Промышленная безопасность как компонент хозяйственной политики предприятий нефтегазового комплекса: оценка состояния и перспективы развития

Исследование инструментов встраивания политики промышленной безопасности компании в общекорпоративную политику. Разработка схемы реализации политики промышленной безопасности через призму функций менеджмента, в которой определены показатели, отражающие промышленную безопасность в каждой функции управления.Investigation of the instruments of embedding the industrial safety policy into corporate policy. Development of a scheme for implementing industrial safety policies through the prism of management functions, which defines indicators that reflect industrial safety in each management function

Die Nationale Forschungsdateninfrastruktur für die Ingenieurwissenschaften (NFDI4Ing)

Das Konsortium NFDI4Ing wurde 2017 gegründet und legt einen Schwerpunkt seiner Arbeit auf die Identifizierung und Harmonisierung spezifischer, datengenerierender Ingenieurtätigkeiten. Das Arbeitsprogramm des Konsortiums ist modular aufgebaut und zeichnet sich durch die Einführung sogenannter methodenorientierter Archetypen aus. Dabei werden fachspezifische Use Cases zusammen mit Nutzenden aus den Ingenieurswissenschaften entlang der Forschungsprozesse kontinuierlich ausbaut. NFDI4Ing besitzt drei Community-bezogene Schwerpunkte: Die Gewährleistung von Datenkompetenz durch Aus- und Weiterbildung, die Förderung von technologischen Lösungen und Methoden, sowie die Förderung von Data Governance und Kuration

Impairment of Immunoproteasome Function by β5i/LMP7 Subunit Deficiency Results in Severe Enterovirus Myocarditis

Proteasomes recognize and degrade poly-ubiquitinylated proteins. In infectious disease, cells activated by interferons (IFNs) express three unique catalytic subunits β1i/LMP2, β2i/MECL-1 and β5i/LMP7 forming an alternative proteasome isoform, the immunoproteasome (IP). The in vivo function of IPs in pathogen-induced inflammation is still a matter of controversy. IPs were mainly associated with MHC class I antigen processing. However, recent findings pointed to a more general function of IPs in response to cytokine stress. Here, we report on the role of IPs in acute coxsackievirus B3 (CVB3) myocarditis reflecting one of the most common viral disease entities among young people. Despite identical viral load in both control and IP-deficient mice, IP-deficiency was associated with severe acute heart muscle injury reflected by large foci of inflammatory lesions and severe myocardial tissue damage. Exacerbation of acute heart muscle injury in this host was ascribed to disequilibrium in protein homeostasis in viral heart disease as indicated by the detection of increased proteotoxic stress in cytokine-challenged cardiomyocytes and inflammatory cells from IP-deficient mice. In fact, due to IP-dependent removal of poly-ubiquitinylated protein aggregates in the injured myocardium IPs protected CVB3-challenged mice from oxidant-protein damage. Impaired NFκB activation in IP-deficient cardiomyocytes and inflammatory cells and proteotoxic stress in combination with severe inflammation in CVB3-challenged hearts from IP-deficient mice potentiated apoptotic cell death in this host, thus exacerbating acute tissue damage. Adoptive T cell transfer studies in IP-deficient mice are in agreement with data pointing towards an effective CD8 T cell immune. This study therefore demonstrates that IP formation primarily protects the target organ of CVB3 infection from excessive inflammatory tissue damage in a virus-induced proinflammatory cytokine milieu

Quanten-Monte-Carlo : Optimierung von Wellenfunktionen und Benchmarkrechnungen

The basic idea of the diffusion quantum Monte Carlo method (DMC) is the analogy of the Schrödinger equation in imaginary time and atomic units to a generalized diffusion equation and the numerical simulation of the diffusion according to a random walk process. DMC yields the exact statistical solution of the Schrödinger equation for boson systems. A possibility to describe fermions is the fixed-node diffusion quantum Monte Carlo method (FN-DMC). In the FN-DMC approach the nodes of the trial wave function are considered as additional boundary conditions. If the nodes of the trial wave function and the nodes of the exact wave function are identical FN-DMC yields the exact non-relativistic energy. For this the obtained ground state energy is an upper bound to the exact value. The difference between the ground state energy of the trial wave function and the exact ground state energy is called node location error. The node location error is the only systematical bias in FN-DMC, which could not be eliminated by extrapolation. Diffusion quantum Monte Carlo approaches have been shown to provide highly accurate results when applied to a wide range of chemical systems (e.g. atoms, molecules, solids, etc.) to calculate a wide range of properties (e.g. binding energies, etc.). The combination of accuracy and good scaling behavior makes DMC a promising approach. Despite the success of DMC only a few systematical studies about the accuracy and limitations of DMC have yet been performed. Benchmark calculations are a standard approach to check the accuracy of a method. A benchmark set of molecules referred to as the G1 set is often used to test new theoretical methods. For this set of molecules very accurate energies (e.g. atomization energies) are available. In this work systematical studies of calculating the atomization energies with all-electron-FN-DMC were performed. The question of suitable orbitals was investigated as well. Only a few all-electron-FN-DMC calculations for molecules containing second-row elements are available. The first systematical atomization energy all-electron-FN-DMC calculations of G2 set molecules containing second-row elements were performed. Since the FN-DMC method solves the Schrödinger equation exactly for given nodes the trial wave function plays an important role. The nodes of the trial wave function determine the accuracy of the method. To reduce the node location error the nodes of the trial wave function have to be improved. There are two possibilities to optimize trial wave functions: a direct and an indirect optimization of the nodes. J. Toulouse and C. J. Umrigar have recently developed an energy minimization scheme that allows optimization of Jastrow, CI and orbital parameters of the trial wave function (indirect optimization of the nodes). A task in this work was the implementation of this energy minimization scheme in the program Amolqc. The convergence behavior and the accuracy of this method ware investigated for several systems. A different approach toward optimization of the nodes is a direct optimization. The basic idea of this approach is to minimize the distance between the nodes of the trial wave function Ψ and the nodes of HΨ. This distance vanishes if the nodes of the trial wave function and the nodes of the exact wave function coincide. The goal of this work was the optimization of the trial wave functions of small molecules by direct optimization of the nodes. The results were compared to the results obtained by energy minimization