Density Profiles in a Quantum Coulomb Fluid Near a Hard Wall

Journal of Statistical Physics - Equilibrium particle densities near a hard wall are studied for a quantum fluid made of point charges which interact via Coulomb potential without any...     

Growth of hexagonal quantum dots under preferential evaporation

We perform numerical simulations of hexagonal quantum dots of AlGaN semiconductors. We show that the competition between surface mass diffusion and evaporation rules the morphology of the quantum dots. The system displays three different behaviors: presence of separated islands without a wetting layer, islands dissolving into the wetting layer, or islands that do not evolve. The first behavior is of special interest because its optoelectrical properties are significantly improved in comparison with quantum dots with a wetting layer.     

Pseudo-steady-state solutions for solidification in a wedge

Polubarinova-Kochina's analytical differential equation methodis used to determine the pseudo-steady-state solution to problemsinvolving the freezing (solidification) of wedges of liquidwhich are initially at their fusion temperature. In particular,we consider four distinct problems for wedges which are: freezingwith the same constant boundary temperature, freezing with thesame constant boundary heat fluxes, freezing with distinct constantboundary temperatures and freezing with distinct constant fluxesat the boundaries. For the last two problems, a Heun's differentialequation with an unknown singularity is derived, which in bothcases admits a particularly elegant simple solution for thespecial case when the wedge angle is . The moving boundariesobtained are shown pictorially.     

Classical and Quantum Algebraic Screening in a Coulomb Plasma near a Wall: A Solvable Model

The static position correlation in a quantum Coulomb plasma near a wall is studied by means of a model where two quantum charges are embedded in a classical plasma at equilibrium. Three kinds of walls are considered: a wall without electrostatic properties, a dielectric, and an ideal conductor. At large separations y along the wall, the correlation exactly decays as 1/y ³, though no algebraic tail exists for classical charges near an ideal conductor. This tail originates from thermal statistical and purely quantum fluctuations of polarization clouds which are deformed by the geometric constraint due to the wall and by the charges induced by influence inside a wall with electrical properties. The coefficient of the 1/y ³ tail can be calculated explicitly in a weak-coupling and low-delocalization regime. Then classical, diffraction, and purely quantum contributions are disentangled.     

Design,synthesis, antitubercular and antibacterial activities of pyrrolo[3,2-b]pyridine-3-carboxamide linked 2-methoxypyridine derivatives and in silico docking studies

Abstract

A novel series pyrrolo[3,2-b]pyridine-3-carboxamide linked 2-methoxypyridine derivatives have been designed, synthesized and confirmed by FT-IR, ¹H NMR, ¹³C NMR, ¹⁹F NMR, MS, and elemental analysis. The synthesized compounds were screened for their antitubercular activity using microplate alamar blue assay method and antibacterial activity. Among the tested compounds, 4- fluorophenyl (8m), 4- chlorophenyl (8n) and 4-methoxyphenyl (8i) showed potent anti-TB activity (3.12?µg/mL) in comparison with reference drug, Pyrazinamide ((3.12?µg/mL). In addition, all compounds were docked into DprE1 (PDB code: 4KW5) to explore their binding interactions at the active site. The compounds exhibited essential key interactions as that of reported DprE1 inhibitors and hence, the synthesized compounds may be considered as molecular scaffolds for antitubercular activity. Compounds, 4-chlorophenyl (8n) and 4-flurophenyl (8m) showed significant antibacterial activity against Escherichia coli and Staphylococcus aureus strains. In silico prediction of toxicities, druglikeness and drug score profiles of the tested compounds are promising.