Quantum cluster equilibrium theory (QCE) has been widely used to determine the properties of pure and binary mixture of liquids. The main limitation of the application of QCE is the exploration of different possible clusters formed by the solvent molecules. Therefore, in this study, we applied the QCE theory to predict liquid properties of ethanol after thorough exploration of the potential energy ...

Introduction: Offshore wind energy development (OWED) has been identified as a major contributor to the aspired growth in Norwegian renewable energy production. Spatially explicit vulnerability assessments are necessary to select sites that minimize the harm to biodiversity, including seabird populations. Distributional data of seabirds in remote areas are scarce, and to identify vulnerable areas, ...

The increasing use of pharmaceutical medications has significantly negative repercussions on the environment and human health. Here, a hydrothermal technique was employed to generate a single-crystalline molybdenum trioxide (MoO3)/functionalized multi-walled carbon nanotubes (MoO3/f-MWCNTs) nanocomposite that was then used as a novel electrode material for the electrochemical detection of phenothiazine ...

The usage of a ytterbium oxide nanorod/carbon nanofiber (Yb₂O₃/f-CNF) hybrid nanocomposite for the electrochemical detection of carbendazim (CBZ) fungicide is demonstrated for the first time in this study. Various physicochemical methods such as Field Emission Scanning Electron Microscopy (FE-SEM), Transmission electron microscopy (TEM), and X-ray diffraction (XRD) spectroscopy ...

We study spectral graph convolutional neural networks (GCNNs), where filters are defined as continuous functions of the graph shift operator (GSO) through functional calculus. A spectral GCNN is not tailored to one specific graph and can be transferred between different graphs. It is hence important to study the GCNN transferability: the capacity of the network to have approximately the same ...

Background: Computer-assisted clinical coding (CAC) tools are designed to help clinical coders assign standardized codes, such as the ICD-10 (International Statistical Classification of Diseases, Tenth Revision), to clinical texts, such as discharge summaries. Maintaining the integrity of these standardized codes is important both for the functioning of health systems and for ensuring data used ...

Background Bats are a reservoir for many viruses causing haemorrhagic fevers. Proximity to bats is a risk factor for virus spillover to animals and humans. We conducted this study to assess knowledge, perceptions, and exposure to bats in communities living near bat roosts in Bundibugyo District, Uganda.<p> <p>Methods A cross-sectional study using mixed methods with both quantitative and qualitative ...

Da Fridtjof Nansen døde i 1930, skrev Nordahl Grieg hjem til sin bror Harald Grieg: «For et eventyrlig liv som er forbi, det var jo ikke én stor mand som døde, det var ti». Nansens brede virke, hans mange evner, hans tilstedeværelse i store hendelser gir alt et voldsomt inntrykk – og har gitt ham mange merkelapper: vitenskapsmann, polfarer, kunstner, diplomat, filantrop, for å nevne noen. <p> <p>Det ...

The PARP1 (Poly (ADP-ribose) polymerase 1) enzyme is essential for single and double-strand break repair in humans. Alterations affecting PARP1 activity have severe consequences for human health and are associated with pathologies like cancer, and metabolic and neurodegenerative disorders. Here, we have developed a fast and easy procedure for the expression and purification of PARP1. Biologically ...

Despite its potential importance, the computational chemistry of adsorption processes for wastewater treatment has received negligible attention. Exploring the literature shows several limitations in applying quantum chemistry to study adsorption processes in wastewater treatment. The choice of suitable functionals of density functional theory (DFT) is one of the critical limits of the current ...