The design of TOPK inhibitors using structure-based pharmacophore modeling and molecular docking based on an MD-refined homology model

Molecular Diversity - The TOPK enzyme (also known as PBK) is a serine-threonine protein kinase that is rarely detected in normal tissues yet is found to be overexpressed and activated in a variety...     

Consolidation of composite cathodes with NCM and sulfide solid-state electrolytes by hot pressing for all-solid-state Li metal batteries

Journal of Solid State Electrochemistry - In this study, hot pressing was evaluated as a method of cell fabrication to increase the energy density of next-generation all-solid-state batteries with...     

Oxidation of methane to methanol with hydrogen peroxide in situ in the presence of glutathione-stabilized gold nanoclusters under mild conditions

Russian Chemical Bulletin - Oxidation of methane with a hydrogen-air mixture at 70 °C and a partial pressure of methane of 30 atm was studied. Water-soluble glutathione-stabilized nanoclusters...     

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...     

Application of advanced nuclear analytical techniques for the electrocatalyst's characterization: Paving the path for mechanistic investigations

As the application of electrocatalyst continues to expand, envisaging the hidden mechanisms occurring at various length scale affecting the catalytic efficiency became important. To enhance the stability of electrocatalyst and reduce the cost, it is of paramount importance to reveal the active site's dynamics (using in situ techniques for getting the real-time information) which directly affect the reactions such as oxygen evolution reaction, hydrogen evolution reaction, and so on. Since such reactions are crucial for many engineering and scientific applications, in situ characterization techniques are required, which could capture such reactions happening at a different length and time scale. This article analyzes the recent progress made in the field of electrocatalyst's characterization using in situ neutron techniques. The article also paves the future path and has delineated the future challenges involved in multiscale correlative techniques (e.g., neutron techniques in the combination of synchrotron or microscopic techniques) used for getting the multiscale (atomic to micrometer range) mechanistic information about the electrocatalyst's working and degradation.     

Special Issue: 18th International conference on mathematical optimization theory and operations research (MOTOR 2019)

Journal of Global Optimization -     

Regularities of Structure Formation in AA2024 Alloy During High-Intensity Plastic Deformation Under Conditions of Adhesion-Diffusion Friction Interaction

Russian Physics Journal - The results of model experimental studies of structural-phase changes in an AA2024 aluminum alloy after friction with a counter-body of a complex configuration are...     

On New Functional Characteristics of Domains $$\Omega\in\mathbb R^n$$

Mathematical Notes - A system of new differential-geometric notions as the result of an analysis of the Trudinger–Wang inequalities is proposed. Their naturalness in multivariate analysis and...     

Set-theoretical solutions of the Zamolodchikov tetrahedron equation on associative rings and Liouville integrability

Theoretical and Mathematical Physics - This paper is devoted to tetrahedron maps, which are set-theoretical solutions of the Zamolodchikov tetrahedron equation. We construct a family of tetrahedron...