.
Problem: A group of robots, called a swarm, is placed in an unknown environment and is supposed to explore it independently. The goal of the exploration is the creation of a common map.
Implementation
- Equipping six Kobuki robots with appropriate sensor technology, a large battery, a router and the Jetson board
- Setup of the Jetson-Boards with self-made ROS2 nodes and the set up mesh network
- Writing of launch files for the common start of all functions
- Reinforcement learning is used to train an AI that controls the swarm by selecting points for the robots to approach and navigating to them and navigating them there.
- Setting up a responsive website using Angular and the Bootstrap
Framework.
At the integration sprint of the E-DRZ consortium in march 2023 we improve the information captured by the human spotter (of the fire brigade) by extending him through a 360° drone. The UAV needs 3 minutes to capture the outdoor scenario and the hall from inside and outside. The hall ist about 70 x 20 meters. When the drone is landed we have all information in 360° degree at 5.7k as you can see it in the video. Furthermore it is a perfect documentation of the deployment scenario. In the next video we will show how to spatial localize the 360° video and how to generate a 3D point cloud from it.
In this paper, we present a method for detecting objects of interest, including cars, humans, and fire, in aerial images captured by unmanned aerial vehicles (UAVs) usually during vegetation fires. To achieve this, we use artificial neural networks and create a dataset for supervised learning. We accomplish the assisted labeling of the dataset through the implementation of an object detection pipeline that combines classic image processing techniques with pretrained neural networks. In addition, we develop a data augmentation pipeline to augment the dataset with utomatically labeled images. Finally, we evaluate the performance of different neural networks.
The dataset is used for 3D environment modeling, i.e. for the generation of dense 3D point clouds and 3D models with PatchMatch algorithm and neural networks. Difficult for the modeling algorithm are the reflections of rain, water and snow, as well as windows and vehicle surface. In addition, lighting conditions are constantly changing.