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QM/MM Studies of Nitrogenase

Nitrogenase is the only enzyme that can cleave the strong triple bond in N2, making nitrogen available for biological life. Despite extensive research, the mechanism of nitrogen fixation by nitrogenase is not fully understood, partly due to the enzyme’s complex structure, which includes the largest iron–sulfur cluster known in metalloenzymes, the FeMo cluster. Understanding this process requires t

Large-Eddy Simulations of Thermal Ribbed Duct Flows

Ribbed channel flows are encountered in numerous engineering applications to promote turbulence and enhance heat transfer in various cooling passages, e.g., in turbine blades and at combustor walls. Numerical simulations have become an increasingly useful tool for providing insights into complex turbulence and flow separation, which are critical to the design and optimization of such channels. In

An efficient method to establish electrostatic screening lengths of restricted primitive model electrolytes

We present a novel, and computationally cheap, way to estimate electrostatic screening lengths from simulations of restricted primitive model (RPM) electrolytes. We demonstrate that the method is accurate by comparisons with simulated long-ranged parts of the charge density, at various Bjerrum lengths, salt concentrations and ion diameters. We find substantial underscreening in low dielectric solv

Social media platforms for politics : A comparison of Facebook, Instagram, Twitter, YouTube, Reddit, Snapchat, and WhatsApp

Citizens have increasingly diversified their use of social media platforms, raising questions about which platforms are adopted and for what purposes. We use survey data from four countries (Canada, France, the United States, and the United Kingdom) gathered in 2019 and 2021 (n = 12,302) about Facebook, YouTube, Instagram, Twitter, Reddit, Snapchat, and WhatsApp. Political ideology predicts the ad

Left ventricular dysfunction in pulmonary arterial hypertension is attributed to underfilling rather than intrinsic myocardial disease : a CMR 2D phase contrast study

The pathophysiology underlying impaired LV function in PAH remains unclear, with some studies implicating intrinsic myocardial dysfunction and others pointing to LV underfilling. Evaluation of pulmonary vein area (PVA) and flow may offer novel, mechanistic insight by distinguishing elevated LV filling pressure common in myocardial dysfunction from LV underfilling. This study aimed to elucidate LV

Antisemitismus auf social media und anderen online-plattformen : Ausmaß und kontext

Bisher gibt es kaum Forschung zu digitalen Formen und der Verbreitung von Antisemitismus. Wie in diesem Band gezeigt wird, nimmt jedoch das akademische Interesse an Antisemitismus in sozialen Medien zu. Der Großteil des vorhandenen Wissens zu diesem Thema stammt hauptsächlich aus zwei Arten von Forschung. Bei der ersten handelt es sich um Berichte von Nichtregierungs- und Regierungsstellen, bei de

Controlling the Diabetic Body? Managing Chronic Illness with Wearable Technology

I explore the experience of managing type 1 diabetes with wearable technology. Type 1 diabetes is a chronic illness which requires continuous maintenance to keep the blood glucose levels within range. Using autoethnography, I investigate both the practices of translating information from technology and from senses, and also from health authorities, into practices. I conclude that the management of

Parallel vector memories in the brain of a bee as foundation for flexible navigation

Insects rely on path integration (vector-based navigation) and landmark guidance to perform sophisticated navigational feats, rivaling those seen in mammals. Bees in particular exhibit complex navigation behaviors including creating optimal routes and novel shortcuts between locations, an ability historically indicative of the presence of a cognitive map. A mammalian cognitive map has been widely

Formation of transfermium elements in reactions with 208Pb

Within the Langevin framework, we investigate the dynamics of the fusion process for production of transfermium elements in reactions of 48Ca, 50Ti, 54Cr, and 58Fe with 208Pb. After the reacting nuclei have made contact, the early dynamical stage is dominated by the dissipation of the initial radial kinetic energy, while the subsequent shape evolution is diffusive. The probability for surmounting

Securing Industry 4.0: Assessing Cybersecurity Challenges and Proposing Strategies for Manufacturing Management

Industry 4.0 represents the foundation of the fourth industrial revolution, characterised by the integration of innovative technology into the manufacturing process. This integration enhances automation, diagnostics, data analysis, and autonomous decision-making through the networking of equipment and machinery. However, the increased reliance on technology raises concerns about the implementation

Plasma-assisted NH3/air flame : Simultaneous LIF measurements of O and OH

In the emerging field of plasma-assisted ammonia (NH3) combustion, the evolution of key intermediate species has rarely been reported. This work establishes a simultaneous measurement system of laser-induced fluorescence (LIF) for hydroxyl (OH) and quantitative two-photon-absorption LIF for atomic oxygen (O), to explore the OH and O dynamics in an NH3/air flame affected by a nanosecond (ns) pulsed

Dynamics of atomic oxygen production in an NH3/air flame assisted by a nanosecond pulsed plasma discharge

Atomic oxygen (O) is vital in plasma-assisted combustion, but its quantitative measurement is challenging and therefore rarely reported. This work performs femtosecond two-photon-absorption laser-induced fluorescence (fs-TALIF) imaging to quantify the dynamics of atomic oxygen production by a single nanosecond (ns) pulsed plasma discharge in an ammonia/air flame for the first time. First of all, t

Holistic analysis of a gliding arc discharge using 3D tomography and single-shot fluorescence lifetime imaging

Gliding arc plasmas, a versatile form of non-thermal plasma discharges, hold great promise for sustainable chemical conversion in electrified industrial applications. Their relatively high temperatures compared to other non-thermal plasmas, reactive species generation, and efficient energy transfer make them ideal for an energy-efficient society. However, plasma discharges are transient and comple

In Situ Ambient Pressure Photoelectron Spectroscopy Study of the Plasma-Surface Interaction on Metal Foils

The plasma–surface interface has sparked interest due to its potential of creating alternative reaction pathways not available in typical gas–surface reactions. Currently, there are a limited number of in situ studies investigating the plasma–surface interface, restricting the development of its application. Here, we report the use of in situ ambient pressure X-ray photoelectron spectroscopy in ta

Working with AIoT Solutions in Embedded Software Applications. Recommendations, Guidelines, and Lessons Learned

This chapter aims to be a broad introduction for embedded systems professionals that wish to add machine learning to traditional embedded software. It briefly describes the foundation for a stable and secure IoT communication platform, touching on important areas such as the MQTT protocol and data extraction. The discussion is based on a case study for a digitalized marine vessel, and focuses on gThis chapter aims to be a broad introduction for embedded systems professionals that wish to add machine learning to traditional embedded software. It briefly describes the foundation for a stable and secure IoT communication platform, touching on important areas such as the MQTT protocol and data extraction. The discussion is based on a case study for a digitalized marine vessel, and focuses on g

Mitochondria-DNA copy-number in osteoporosis and osteoarthritis among middle-aged women - A population-based cohort study

Background: Mitochondrial DNA copy number (mtDNA-CN) is associated with aging. A relationship between mtDNA-CN and degenerative disorders, e.g. osteoarthritis (OA) and osteoporosis (OP), has been suggested. We aimed to investigate the relationship of mtDNA-CN and incident OA and OP. Materials and methods: MtDNA-CN was studied in relationship to incident OA and OP in a population-based cohort study

Futureless futures : Reflections on life in doomed places in Nordic countries

Across the scholarly and journalistic literature, an increasing sense of future uncertainty and prevailing sense of dread is being narrated. This unsettling sense of futurelessness seems to cut across scales in that globally unfolding menaces also shape lived experience locally in specific sites, where global risks intersect with local hazardousness of place. In this chapter, we reflect on how a s