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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.
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.
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.
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.
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.
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.
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.
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 …
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.
Sowohl im Online-, aber auch im stationären Handel sind schon etliche innovative immersive Anwendungen entstanden, die neue kognitive und affektive Interaktions- und Informationsmöglichkeiten bieten. In den Bereichen Kunst, Immobilien, Architektur, Gaming, Fashion, Stadtplanung und -führungen finden sich ebenfalls mehr und mehr AR/VR Anwendungen. In diesem Beitrag wird nach einer Sichtung ausgewählter immersiver Projekte ein Konzept zur Nutzung von AR bzw. VR für Leerstände in einer ehemals attraktiven Einkaufsmeile in Gelsenkirchen vorgestellt.
The number of publications describing chemical structures has increased steadily over the last decades. However, the majority of published chemical information is currently not available in machine-readable form in public databases. It remains a challenge to automate the process of information extraction in a way that requires less manual intervention - especially the mining of chemical structure depictions. As an open-source platform that leverages recent advancements in deep learning, computer vision, and natural language processing, DECIMER.ai (Deep lEarning for Chemical IMagE Recognition) strives to automatically segment, classify, and translate chemical structure depictions from the printed literature. The segmentation and classification tools are the only openly available packages of their kind, and the optical chemical structure recognition (OCSR) core application yields outstanding performance on all benchmark datasets. The source code, the trained models and the datasets developed in this work have been published under permissive licences. An instance of the DECIMER web application is available at https://decimer.ai.
Die Beschaffung von IT-Sicherheitslösungen ist für Unternehmen oft eine Herausforderung. So führt die Komplexität der Systeme dazu, dass die für eine Kaufentscheidung erforderlichen Kompetenzen und Informationen nicht immer vorhanden sind. Grundvoraussetzung für eine erfolgreiche Geschäftsbeziehung ist deswegen ein valides Vertrauensverhältnis zwischen Anwender- und Herstellerunternehmen. Das setzt jedoch voraus, dass die Herstellerunternehmen vertrauenswürdig auftreten und im Interesse ihrer Kunden handeln. Eine Studie der Westfälischen Hochschule Gelsenkirchen hat untersucht, welche Vertrauenskriterien Kunden bei Herstellern und deren Produkten wichtig sind. So ist zum Beispiel ein Hersteller bei den Kunden unten durch, wenn er zu viele Buzzwords nutzt.
Wie Datenräume helfen, neue Geschäftsmodelle zu entwickeln : sicher, vertrauenswürdig und dezentral
(2023)
In der heutigen Zeit werden sehr große Datenmengen generiert und verwaltet, dennoch wird der Wert der Daten in Deutschland und Europa noch nicht voll ausgeschöpft. Die gemeinsame Nutzung von Daten kann und soll datengetriebene Anwendungen noch weiter vorantreiben, bei der Erfüllung regulatorischer Anforderungen helfen sowie einen finanziellen Mehrwert für Firmen schaffen. Viele kleine bis mittelständische Unternehmen zögern derzeit jedoch, Daten untereinander auszutauschen, weil sie befürchten, die Hoheit über ihre Daten zu verlieren und nicht wissen, wer Zugriff auf die Daten hat und wofür die Daten verwendet werden.
Künstliche Intelligenz (KI) ermöglicht es, komplexe Zusammenhänge und Muster aus großen Datenmengen zu extrahieren und in einem statistischen Modell zu erfassen. Dieses KI-Modell kann anschließend Aussagen über zukünftig auftretende Daten treffen. Mit dem zunehmenden Einsatz von Künstlicher Intelligenz rücken solche Systeme auch immer mehr ins Visier von Cyberkriminellen. Der Artikel beschreibt umfassend Angriffsszenarien und mögliche Abwehrmaßnahmen.
Vor vier Jahren betrat die Datenschutz-Grundverordnung (DS-GVO) die Bühne und brachte für Unternehmen und Nutzer gleichermaßen Veränderungen mit sich. Doch gerade im dynamischen Umfeld des Online-Marketings tauchen ständig neue und oft knifflige Fragen auf – Fragen, die nun im Rahmen einer wissenschaftlichen Studie etwas genauer unter die Lupe genommen wurden.
Viele Unternehmen beginnen damit, Standards "wild" umzusetzen oder verschiedene Sicherheitsprodukte zu kaufen. Cybersicherheit muss aber auf einem soliden Fundament stehen. Dazu sollten die Verantwortlichen die eigenen Organisationsstrukturen kennen und die drei Schlüsselfaktoren Menschen, Prozesse und Technologie sorgfältig ausbalancieren.
Among all additive manufacturing processes, Directed Energy Deposition-Arc (DED-Arc) shows significantly shorter production times and is particularly suitable for large-volume components of simple to medium complexity. To exploit the full potential of this process, the microstructural, mechanical and corrosion behavior have to be studied. High stickout distances lead to a large offset, which leads to an instable electric arc and thus defects such as lack of fusion. Since corrosion preferentially occurs at such defects, the main objective of this work is to investigate the influence of the stickout distance on the corrosion
behavior and microstructure of stainless steel manufactured by DED-Arc.
Within the heterogenous structure of the manufactured samples lack of fusion defects were detected. The quantity of such defects was reduced by applying a shorter stickout distance. The corrosion behavior of the additively manufactured specimens was investigated by means of potentiodynamic polarization measurements. The semi-logarithmic current density potential curves showed a similar course and thus similar corrosion resistance like that of the conventionally forged sample. The polarization curve of the reference material shows numerous current peaks, both in the anodic and cathodic regions. This metastable behavior is induced by the presence of manganese sulfides. On the sample surface a local attack by pitting corrosion was identified.
Among the FDM process variables, one of the less addressed in previous research is the filament color. Moreover, if not explicitly targeted, the filament color is usually not even mentioned.
Aiming to point out if, and to what extent, the color of the PLA filaments influences the dimensional precision and the mechanical strength of FDM prints, the authors of the present research carried out experiments on tensile specimens. The variable parameters were the layer height (0.05 mm, 0.10 mm, 0.15 mm, 0.20 mm) and the material color (natural, black, red, grey). The experimental results clearly showed that the filament color is an influential factor for the dimensional accuracy as well as for the tensile strength of the FDM printed PLA parts. Moreover, the two way ANOVA test performed revealed that the strongest effect on the tensile strength was exerted by the PLA color (2 = 97.3%), followed by the layer height (2 = 85.5%) and the interaction between the PLA color and the layer height (2 = 80.0%). Under the same printing conditions, the best dimensional accuracy was ensured by the black PLA (0.17% width deviations, respectively 5.48% height deviations), whilst the grey PLA showed the highest ultimate tensile strength values (between 57.10 MPa and 59.82 MPa).
Without proper post-processing (often using flame, furnace, laser remelting, and induction) or reinforcements’ addition, Ni-based flame-sprayed coatings generally manifest moderate adhesion to the substrate, high porosity, unmelted particles, undesirable oxides, or weak wear resistance and mechanical properties. The current research aimed to investigate the addition of ZrO2 as reinforcement to the self-fluxing alloy coatings. Mechanically mixed NiCrBSi-ZrO2 powders were thermally sprayed onto an industrially relevant high-grade steel. After thermal spraying, the samples were differently post-processed with a flame gun and with a vacuum furnace, respectively. Scanning electron microscopy showed a porosity reduction for the vacuum-heat-treated samples compared to that of the flame-post-processed ones. X-ray diffraction measurements showed differences in the main peaks of the patterns for the thermal processed samples compared to the as-sprayed ones, these having a direct influence on the mechanical behavior of the coatings. Although a slight microhardness decrease was observed in the case of vacuum-remelted samples, the overall low porosity and the phase differences helped the coating to perform better during wear-resistance testing, realized using a ball-on-disk arrangement, compared to the as-sprayed reference samples.
Ni-based alloys are among the materials of choice in developing high-quality coatings for ambient and high temperature applications that require protection against intense wear and corrosion. The current study aims to develop and characterize NiCrBSi coatings with high wear resistance and improved adhesion to the substrate. Starting with nickel-based feedstock powders, thermally sprayed coatings were initially fabricated. Prior to deposition, the powders were characterized in terms of microstructure, particle size, chemical composition, flowability, and density. For comparison, three types of powders with different chemical compositions and characteristics were deposited onto a 1.7227 tempered steel substrate using oxyacetylene flame spraying, and subsequently, the coatings were inductively remelted. Ball-on-disc sliding wear testing was chosen to investigate the tribological properties of both the as-sprayed and induction-remelted coatings. The results reveal that, in the case of as-sprayed coatings, the main wear mechanisms were abrasive, independent of powder chemical composition, and correlated with intense wear losses due to the poor intersplat cohesion typical of flame-sprayed coatings. The remelting treatment improved the performance of the coatings in terms of wear compared to that of the as-sprayed ones, and the density and lower porosity achieved during the induction post-treatment had a significant positive role in this behavior.
Gerechter Zufall per Gesetz?
(2022)
Der Datenjournalismus wird gleichermaßen stark in der Nachrichtenbranche beobachtet und in der Journalismusforschung reflektiert. Dieser Beitrag beschreibt das Phänomen zunächst im Kontext des Megatrends der Automatisierung des Journalismus. Anschließend wird die erste Trendstudie zum Da-tenjournalismus in Deutschland vorgestellt: Die Berufsfeldstudie war 2012 und 2019 im Feld. Die ge-wählten Items ermöglichen einen Längsschnitt-Vergleich der Entwicklung des Datenjournalismus. Bei einem Vergleich mit den nationalen Daten der „Worlds of Journalism Study“ werden weitere Gemein-samkeiten und Unterschiede deutlich. Die Ergebnisse zeigen, dass sich der Datenjournalismus in Deutschland zunehmend institutionalisiert hat und Datenjournalist:innen sich stark einem investigati-ven politischen Journalismus verpflichtet fühlen.
Different charge treatment approaches are examined for cyclotide-induced plasma membrane disruption by lipid extraction studied with dissipative particle dynamics. A pure Coulomb approach with truncated forces tuned to avoid individual strong ion pairing still reveals hidden statistical pairing effects that may lead to artificial membrane stabilization or distortion of cyclotide activity depending on the cyclotide’s charge state. While qualitative behavior is not affected in an apparent manner, more sensitive quantitative evaluations can be systematically biased. The findings suggest a charge smearing of point charges by an adequate charge distribution. For large mesoscopic simulation boxes, approximations for the Ewald sum to account for mirror charges due to periodic boundary conditions are of negligible influence.
„Digital gestützte Lehrveranstaltungen“ im Sinne von § 1a Abs. 2 LVV (NRW) – eine erste Annäherung
(2022)
The use of molecular string representations for deep learning in chemistry has been steadily increasing in recent years. The complexity of existing string representations, and the difficulty in creating meaningful tokens from them, lead to the development of new string representations for chemical structures. In this study, the translation of chemical structure depictions in the form of bitmap images to corresponding molecular string representations was examined. An analysis of the recently developed DeepSMILES and SELFIES representations in comparison with the most commonly used SMILES representation is presented where the ability to translate image features into string representations with transformer models was specifically tested. The SMILES representation exhibits the best overall performance whereas SELFIES guarantee valid chemical structures. DeepSMILES perform in between SMILES and SELFIES, InChIs are not appropriate for the learning task. All investigations were performed using publicly available datasets and the code used to train and evaluate the models has been made available to the public.
The translation of images of chemical structures into machine-readable representations of the depicted molecules is known as optical chemical structure recognition (OCSR). There has been a lot of progress over the last three decades in this field, but the development of systems for the recognition of complex hand-drawn structure depictions is still at the beginning. Currently, there is no data for the systematic evaluation of OCSR methods on hand-drawn structures available. Here we present DECIMER — Hand-drawn molecule images, a standardised, openly available benchmark dataset of 5088 hand-drawn depictions of diversely picked chemical structures. Every structure depiction in the dataset is mapped to a machine-readable representation of the underlying molecule. The dataset is openly available and published under the CC-BY 4.0 licence which applies very few limitations. We hope that it will contribute to the further development of the field.
Das Phänomen des Shareholder Activismbzw. der aktivistischen Investorenwar bis vor wenigen Jahren primär aus demangloamerikanischen Raumbekannt. Seit einiger Zeit sind verstärkt auch europäische und deutscheUnternehmen das Ziel von aktivistischen Aktionären. Der vorliegendeBeitrag zeigt die Zielsetzungen dieser Investorengruppe und die hierbeiverfolgten Strategien bzw. eingesetzten Maßnahmen auf, womit paralleleine Beschreibung des Geschäftsmodells des finanziell geprägten Share-holder Activismvorgelegt wird.
Hintergrund
Während der SARS-CoV-2-Pandemie ist es vorrangig, die Mitarbeiter vor Infektionsrisiken zu schützen und die Geschäftstätigkeit zu sichern. Neue Virusvarianten mit erhöhter Ansteckungsgefahr erfordern eine weiterentwickelte Risikostrategie.
Material und Methoden
Mehrere Standardmaßnahmen wie Tests, Isolierung und Quarantäne werden zu einer neuartigen Risikostrategie kombiniert. Epidemiologische Modellrechnungen und wissenschaftliche Erkenntnisse über den Verlauf der SARS-CoV-2-Infektiosität werden zur Optimierung dieser Strategie herangezogen. Das Verfahren ist in einem einfach zu bedienenden Rechner auf Excel-Basis implementiert.
Aufbau in der Praxis und Ergebnisse
Alternative Maßnahmenkombinationen und praktische Aspekte werden erörtert. Anhand von Beispielrechnungen wird die Wirkung der diskutierten Maßnahmen demonstriert.
Schlussfolgerung
Der aus diesen Grundlagen abgeleitete Quarantäne-Rechner ermöglicht es auch Nicht-Fachleuten, eine differenzierte Risikoanalyse durchzuführen und optimierte Maßnahmen einzuleiten. Gezielte Prüfroutinen und alternative Maßnahmen sichern die Personalverfügbarkeit.
The development of deep learning-based optical chemical structure recognition (OCSR) systems has led to a need for datasets of chemical structure depictions. The diversity of the features in the training data is an important factor for the generation of deep learning systems that generalise well and are not overfit to a specific type of input. In the case of chemical structure depictions, these features are defined by the depiction parameters such as bond length, line thickness, label font style and many others. Here we present RanDepict, a toolkit for the creation of diverse sets of chemical structure depictions. The diversity of the image features is generated by making use of all available depiction parameters in the depiction functionalities of the CDK, RDKit, and Indigo. Furthermore, there is the option to enhance and augment the image with features such as curved arrows, chemical labels around the structure, or other kinds of distortions. Using depiction feature fingerprints, RanDepict ensures diversely picked image features. Here, the depiction and augmentation features are summarised in binary vectors and the MaxMin algorithm is used to pick diverse samples out of all valid options. By making all resources described herein publicly available, we hope to contribute to the development of deep learning-based OCSR systems.
Planung bzw. Budgetierung bilden ein zentrales Element des Controlling. Aussagekräftige Ergebnisse der Budgetierung sind unverzichtbar für die Steuerung der im Unternehmen verfügbaren Ressourcen. Entsprechend der hohen Bedeutung der Budgetierung ist eine intensive methodische Innovationsbereitschaft bei den Planungsinstrumenten in den letzten Jahren zu beobachten. Zwischenzeitlich werden auch die Einsatzbereiche des Zero-Based-Budgeting wieder intensiver diskutiert (= reloaded), wobei hier die Besonderheit darin besteht, dass dieses Instrument bereits in den 80er Jahren für einige Jahre eine stärkere Beachtung in der betriebswirtschaftlichen Theorie und Praxis gefunden hatte.
Die Ukrainekrise und coronabedingte Lieferkettenprobleme treiben derzeitdie Rohstoff-, Material- und Lebensmittelpreise hoch. Auch die Inflationser-wartungen steigen; es drohen Zweitrundeneffekte imGefolge höhererLohnforderungen und Lohnabschlüsse. Langfristig könnten in der Eurozoneweitere Faktoren die Inflation treiben, z.B. angebotsseitig der Fachkräfte-mangel sowie globale Nahrungsmittelknappheiten und politikseitig diegewollten Effekte der Klimapolitik. Der Beitrag diskutiert vor diesemHinter-grund geldpolitische Implikationen.
Ein größerer Anteil der in den letzten Jahren vorgenommenen Unternehmensakquisitionen wurde maßgeblich mit attraktiven Synergieerwartungen begründet. Bei näherer Betrachtung können diese Synergien oft nur wenig präzise quantifiziert und der Zeitpunkt ihrer Realisierung nur ungenau eingeordnet werden. Der vorliegende Beitrag zeigt die Bedeutung von Synergien in Verbindung mit dem Goodwill, grenzt die Kosten- und Umsatzsynergien inhaltlich ab und befasst sich auf der Basis zahlreicher Studien mit dem aktuellen Erkenntnisstand in Verbindung mit der Vorbereitung und Realisierung von Kosten- und Umsatzsynergien.
Biomimetics is a well-known approach for technical innovation. However, most of its influence remains in the academic field. One option for increasing its application in the practice of technical design is to enhance the use of the biomimetic process with a step-by-step standard, building a bridge to common engineering procedures. This article presents the endeavor of an interdisciplinary expert panel from the fields of biology, engineering science, and industry to develop a standard that links biomimetics to the classical processes of product development and engineering design. This new standard, VDI 6220 Part 2, proposes a process description that is compatible and connectable to classical approaches in engineering design. The standard encompasses both the solution-based and the problem-driven process of biomimetics. It is intended to be used in any product development process for more biomimetic applications in the future.
Robot arms are one of many assistive technologies used by people with motor impairments. Assistive robot arms can allow people to perform activities of daily living (ADL) involving grasping and manipulating objects in their environment without the assistance of caregivers. Suitable input devices (e.g., joysticks) mostly have two Degrees of Freedom (DoF), while most assistive robot arms have six or more. This results in time-consuming and cognitively demanding mode switches to change the mapping of DoFs to control the robot. One option to decrease the difficulty of controlling a high-DoF assistive robot arm using a low-DoF input device is to assign different combinations of movement-DoFs to the device’s input DoFs depending on the current situation (adaptive control). To explore this method of control, we designed two adaptive control methods for a realistic virtual 3D environment. We evaluated our methods against a commonly used non-adaptive control method that requires the user to switch controls manually. This was conducted in a simulated remote study that used Virtual Reality and involved 39 non-disabled participants. Our results show that the number of mode switches necessary to complete a simple pick-and-place task decreases significantl when using an adaptive control type. In contrast, the task completion time and workload stay the same. A thematic analysis of qualitative feedback of our participants suggests that a longer period of training could further improve the performance of adaptive control methods.
Nowadays, robots are found in a growing number of areas where they collaborate closely with humans. Enabled by lightweight materials and safety sensors, these cobots are gaining increasing popularity in domestic care, where they support people with physical impairments in their everyday lives. However, when cobots perform actions autonomously, it remains challenging for human collaborators to understand and predict their behavior, which is crucial for achieving trust and user acceptance. One significant aspect of predicting cobot behavior is understanding their perception and comprehending how they “see” the world. To tackle this challenge, we compared three different visualization techniques for Spatial Augmented Reality. All of these communicate cobot perception by visually indicating which objects in the cobot’s surrounding have been identified by their sensors. We compared the well-established visualizations Wedge and Halo against our proposed visualization Line in a remote user experiment with participants suffering from physical impairments. In a second remote experiment, we validated these findings with a broader non-specific user base. Our findings show that Line, a lower complexity visualization, results in significantly faster reaction times compared to Halo, and lower task load compared to both Wedge and Halo. Overall, users prefer Line as a more straightforward visualization. In Spatial Augmented Reality, with its known disadvantage of limited projection area size, established off-screen visualizations are not effective in communicating cobot perception and Line presents an easy-to-understand alternative.
Fruits (follicles) of Hakea salicifolia and Hakea sericea (Proteaceae) are characterised by pronounced lignification and open via a ventral suture and the dorsal side. The opening along both sides is unique within the Proteaceae. Both serotinous species are obligate seeders, whose spreading benefits from bush fire events. The different tissues and the course of the vascular bundles must allow the opening mechanism. While their 2D-arrangements are known to some extent from light-microscopy images of cross-sections, this work presents their three-dimensional structures and discusses their contribution to the opening of Hakea fruits. For this purpose, 3D greyscale images, reconstructed from µCT-projection data of both fruits are segmented, assisted by a deep learning algorithm (AI algorithm). 3D renderings from these segmentations show strongly interconnected vascular bundles that build a double-dome shaped network in each valve of H. salicifolia and a dome shaped honeycomb-structure in each valve of H. sericea. However, the vascular bundles of both species show no interconnection between the two lateral valves of the fruit but leave gaps for predetermined fracture tissues on the ventral and dorsal side. The opening of the fruits after a fire or after separation from the mother plant can be explained by the anisotropic shrinkage in the two valves of the fruit.
We investigated the formation of Artemia franciscana swarms of freshly hatched instar I nauplii larvae. Nauplii were released into light gradients but then interrupted by light-direction changes, small obstacles, or long barriers. All experiments were carried out horizontally. Each experiment used independent replicates. Freshly produced Artemia broods were harvested from independent incubators thus providing true replicate cohorts of Artemia subjected as replicates to the experimental treatments.
We discovered that Artemia nauplii swarms can: 1. repeatedly react to non-obstructed light gradients that undergo repeated direction-changes and do so in a consistent way, 2. find their way to a light source within maze-like arrangements made from small transparent obstacles, 3. move as a swarm around extended transparent barriers, following a light gradient. This paper focuses on the recognition of whole-swarm behaviors, the description thereof and the recognition of differences in whole-swarm movements comparing non-obstructed swarming with swarms encountering obstacles. Investigations of the within-swarm behaviors of individual Artemia nauplii and their interactions with neighboring nauplii are in progress, e.g. in order to discover the underlying swarming algorithms and differences
thereof comparing non-obstructed vs. obstructed pathways.
The concept of molecular scaffolds as defining core structures of organic molecules is utilised in many areas of chemistry and cheminformatics, e.g. drug design, chemical classification, or the analysis of high-throughput screening data. Here, we present Scaffold Generator, a comprehensive open library for the generation, handling, and display of molecular scaffolds, scaffold trees and networks. The new library is based on the Chemistry Development Kit (CDK) and highly customisable through multiple settings, e.g. five different structural framework definitions are available. For display of scaffold hierarchies, the open GraphStream Java library is utilised. Performance snapshots with natural products (NP) from the COCONUT (COlleCtion of Open Natural prodUcTs) database and drug molecules from DrugBank are reported. The generation of a scaffold network from more than 450,000 NP can be achieved within a single day.
Im zweiten Corona-Winter sollen die Schulen offenbleiben. Neben Fenster- und mechanischer Lüftung werden mobile Raumluftreiniger als sinnvolle Maßnahmen angesehen, um das Infektionsrisiko zu reduzieren. Dabei stellt sich die Frage, wie deren sicherer und zuverlässiger Betrieb gestalten sein muss. Gibt es bevorzugte Aufstellpositionen im Raum und wie wirkt sich die Luftbewegung auf die Behaglichkeit aus? Die Datenlage hierzu ist noch unzureichend (vgl. HLH-Interview mit Dr. Gommel, HLH 10/2021). Diese Fragen werden für einen typischen Seminar- und Klassenraum näher beleuchtet.
Zentrale Raumlufttechnische Anlagen (RLT-Anlagen) sind für Betriebszeiten von fünfzehn und mehr Jahren konzipiert. Nicht selten werden die Geräte auch nach 25 Jahren Dank Retrofit weiterbetrieben. Unberücksichtigt bleibt dabei, ob die zukünftigen, klimatischen Bedingungen noch der Auslegung entsprechen. Zur Überprüfung der klimatischen Änderungen können sogenannte Testreferenzjahre (TRY – Test Reference Year) genutzt werden. Diese basieren für die heutige Auslegung auf den lokalen, stündlichen Wetterbedingungen im Bezugsjahr 2012 und zusätzlich auf modellbasierten Wetterdaten für das Bezugsjahr 2045.
Das Zentralluftgerät einer Krankenhaus-Intensivstation wurde für die 15 Wetter¬stationen der VDI 4710, Blatt 3 in Deutschland auf die Leistungsanforderungen von heute und für das Jahr 2045 untersucht. Zusätzlich wurden für den Standort Berlin die aktuellen Wetteraufzeichnungen im Sommer 2020 betrachtet. Daraus lassen sich Rückschlüsse ziehen, wie sich städtische Wärmeinseln (UHI – Urban Heat Islands) zukünftig auf den Energie- und Leistungsbedarf zur Gebäudeklimatisierung auswirken werden.
Die Auswirkungen auf die Wärme- und Kältespitzenleistung sowie der kumulierte Energiebedarf werden genauso analysiert wie der Befeuchtungsbedarf. Hieraus lassen sich die potenziellen Leistungsreserven abschätzen und die Klimaresilienz der Anlagentechnik bewerten.
We study the dynamics of a quantum two-state system driven through an avoided crossing under the influence of a super-Ohmic environment. We determine the Landau–Zener probability employing the numerical exact quasi-adiabatic path integral and a Markovian weak coupling approach. Increasing the driving time in the numerical protocol, we find converged results which shows that super-Ohmic environments only influence the Landau Zener probability within a finite crossing time window. This crossing time is qualitatively determined by the environmental cut-off energy. At weak coupling, we show that the Markovian weak coupling approach provides an accurate description. Since pure dephasing of a super-Ohmic bath is non-Markovian, this highlights that pure dephasing hardly influences the Landau–Zener probability. The finite crossing time window, thus, results from the suppression of relaxation once the energy splitting exceeds the environmental cut-off energy.
A quantum two-level system immersed in a sub-Ohmic bath experiences enhanced low-frequency quantum statistical fluctuations which render the nonequilibrium quantum dynamics highly non-Markovian. Upon using the numerically exact time-evolving matrix product operator approach, we investigate the phase diagram of the polarization dynamics. In addition to the known phases of damped coherent oscillatory dynamics and overdamped decay, we identify a new third region in the phase diagram for strong coupling showing an aperiodic behavior. We determine the corresponding phase boundaries. The dynamics of the quantum two-state system herein is not coherent by itself but slaved to the oscillatory bath dynamics.
We propose a quantum-mechanical model to calculate the nonlinear differential conductance of a single molecular junction immersed in a solvent, either in pure form or as a binary mixture with varying volume fraction. The solvent mixture is captured by a dielectric continuum model for which the resulting spectral density is determined within the Gladstone-Dale approach. The conductance of the molecular junction is calculated by a real-time diagrammatic technique. We find a strong variation of the conductance maximum for varying volume fraction of the solvent mixture. Importantly, the calculated molecular nonlinear conductance shows a very good agreement with experimentally measured data for common molecular junctions in various polar solvent mixtures.