Entwicklung neuer Methoden zur eindeutigen und fehlerfreien Kommunikation im Bereich der 3D-modellbasierten Arbeitsweise

Die Digitalisierung industrieller Fertigungs- und Qualitätssicherungsprozesse hat mittlerweile in einer Vielzahl von Unternehmen Einzug gefunden und ist dort nicht mehr wegzudenken. Ausgehend von einem funktionalen 3D-CAD-Modell soll es möglich sein, nahezu alle produktbegleitenden Prozesse – von der Konstruktion bis zur Endabnahme beim Kunden – teil- oder vollautomatisiert zu steuern. Das Ziel ist die eindeutige Vergleichbarkeit konstruktiver, fertigungstechnischer und qualitätsrelevanter Daten im Produktentstehungsprozess. Gerade im Bereich der Qualitätssicherung und der abgeleiteten Messprotokollierung besteht diesbezüglich bisher nicht ausgeschöpftes Optimierungspotenzial. Die bestehende Entwicklungslücke stört die Durchgängigkeit der digitalen 3D-CAD-basierten Prozesskette und beeinträchtigt die Prozess- und Informationstransparenz innerhalb der Produktentstehung. Mit der Verwendung der Product and Manufacturing Information (PMI) im 3D-CAD-Modell wird dieser Problematik zwar entgegengewirkt, jedoch ist es bislang nur begrenzt möglich, die Produkt- und Fertigungsinformationen eindeutig und unverändert in der heterogenen CAx-Systemlandschaft innerhalb der Produktentstehung zu transferieren. Neben der fehlenden Eindeutigkeit der PMI liegt die Ursache häufig bereits bei Fehldefinitionen der Informationen im Bereich der Bauteilkonstruktion. Eine eindeutige Zuordnung der Prüfmerkmale zu den jeweiligen Geometrieelementen wird nicht gewährleistet, sodass prüftechnisch ermittelte Soll-Wert-Abweichungen aus der Qualitätssicherung nicht direkt (ohne manuelle Nach- bzw. Mehrarbeit) dem entsprechenden geometrischen Element im 3D-CAD-Modell zugeordnet werden können. Das Ziel dieser Arbeit ist daher, eine Methode zu entwickeln, mit der die 3D-CAD-Modellinformationen semantisch korrekt definiert und auf Basis einer einheitlichen Kennzeichnung eindeutig im Produktentstehungsprozess identifiziert und maschinenlesbar weiterverarbeitet werden können. Zusätzlich werden aufbauend auf der eindeutigen Identifikation der Bauteilinformationen neue Methoden im Bereich der 3D CAD-basierten Arbeitsweise entwickelt, die den Mitarbeiter im Bereich der Prüf- und Arbeitsplanung sowie bei arbeitsvorgangsspezifischen Aufgaben in der Fertigung entlasten.:1. Einleitung 2. Stand der Forschung und Technik 3. Anforderungsprofil zur Methodenentwicklung 4. Entwicklung von Methoden zur 3D-modellbasierten Arbeitsweise in der Fertigung 5. Validierung der Methode zur Erreichung eines 3D modellbasierten Fertigungsansatzes 6. Diskussion und Fazit zu den Ergebnissen im Bereich der 3D-modellbasierten Arbeitsweise 7. Zusammenfassung und Ausblic

Reproducibility in high-throughput density functional theory: a comparison of AFLOW, Materials Project, and OQMD

A central challenge in high throughput density functional theory (HT-DFT) calculations is selecting a combination of input parameters and post-processing techniques that can be used across all materials classes, while also managing accuracy-cost tradeoffs. To investigate the effects of these parameter choices, we consolidate three large HT-DFT databases: Automatic-FLOW (AFLOW), the Materials Project (MP), and the Open Quantum Materials Database (OQMD), and compare reported properties across each pair of databases for materials calculated using the same initial crystal structure. We find that HT-DFT formation energies and volumes are generally more reproducible than band gaps and total magnetizations; for instance, a notable fraction of records disagree on whether a material is metallic (up to 7%) or magnetic (up to 15%). The variance between calculated properties is as high as 0.105 eV/atom (median relative absolute difference, or MRAD, of 6%) for formation energy, 0.65 {\AA}$^3$/atom (MRAD of 4%) for volume, 0.21 eV (MRAD of 9%) for band gap, and 0.15 $\mu_{\rm B}$/formula unit (MRAD of 8%) for total magnetization, comparable to the differences between DFT and experiment. We trace some of the larger discrepancies to choices involving pseudopotentials, the DFT+U formalism, and elemental reference states, and argue that further standardization of HT-DFT would be beneficial to reproducibility.Comment: Authors VIH and CKHB contributed equally to this wor

ACED: Accelerated Computational Electrochemical systems Discovery

Large-scale electrification is vital to addressing the climate crisis, but many engineering challenges remain to fully electrifying both the chemical industry and transportation. In both of these areas, new electrochemical materials and systems will be critical, but developing these systems currently relies heavily on computationally expensive first-principles simulations as well as human-time-intensive experimental trial and error. We propose to develop an automated workflow that accelerates these computational steps by introducing both automated error handling in generating the first-principles training data as well as physics-informed machine learning surrogates to further reduce computational cost. It will also have the capacity to include automated experiments "in the loop" in order to dramatically accelerate the overall materials discovery pipeline.Comment: 4 pages, 1 figure, accepted to NeurIPS Climate Change and AI Workshop 2020, updating acknowledgements and citation

Osteoblastic Response in Patients with Non-small Cell Lung Cancer with Activating EGFR Mutations and Bone Metastases during Treatment with EGFR Kinase Inhibitors

© 2010International Association for the Study of Lung Cance

Fetal Programming of Adult Glucose Homeostasis in Mice

BACKGROUND: Emerging evidence suggests that dietary soy and phytoestrogens can have beneficial effects on lipid and glucose metabolism. We have previously shown that male mice fed from conception to adulthood with a high soy-containing diet had reduced body weight, adiposity and a decrease in glucose intolerance, an early marker of insulin resistance and diabetes. OBJECTIVES: The purpose of this study was to identify the precise periods of exposure during which phytoestrogens and dietary soy improve lipid and glucose metabolism. Since intrauterine position (IUP) has been shown to alter sensitivity to endocrine disruptors, we also investigated whether the combination of IUP and fetal exposure to dietary phytoestrogens could potentially affect adult metabolic parameters. METHODS: Male outbred mice (CD-1) were allowed ad libitum access to either a high soy-containing diet or a soy-free diet either during gestation, lactation or after weaning. Adiposity and bone mass density was assessed by dual x-ray absorptiometry. Glucose tolerance was assessed by a glucose tolerance test. Blood pressure was examined by the tail-cuff system. RESULTS: Here we show that metabolic improvements are dependent on precise windows of exposure during life. The beneficial effects of dietary soy and phytoestrogens on adiposity were apparent only in animals fed post-natally, while the improvements in glucose tolerance are restricted to animals with fetal exposure to soy. Interestingly, we observed that IUP influenced adult glucose tolerance, but not adiposity. Similar IUP trends were observed for other estrogen-related metabolic parameters such as blood pressure and bone mass density. CONCLUSION: Our results suggest that IUP and fetal exposure to estrogenic environmental disrupting compounds, such as dietary phytoestrogens, could alter metabolic and cardiovascular parameters in adult individuals independently of adipose gain

Parma consensus statement on metabolic disruptors

A multidisciplinary group of experts gathered in Parma Italy for a workshop hosted by the University of Parma, May 16–18, 2014 to address concerns about the potential relationship between environmental metabolic disrupting chemicals, obesity and related metabolic disorders. The objectives of the workshop were to: 1. Review findings related to the role of environmental chemicals, referred to as “metabolic disruptors”, in obesity and metabolic syndrome with special attention to recent discoveries from animal model and epidemiology studies; 2. Identify conclusions that could be drawn with confidence from existing animal and human data; 3. Develop predictions based on current data; and 4. Identify critical knowledge gaps and areas of uncertainty. The consensus statements are intended to aid in expanding understanding of the role of metabolic disruptors in the obesity and metabolic disease epidemics, to move the field forward by assessing the current state of the science and to identify research needs on the role of environmental chemical exposures in these diseases. We propose broadening the definition of obesogens to that of metabolic disruptors, to encompass chemicals that play a role in altered susceptibility to obesity, diabetes and related metabolic disorders including metabolic syndrome

Evolution of Multidrug Resistance during Staphylococcus aureus Infection Involves Mutation of the Essential Two Component Regulator WalKR

Antimicrobial resistance in Staphylococcus aureus is a major public health threat, compounded by emergence of strains with resistance to vancomycin and daptomycin, both last line antimicrobials. Here we have performed high throughput DNA sequencing and comparative genomics for five clinical pairs of vancomycin-susceptible (VSSA) and vancomycin-intermediate ST239 S. aureus (VISA); each pair isolated before and after vancomycin treatment failure. These comparisons revealed a frequent pattern of mutation among the VISA strains within the essential walKR two-component regulatory locus involved in control of cell wall metabolism. We then conducted bi-directional allelic exchange experiments in our clinical VSSA and VISA strains and showed that single nucleotide substitutions within either walK or walR lead to co-resistance to vancomycin and daptomycin, and caused the typical cell wall thickening observed in resistant clinical isolates. Ion Torrent genome sequencing confirmed no additional regulatory mutations had been introduced into either the walR or walK VISA mutants during the allelic exchange process. However, two potential compensatory mutations were detected within putative transport genes for the walK mutant. The minimal genetic changes in either walK or walR also attenuated virulence, reduced biofilm formation, and led to consistent transcriptional changes that suggest an important role for this regulator in control of central metabolism. This study highlights the dramatic impacts of single mutations that arise during persistent S. aureus infections and demonstrates the role played by walKR to increase drug resistance, control metabolism and alter the virulence potential of this pathogen

Cervical epidural steroid injections in the management of cervical radiculitis: interlaminar versus transforaminal. A review

There has been recent concern regarding the safety of cervical epidural steroid injections. The decision to proceed with treatment requires balancing the risk and benefits. This article is an in depth review of the efficacy, complications, and technique of both interlaminar and transforaminal cervical epidural steroid injections in the management of cervical radiculitis