Curved planar quantum wires with Dirichlet and Neumann boundary conditions

We investigate the discrete spectrum of the Hamiltonian describing a quantum particle living in the two-dimensional curved strip. We impose the Dirichlet and Neumann boundary conditions on opposite sides of the strip. The existence of the discrete eigenvalue below the essential spectrum threshold depends on the sign of the total bending angle for the asymptotically straight strips.Comment: 7 page

Gravitational traces of bumblebee gravity in metric-affine formalism

This work explores various manifestations of bumblebee gravity within the metric--affine formalism. We investigate the impact of Lorentz violation parameter, denoted as $X$, on the modification of the \textit{Hawking} temperature. Our calculations reveal that as $X$ increases, the values of the \textit{Hawking} temperature attenuate. To examine the behavior of massless scalar perturbations, specifically the \textit{quasinormal} modes, we employ the WKB method. The transmission and reflection coefficients are determined through our calculations. The outcomes indicate that a stronger Lorentz--violating parameter results in slower damping oscillations of gravitational waves. To comprehend the influence of the \textit{quasinormal} spectrum on time--dependent scattering phenomena, we present a detailed analysis of scalar perturbations in the time--domain solution. Additionally, we conduct an investigation on shadows, revealing that larger values of $X$ correspond to larger shadow radii. Lastly, we explore the concept of time delay within this framework.Comment: 29 pages and 7 figure

Astrocytic Ion Dynamics: Implications for Potassium Buffering and Liquid Flow

We review modeling of astrocyte ion dynamics with a specific focus on the implications of so-called spatial potassium buffering, where excess potassium in the extracellular space (ECS) is transported away to prevent pathological neural spiking. The recently introduced Kirchoff-Nernst-Planck (KNP) scheme for modeling ion dynamics in astrocytes (and brain tissue in general) is outlined and used to study such spatial buffering. We next describe how the ion dynamics of astrocytes may regulate microscopic liquid flow by osmotic effects and how such microscopic flow can be linked to whole-brain macroscopic flow. We thus include the key elements in a putative multiscale theory with astrocytes linking neural activity on a microscopic scale to macroscopic fluid flow.Comment: 27 pages, 7 figure

NLTE models of line-driven stellar winds I. Method of calculation and first results for O stars

New numerical models of line-driven stellar winds of late O stars are presented. Statistical equilibrium (NLTE) equations of the most abundant elements are solved. Properly obtained occupation numbers are used to calculate consistent radiative force and radiative heating terms. Wind density, velocity and temperature are calculated as a solution of model hydrodynamical equations. Contrary to other published models we account for a multicomponent wind nature and do not simplify the calculation of the radiative force (e.g. using force multipliers). We discuss the convergence behaviour of our models. The ability of our models to predict correct values of mass-loss rates and terminal velocities of selected late O stars (mainly giants and supergiants) is demonstrated. The systematic difference between predicted and observed terminal velocities reported in the literature has been removed. Moreover, we found good agreement between the theoretical wind momentum-luminosity relationship and the observed one for Cyg OB2 supergiants.Comment: Accepted for publication in A&A. 17 page

The effect of tightly-bound water molecules on scaffold diversity in computer-aided de novo ligand design of CDK2 inhibitors

We have determined the effects that tightly bound water molecules have on the de novo design of cyclin-dependent kinase-2 (CDK2) ligands. In particular, we have analyzed the impact of a specific structural water molecule on the chemical diversity and binding mode of ligands generated through a de novo structure-based ligand generation method in the binding site of CDK2. The tightly bound water molecule modifies the size and shape of the binding site and we have found that it also imposed constraints on the observed binding modes of the generated ligands. This in turn had the indirect effect of reducing the chemical diversity of the underlying molecular scaffolds that were able to bind to the enzyme satisfactorily