Synthesis and model simulation of the hexagonal to circular transition of perovskite cesium lead halide nanosheets by rapidly changing the temperature.

Lead halide perovskites have emerged as promising optoelectronic materials due to their excellent efficiencies in photovoltaic and light-emitting applications. CsPbBr3 is a kind of all-inorganic perovskite that exhibits higher stability. Here, we report the synthesis of hexagonal and circular all-inorganic CsPbBr3 perovskite nanoplates by changing the reaction temperature. As time goes on, the different reaction temperatures play an important role in determining the shape and size. We use first-principles to explicate the formation of hexagonal nanoplates. Meanwhile, a model is built and the calculation of the properties is conducted. In brief, a method to directly and conveniently synthesize all-inorganic CsPbBr3 is proposed.

Correction: Synthesis and model simulation of the hexagonal to circular transition of perovskite cesium lead halide nanosheets by rapidly changing the temperature.

[This corrects the article DOI: 10.1039/C9RA10312K.].

Identification of novel scaffold of benzothiazepinones as non-ATP competitive glycogen synthase kinase-3ß inhibitors through virtual screening.

Glycogen synthase kinase-3ß (GSK-3ß) is an important serine/threonine kinase that has been proved as a key target for neurodegenerative diseases and diabetes. Up to date, most of known inhibitors are bound to the ATP-binding pocket of GSK-3ß, which might lead widespread effects due to the high homology between kinases. Recently, some of its non-ATP competitive inhibitors had been confirmed having therapeutical effects owing to their high selectivity. This finding opens a new pathway to study hopeful drugs for treatment of these diseases. However, it is still a challenge nowadays on how to efficiently find non-ATP competitors. Here, we successfully discovered a novel scaffold of benzothiazepinones (BTZs) as selective non-ATP competitive GSK-3ß inhibitors through virtual screening approach. A 3D receptor model of substrate binding site of GSK-3ß was constructed and applied to screen against drug-like Maybridge database through Autodock program. BTZ compounds were top ranked as efficient hits and were then synthesized for further screening. Among them, the representative compound 4j showed activity to GSK-3ß (IC(50): 25 µM) in non-ATP competitive mechanism, and nearly no inhibitory effect on other 10 related protein kinases. Overall, the results point out that BTZ compounds might be useful in treatment of Alzheimer's disease and diabetes mellitus as novel GSK-3ß inhibitors. It also suggests, on the other hand, that virtual screening would provide a valuable tool in combination with in vitro assays for the identification of novel selective and potent inhibitors.