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Crystal structure, Hirshfeld surface analysis, computational and antifungal studies of dihydropyrimidines on the basis of salicylaldehyde derivatives
(2023)
We herein reported the synthesis of dihydropyrimidines 1 and 2 on the basis of nitro and brominated salicylaldehyde derivatives
by Biginelli reaction in microwave conditions in the presence of cheap low toxic copper ...
Enhanced Method for the Synthesis and Comprehensive Characterization of 1‑(4-Phenylquinolin-2-yl)propan-1-one
(2023)
We present an enhanced method for synthesizing a
novel compound, 1-(4-phenylquinolin-2-yl)propan-1-one (3),
through the solvent-free Friedländer quinoline synthesis using
poly(phosphoric acid) as an assisting agent. ...
Optimization, spectral characterization, QSAR, and molecular docking analyses of newly designed boron compounds
(2023)
In silico analyses of new designed boron compounds were done in detail. In this study, a total of 110 compounds were
investigated and optimized at B3LYP-D3/6-31G(d) level in the water. There are two compound groups in ...
Molecular docking and A DFT study on the antiradical activity of naringenin and hesperetin with nitric oxide, peroxy, and methoxy radicals
(2023)
Naturally occurring flavonoids, naringenin (N) and hesperetin (H), weretheoretically investigated for their ability to scavenge nitric oxide, peroxy,and methoxy radicals in gas, water, and benzene solvent ...