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ABX3 (X = O) perovskite oxides are an uprising class of alternative electrocatalysts in eminent technologies like electrocatalysis, photocatalysis, thermocatalysis, and energy storage. The perquisites of perovskite oxide catalysts encompass ordered atomic structure, structural/compositional extensibility, flexible electronic structure, lucrativeness, and so on. The ingenuity to precisely control and tune the inherent properties by reconstructing their crystal structure is particularly advantageous in electrocatalysis reactions like oxygen reduction and evolution reactions (ORR and OER). Incorporating multidimensional imperfections in the presumably perfect crystal structure of the perovskite catalysts is garnering booming attention among researchers. This concept can expertly influence the electronic structure and boost the reaction kinetics during electrocatalysis. Defects or imperfections are achieved by substituting A‐ and/or B‐sites with heteroatoms or by oxygen vacancies. Defect engineering points to a promising new direction in the development of perovskite oxide catalysts. This work surveys the recent progress in defect engineering and how it plays a vital role in their design, and application in electrocatalysis, mainly ORR/OER. The architecture, dimensionality, and the types of perovskite oxides based on their cations, crystal structures, and stoichiometries are surveyed for a comprehensive understanding. This review aims to provide an extensive outlook on oxide perovskite catalysts concerning structural defects.

PKM2 (Pyruvate kinase M2) is the isoform of pyruvate kinase which is known to catalyse the last step of glycolysis that is responsible for energy production. This specific isoform is known to be highly expressed in certain cancerous conditions. Considering the role of this protein in various cancer conditions, we used PKM2 as a target protein to identify the potential compounds against this target. In this study, we have examined 96 compounds of Zanthoxylum armatum using an array of computational and in silico tools. The compounds were assessed for toxicity then their anticancer potential was predicted. The virtual screening was done with molecular docking followed by a detailed examination using molecular dynamics simulation. The majority of the compounds showed a higher probability of being antineoplastic. Based on toxicity, predicted anticancer potential, binding affinity, and binding site, three compounds (nevadensin, asarinin, and kaempferol) were selected as hit compounds. The binding energy of these compounds with PKM2 ranged from −7.7 to −8.3 kcal/mol and all hit compounds interact at the active site of the protein. The selected hit compounds formed a stable complex with PKM2 when simulated under physiological conditions. The dynamic analysis showed that these compounds remained attached to the active site till the completion of molecular simulation. MM-PBSA analysis showed that nevadensin exhibited a higher affinity towards PKM2 compared to asarinin and kaempferol. These compounds need to be assessed properties in vivo and in vitro to validate their efficacy.

In the current research work, Ni0.2Co2.8O4 and Ni0.2Co2.8/MWCNTs have been synthesized via facile sol-gel and wet impregnation method. The synthesized materials attained the crystalline structures as evident from X-ray diffraction analysis (XRD). The uniform morphology and well dispersion of Ni0.2Co2.8O4 onto MWCNTs was observed via scanning electron microscopy (SEM). The electrochemical investigations for supercapacitor application by cyclic voltammetry (CV), galvanostatic charge discharge (GCD), and electrochemical impedance spectroscopy (EIS) revealed that, among both materials, Ni0.2Co2.8O4/MWCNTs has high specific capacitance (CV; 505.8 Fg-1 at 5 mV/s, GCD; 1598 Fg-1 at 0.5 A/g), greater capacitance retention (85 %) at 1000 cycles and has lower charge transfer resistance (Rct; 3.48 Ω cm2). These findings reflected the potential candidacy of Ni0.2Co2.8O4/MWCNTs to be used as anode material in supercapacitor. Further investigations by CV and linear sweep voltammetry (LSV) for oxygen evolution reaction (OER) activity in 1.0 M KOH showed comparatively low over potential of 340 mV @100 mA/cm2 for the same integrated material. Additionally, the lower Tafel slope (47 mV/dec) and solution resistance authenticated it as an appropriate electrocatalyst for OER in water splitting. The CPE (controlled potential electrolysis) revealed the stability of both materials for OER in water oxidation.