Computational insights into allosteric inhibition of focal adhesion kinase: A combined pharmacophore modeling and molecular dynamics approach.

Focal adhesion kinase (FAK) is a non-receptor tyrosine kinase that modulates integrin and growth factor signaling pathways and is implicated in cancer cell migration, proliferation, and survival. Over the past decade various, FAK kinase, FERM, and FAT domain inhibitors have been reported and a few kinase domain inhibitors are under clinical consideration. However, few of them were identified as multikinase inhibitors.

Sesquiterpenoids and hexanorcucurbitacin from agarwood with anti-inflammatory effects by inhibiting the STAT1/AKT/MAPK/NLRP3 pathway.

Seven unknown compounds 1-7, including four sesquiterpenoids, one azulene-type, one indene-type, and one rare hexanorcucurbitacin, together with eleven knowns ones (8-16), were isolated from the agarwood chips of . The structures of the isolated compounds were elucidated by extensive spectroscopic methods such as mass spectrometry, UV, IR, NMR spectroscopy. The precise stereo-chemical configurations of new compounds were determined by calculated ECD spectra data, as well as a single-crystal X-ray diffraction analysis.

Redox active pyridine-3,5-di-carboxylate- and 1,2,3,4-cyclopentane tetra-carboxylate-based cobalt metal-organic frameworks for hybrid supercapacitors.

In the pursuit of developing superior energy storage devices, an integrated approach has been advocated to harness the desirable features of both batteries and supercapacitors, particularly their high energy density, and high-power density. Consequently, the emergence of hybrid supercapacitors has become a subject of increasing interest, as they offer the potential to merge the complementary attributes of these two technologies into a single device, thereby surpassing the limitations of conventional energy storage systems. In this context the Metal-Organic Frameworks (MOFs), consisting of metal centers and organic linkers, have emerged as highly trending materials for energy storage by virtue of their high porosity.

Transition metal dichalcogenide electrodes with interface engineering for high-performance hybrid supercapacitors.

Transition metal dichalcogenides (TMDCs) have been explored in recent years to utilize in electronics due to their remarkable properties. This study reports the enhanced energy storage performance of tungsten disulfide (WS) by introducing the conductive interfacial layer of Ag between the substrate and active material (WS). The interfacial layers and WS were deposited through a binder free method of magnetron sputtering and three different prepared samples (WS and Ag-WS) were scrutinize electrochemical measurements.

Exploring MOF-199 composites as redox-active materials for hybrid battery-supercapacitor devices.

Metal-organic frameworks (MOFs) have emerged as intriguing porous materials with diverse potential applications. Herein, we synthesized a copper-based MOF (MOF-199) and investigated its use in energy storage applications. Methods were adapted to intensify the electrochemical characteristics of MOF-199 by preparing composites with graphene and polyaniline (PANI).

Reconfigurable carrier type and photodetection of MoTe of various thicknesses by deep ultraviolet light illumination.

Tuning of the Fermi level in transition metal dichalcogenides (TMDCs) leads to devices with excellent electrical and optical properties. In this study, we controlled the Fermi level of MoTe by deep ultraviolet (DUV) light illumination in different gaseous environments. Specifically, we investigated the reconfigurable carrier type of an intrinsic p-MoTe flake that gradually transformed into n-MoTe after illumination with DUV light for 30, 60, 90, 120, 160, 250, 500, 900, and 1200 s in a nitrogen (N) gas environment.

Formation of cubic perovskite alloy containing the ammonium cation of 2D perovskite for high performance solar cells with improved stability.

The perovskite solar cells have demonstrated to be strong competitors for conventional silicon solar cells due to their remarkable power conversion efficiency. However, their structural instability is the biggest obstacle to commercialization. To address these issues, we prepared (CHNH) (HC(NH)) PbI (CHNH = MA, HC(NH) = FA) perovskite alloys that contain ethylammonium (EA, CHCHNH ) and benzylammonium (BA, CHCHNH ) cations with no new additional two-dimensional (2D) perovskite phases.

A novel MnO-CrN nanocomposite based non-enzymatic hydrogen peroxide sensor.

A MnO-CrN composite was obtained the ammonolysis of the low-cost nitride precursors Cr(NO)·9HO and Mn(NO)·4HO at 800 °C for 8 h using a sol-gel method. The specific surface area of the synthesized powder was measured BET analysis and it was found to be 262 m g. Regarding its application, the electrochemical sensing performance toward hydrogen peroxide (HO) was studied applying cyclic voltammetry (CV) and amperometry (-) analysis.

Graphite as a Long-Life Ca-Intercalation Anode and its Implementation for Rocking-Chair Type Calcium-Ion Batteries.

Herein, graphite is proposed as a reliable Ca-intercalation anode in tetraglyme (G). When charged (reduced), graphite accommodates solvated Ca-ions (Ca-G) and delivers a reversible capacity of 62 mAh g that signifies the formation of a ternary intercalation compound, Ca-G·C. Mass/volume changes during Ca-G intercalation and the evolution of in operando X-ray diffraction studies both suggest that Ca-G intercalation results in the formation of an intermediate phase between stage-III and stage-II with a gallery height of 11.

Simple and Precise Quantification of Iron Catalyst Content in Carbon Nanotubes Using UV/Visible Spectroscopy.

Iron catalysts have been used widely for the mass production of carbon nanotubes (CNTs) with high yield. In this study, UV/visible spectroscopy was used to determine the Fe catalyst content in CNTs using a colorimetric technique. Fe ions in solution form red-orange complexes with 1,10-phenanthroline, producing an absorption peak at λ=510 nm, the intensity of which is proportional to the solution Fe concentration.