Temperature promotes selectivity during electrochemical CO reduction on NiO:SnO nanofibers.

Electrolyzers operate over a range of temperatures; hence, it is crucial to design electrocatalysts that do not compromise the product distribution unless temperature can promote selectivity. This work reports a synthetic approach based on electrospinning to produce NiO:SnO nanofibers (NFs) for selectively reducing CO to formate above room temperature. The NFs comprise compact but disjoined NiO and SnO nanocrystals identified with STEM.

Hf-Based MOF for Rapid and Selective Sensing of a Nerve Agent Simulant and an Aminophenol: Insights from Experiments and Theory.

The metal-organic framework (MOF) Hf-DUT-52 was prepared with diamino functionality by the solvothermal method. This material displayed fluorometric sensing ability toward a nerve agent simulant (diethyl chlorophosphate (DCP)) and 3-diethylaminophenol (3-DEAP). It is the first-ever reported fluorescent MOF sensor for DCP and 3-DEAP.

Elucidation of Structure-Activity Relations in Proton Electroreduction at Pd Surfaces: Theoretical and Experimental Study.

The structure-activity relationship is a cornerstone topic in catalysis, which lays the foundation for the design and functionalization of catalytic materials. Of particular interest is the catalysis of the hydrogen evolution reaction (HER) by palladium (Pd), which is envisioned to play a major role in realizing a hydrogen-based economy. Interestingly, experimentalists observed excess heat generation in such systems, which became known as the debated "cold fusion" phenomenon.

Identification, ADMET evaluation and molecular docking analysis of Phytosterols from Banaba (a ()) seed extract against breast cancer.

 (L.) Pers., (Lythraceae), commonly called Banaba, is a native plant of Southeast Asia and is widely used in the treatment of diabetics, obesity, kidney diseases, and other inflammatory disorders.

Piperazine-substituted derivatives of favipiravir for Nipah virus inhibition: What do in silico studies unravel?

Unlabelled: Favipiravir is found to show excellent in-vitro inhibition activity against Nipah virus. To explore the structure-property relationship of Favipiravir, in silico designing of a series of piperazine substituted Favipiravir derivatives are attempted and computational screening has been done to evaluate its bimolecular interactions with Nipah virus. The geometrical features of all the molecules have been addressed from Density Functional Theory calculations.