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Gerechter Zufall per Gesetz?
(2022)
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.
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.
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.
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.
Die Ergebnispublikation aus dem Projekt Next Level Sports zeigt anhand der im Forschungsprojekt entwickelter Software-Konzepte auf, wie der Einsatz immersiver, digitaler Technologien zu einer aktiveren und gesünderen Lebensweise beitragen kann.
Durch ihre soziale Integrationskraft und ihre positive Wirkung auf Gesundheit und Wohlbefinden stellen Sport und Bewegung wichtige Handlungsfelder der kommunalen Daseinsvorsorge dar. Dabei nimmt die Bereitschaft, sich ausreichend zu bewegen, in den letzten Jahren in Deutschland geradezu dramatisch ab. Für die Sportförderung von Städten und Gemeinden bedeutet das, sich neuen Entwicklungen offensiv zu stellen und dabei auch die Chancen der Digitalisierung zu erschließen, um schließlich eine Trendumkehr gegen den Bewegungsmangel einleiten zu können.
In Rahmen des Forschungsprojektes Next Level Sports wurden vielfältige Ansätze identifiziert, wie immersive XR-Technologien (Virtuelle und Erweiterte Realität) eingesetzt werden können, um sportliche Aktivitäten anzuregen, Gesundheitsvorsorge zu fördern und damit die Aktivität und das Wohlbefinden zu steigern. Die entwickelten Konzepte werden in der Broschüre steckbriefartig vorgestellt und erlauben eine vertiefende Diskussion um die die Einsatzmöglichkeiten von XR-Bewegungsangeboten im kommunalen Kontext.
Die im Projekt entwickelten Software-Komponenten stehen als Open-Source-Ressourcen über GitHub zur Verfügung und können über QR-Codes in der Broschüre abgerufen werden.
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.
Various aqueous citrate electrolyte compositions for the Ni-Mo electrodeposition are explored in order to deposit Ni-Mo alloys with Mo-content ranging from 40 wt% to 65 wt% to find an alloy composition with superior catalytic activity towards the hydrogen evolution reaction (HER). The depositions were performed on copper substrates mounted onto a rotating disc electrode (RDE) and were investigated via scanning electron microscopy (SEM), X-ray fluorescence (XRF) and X-ray diffraction (XRD) methods as well as linear sweep voltammetry (LSV) and impedance spectroscopy. Kinetic parameters were calculated via Tafel analysis. Partial deposition current densities and current efficiencies were determined by correlating XRF measurements with gravimetric results. The variation of the electrolyte composition and deposition parameters enabled the deposition of alloys with Mo-content over the range of 40-65 wt%. An increase in Mo-content in deposited alloys was recorded with an increase in rotation speed of the RDE. Current efficiency of the deposition was in the magnitude of <1%, which is characteristic for the deposition of alloys with high Mo-content. The calculated kinetic parameters were used to determine the Mo-content with the highest catalytic activity for use in the HER.
Das Internet hat sich als globale Kommunikations-, Informations-, Commerce- und Businessinfrastruktur fest in der Gesellschaft etabliert. Mit jedem Grad Zuwachs bei der Digitalisierung wird das Leben einfacher und schneller - aber auch gefährlicher. Die konkrete Gefährlichkeit bleibt dabei bislang oft ein Mysterium - Strategien für die IT-Sicherheit müssen auf Basis von Annahmen und Erfahrungen entwickelt werden. Internet-Kennzahlen und deren systematische Auswertung sollen nun dabei helfen, Probleme, Risiken und Schwachstellen als Trend zu erkennen, um Sicherheitsstrategien proaktiv fokussierter zu gestalten. Auch der Stand der IT-Sicherheit lässt sich durch Messung der Kennzahlen ermitteln und bewerten. Internet-Kennzahlen werden von lokalen und globalen Anbietern bereitgestellt.
Supply-Chain-Angriffe sind eine akute Bedrohung für jedes Unternehmen. Einen Softwarelieferanten auszunutzen, um eine große Anzahl seiner Kunden zu erreichen, ist eine ausgeklügelte und erfolgreiche Methode aktueller Hacker. Die Spezialisierung der Unternehmen auf ihre Kernkompetenzen, die Globalisierung der Lieferketten (im folgendem wird Supply Chain und Lieferkette synonym verwendet), sowie die Digitalisierung entlang der Wertschöpfungskette sind nur einige Beispiele, wieso Angreifer vermehrt die Vertrauensbeziehung zwischen Kunden und Lieferanten verstärkt für Angriffe ausnutzen. Dieser Artikel erläutert Cyber-Angriffe in Bezug auf eine Supply Chain und zeigt Sicherheitsmechanismen für die erfolgreiche Verteidigung.
The present paper presents one- and two-step approaches for electrochemical Pt and Ir deposition on a porous Ti-substrate to obtain a bifunctional oxygen electrode. Surface pre-treatment of the fiber-based Ti-substrate with oxalic acid provides an alternative to plasma treatment for partially stripping TiO2 from the electrode surface and roughening the topography. Electrochemical catalyst deposition performed directly onto the pretreated Ti-substrates bypasses unnecessary preparation and processing of catalyst support structures. A single Pt constant potential deposition (CPD), directly followed by pulsed electrodeposition (PED), created nanosized noble agglomerates. Subsequently, Ir was deposited via PED onto the Pt sub-structure to obtain a successively deposited PtIr catalyst layer. For the co-deposition of PtIr, a binary PtIr-alloy electrolyte was used applying PED. Micrographically, areal micro- and nano-scaled Pt sub-structure were observed, supplemented by homogenously distributed, nanosized Ir agglomerates for the successive PtIr deposition. In contrast, the PtIr co-deposition led to spherical, nanosized PtIr agglomerates. The electrochemical ORR and OER activity showed increased hydrogen desorption peaks for the Pt-deposited substrate, as well as broadening and flattening of the hydrogen desorption peaks for PtIr deposited substrates. The anodic kinetic parameters for the prepared electrodes were found to be higher than those of a polished Ir-disc.
Flame-sprayed NiCrBSi/WC-12Co composite coatings were deposited in different ratios on the surface of stainless steel. Oxyacetylene flame remelting treatment was applied to surfaces for refinement of the morphology of the layers and improvement of the coating/substrate adhesion.
The performance of the coated specimens to cavitation erosion and electrochemical corrosion was evaluated by an ultrasonic vibratory method and, respectively, by polarization measurements. The microstructure was investigated by means of scanning electron microscopy (SEM) combined with energy dispersive X-ray analysis (EDX). The obtained results demonstrated that the addition of 15 wt.% WC-12Co to the self-fluxing alloy improves the resistance to cavitation erosion (the terminal erosion rate (Vs) decreased with 15% related to that of the NiCrBSi coating) without influencing the good corrosion resistance in NaCl solution. However, a further increase in WC-Co content led to a deterioration of these coating properties (the Vs has doubled related to that of the NiCrBSi coating).
Moreover, the corrosion behavior of the latter composite coating was negatively influenced, a fact confirmed by increased values for the corrosion current density (icorr). Based on the achieved experimental results, one may summarize that NiCrBSi/WC-Co composite coatings are able to increase the life cycle of expensive, high-performance components exposed to severe cavitation conditions.
Im Prinzip wollen und müssen Menschen auch in der digitalen Welt vertrauen (können) – nicht zuletzt, um grundsätzlich handlungsfähig zu sein. Aber auch, weil teilweise gar keine andere Wahl besteht, als einfach zu vertrauen, da die IT-Technologien mittlerweile nicht nur so allgegenwärtig, sondern auch so komplex geworden sind, dass der Nutzer sie vielfach gar nicht mehr einschätzen kann. Daher ist es – insbesondere im Sinne der Digitalisierung – wichtig und auch notwendig, dass Nutzern verschiedene Alternativen zur Verfügung stehen, anhand derer sie individuell die Vertrauenswürdigkeit von Unternehmen sowie IT-Lösungen – also jeglicher Produkte, Anwendungen und Dienste – beurteilen können. Aufgrund der steigenden Zahl an Sicherheitsvorfällen in der digitalen Welt sollte speziell die Cyber-Sicherheit dabei im Fokus stehen.
Aufgrund der zunehmenden IT-Technisierung und damit einhergehend stetigen Veränderung der Lebensbedingungen ist es notwendig, dass Menschen den IT-Lösungen und Unternehmen weiterhin und kontinuierlich vertrauen können. Denn durch den höheren Grad der IT-Technisierung steigt die Komplexität, wodurch es für den Nutzer zunehmend schwieriger wird, einzelne IT-Lösungen und deren Hintergründe zu verstehen sowie zu bewerten. Diese Veränderung hat Auswirkungen: Zum einen macht sie grundsätzlich den Nutzern – den Menschen – Angst, da gewohnte Vorgänge beständig ihre Gültigkeit verlieren. Zum anderen entsteht dadurch sowie durch die Komplexität latent das Gefühl, eine falsche Entscheidung zu treffen, weil nicht alles bedacht werden kann. So fällt dem Aspekt der Interdependenz von Vertrauen und Vertrauenswürdigkeit für deutsche und europäische Unternehmen eine hohe Bedeutung zu, insbesondere auch da sich internationale Tech-Unternehmen zunehmend weniger vertrauenswürdig im komplexen Cyber-Raum verhalten. Dies eröffnet die Möglichkeit, sich über den Aufbau von Vertrauen weltweit gegen internationale Unternehmen nachhaltig zu profilieren und positionieren. Um dieses Ziel zu realisieren, bedarf es einer strategischen Vorgehensweise – zum Beispiel auf Basis des Vertrauenswürdigkeitsmodells.
Wie wählen Nachrichtenmedien aus, worüber sie berichten? Dieser Frage versuchen Nachrichtenwertforschende seit vielen Jahren auf den Grund zu gehen. Die Nachrichtenwertforschung ist eine der traditionsreichsten Forschungsrichtungen der Journalismusforschung, die bis zum heutigen Tag aktuell ist. Begründet wurde sie bereits in den 1920er-Jahren von Walter Lippmann, internationale Bekanntheit erfuhr sie durch Johan Galtung und Mari Holmboe Ruge, die 1965 eine Liste von Nachrichtenfaktoren entwickelten und diese empirisch überprüften. Es folgten unzählige empirische Untersuchungen zu diesem Thema, die sich an einer Weiterentwicklung der Theorie versuchten. Der vorliegende Beitrag gibt einen Überblick über die Entwicklungsgeschichte der Nachrichtenwertforschung und skizziert, was Forschende heutzutage an der Thematik interessiert.
Web measurement studies can shed light on not yet fully understood phenomena and thus are essential for analyzing how the modern Web works. This often requires building new and adjustinng existing crawling setups, which has led to a wide variety of analysis tools for different (but related) aspects. If these efforts are not sufficiently documented, the reproducibility and replicability of the measurements may suffer—two properties that are crucial to sustainable research. In this paper, we survey 117 recent research papers to derive best practices for Web-based measurement studies and specify criteria that need to be met in practice. When applying these criteria to the surveyed papers, we find that the experimental setup and other aspects essential to reproducing and replicating results are often missing. We underline the criticality of this finding by performing a large-scale Web measurement study on 4.5 million pages with 24 different measurement setups to demonstrate the influence of the individual criteria. Our experiments show that slight differences in the experimental setup directly affect the overall results and must be documented accurately and carefully.
Third-party tracking is a common and broadly used technique on the Web. Different defense mechanisms have emerged to counter these practices (e.g. browser vendors that ban all third-party cookies). However, these countermeasures only target third-party trackers and ignore the first party because the narrative is that such monitoring is mostly used to improve the utilized service (e.g. analytical services). In this paper, we present a large-scale measurement study that analyzes tracking performed by the first party but utilized by a third party to circumvent standard tracking preventing techniques. We visit the top 15,000 websites to analyze first-party cookies used to track users and a technique called “DNS CNAME cloaking”, which can be used by a third party to place first-party cookies. Using this data, we show that 76% of sites effectively utilize such tracking techniques. In a long-running analysis, we show that the usage of such cookies increased by more than 50% over 2021.