Effect of High Pressures on the Formation of New Compounds in the Al86Ni2Co6Gd6 Alloy

Physics of the Solid State - Using the X-ray diffraction and electron microscopy methods, the structure and the elemental and phase compositions of hypereutectic alloy Al86Ni2Co6Gd6 (hereinafter,...     

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 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...     

Finite-sample properties of estimators for first and second order autoregressive processes

Statistical Inference for Stochastic Processes - The class of autoregressive (AR) processes is extensively used to model temporal dependence in observed time series. Such models are easily...     

Infrared Reflection Spectra of (FeIn2S4)x∙(In2S3)1–x Solid Solutions

Journal of Applied Spectroscopy - IR reflectance spectroscopy at 50–450 cm–1 was used to study homogeneous monocrystals of (FeIn2S3)x?(In2S3)1–x grown by the method of...     

Intermetallic Compounds CsnMk (М = Na,K, Rb,Pt, Au,Hg, Te): Geometrical and Topological Analysis,Cluster Precursors,and Self-Assembly of Crystal Structures

Crystallography Reports - A geometrical and topological analysis has been performed, and self-assembly of the crystal structures of intermetallic compounds CsnMk (М = Na, K, Rb, Pt, Au, Hg,...     

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...     

Advances in rapid and effective break-in/conditioning/recovery of automotive PEMFC stacks

Automotive proton exchange membrane fuel cell stacks need to meet manufacturer specified rated beginning-of-life (BOL) performance before being assembled into vehicles and shipped off to customers. The process of “breaking-in” of a freshly assembled stack is often referred to as “conditioning.” It has become an intensely researched area especially in automotive companies, where imminent commercialization of fuel cell electric vehicles (FCEVs) demands a short, energy- and cost-efficient, and practical conditioning protocol. Significant advances in reducing the conditioning time from 1 to 2 days to as low as 4h or less, in some cases without the use of additional inert gases such as nitrogen, and with minimal use of hydrogen, and specialized test stations will be discussed.     

A New Radar-Signal Parameter for Recognition of Wind-Related Weather Hazards

Radiophysics and Quantum Electronics - Wind-related weather hazards remain difficult to recognize targets for weather radars. Methods that use estimates of the width of the reflected-signal...     

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.