Phase Transitions in the Diluted Two-Dimensional Potts Model with the Number of Spin States q = 3 on a Square Lattice

Physics of the Solid State - The phase transitions in the two-dimensional diluted Potts model with the number of spin states q = 3 are studied by computer simulation method. The systems...     

Determination of Vardenafil in Pure and Dosage Forms by Spectrophotometry

Journal of Applied Spectroscopy - Three simple, sensitive, precise, and rapid spectrophotometric methods are developed and optimized for the assay of vardenafil in pharmaceutical formulations. The...     

Determination of Polycyclic Aromatic Hydrocarbons in Soils and Bottom Sediments by Gas Chromatography–Mass Spectrometry with QuEChERS Sample Preparation

Journal of Analytical Chemistry - The work is dedicated to the determination of polyaromatic hydrocarbons (PAHs) in soils and bottom sediments by gas chromatography–mass spectrometry using...     

Quantum Key Distribution with Untrusted Detectors Accessible to an Eavesdropper

JETP Letters - A simple fundamental modification of quantum key distribution protocols has been proposed: it is not required to protect the results of avalanche detectors from an eavesdropper, but...     

On Laser-Induced High-Order Wave Mixing and Harmonic Generation in a Graphene Quantum Dot

JETP Letters - We present results of numerical investigations of high-order wave mixing/harmonic generation (HWM/HHG) with many-body interaction processes derived by a strong two-frequency circular...     

Superior diffusion kinetics and electrochemical properties of α/β–type NaMn0.89Co0.11O2 as cathode for sodium-ion batteries

Journal of Solid State Electrochemistry - Sodium-ion batteries have emerged as an exciting alternative to commercially dominant lithium-ion batteries for electric vehicles and other applications....     

Magnetoresistance and Quantum Oscillations in WTe2 Semimetal

Physics of the Solid State - The discovery of extreme magnetoresistance (MR) in nonmagnetic materials attracted attention to WTe2 semimetal. We studied MR in a single crystal of tungsten...     

Supramolecular Arrangement and DFT analysis of Zinc(II) Schiff Bases: An Insight towards the Influence of Compartmental Ligands on Binding Interaction with Protein

We report, for the first time, a detailed crystallographic study of the supramolecular arrangement for a set of zinc(II) Schiff base complexes containing the ligand 2,6-bis((E)-((2-(dimethylamino)ethyl)imino)methyl)-4-R-phenol], where R=methyl/tert-butyl/chloro. The supramolecular study acts as a pre-screening tool for selecting the compartmental ligand R of the Schiff base for effective binding with a targeted protein, bovine serum albumin (BSA). The most stable hexagonal arrangement of the complex [Zn − Me] (R=Me) stabilises the ligand with the highest FMO energy gap (ΔE=4.22 eV) and lowest number of conformations during binding with BSA. In contrast, formation of unstable 3D columnar vertebra for [Zn − Cl] (R=Cl) tend to activate the system with lowest FMO gap (3.75 eV) with highest spontaneity factor in molecular docking. Molecular docking analyses reported in terms of 2D LigPlot+ identified site A, a cleft of domains IB, IIIA and IIIB, as the most probable protein binding site of BSA. Arg144, Glu424, Ser428, Ile455 and Lys114 form the most probable interactions irrespective of the type of compartmental ligands R of the Schiff base whereas Arg185, Glu519, His145, Ile522 act as the differentiating residues with ΔG=−7.3 kcal mol⁻¹.     

OntoMathPRO: An Ontology of Mathematical Knowledge

Doklady Mathematics - The article describes OntoMathPRO, the first Linked Open Data ontology of professional mathematical knowledge. The ontology is designed to represent mathematical concepts. The...     

Microextraction of 17-β-Estradiol from Medicinal Preparations for the Subsequent Determination by HPLC-UV

Journal of Analytical Chemistry - A method is proposed for the chromatographic determination of 17-β-estradiol in medicinal preparations with the microextraction of the analyte from a sample...