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Now showing items 21-29 of 29
[Cu 2 (ox)(dien) 2 ](NO 3 ) 3 , a precursor for preparation of CuO nanoparticles: Synthesis, structural, Hirshfeld surface analyses, and physico-chemical investigations
(2023)
[C u 2 ( ox )( dien ) 2 ](NO 3 ) 3 with (ox = oxalate, dien = diethylenetriamine) has been synthesized and charac- terized by single-crystal X-ray diffraction as well as FTIR and UV–Vis spectroscopic techniques. The complex ...
New azo-azomethine based copper(II) and zinc(II) complexes: Synthesis, electrochemistry, photoluminescence properties, density functional theory calculations and molecular docking
(2023)
A new bidentate azo-azomethine ligand 2-{(E)-[(3,4-dimethylphenyl) imino]methyl}-4-[(E)-(4-ethylphenyl)diazenyl]
phenol (2) and its copper(II) and zinc(II) complexes (3) and (4) were synthesized and characterized by
elemental ...
Eaton's reagent is an alternative of PPA: Solvent free synthesis, molecular docking and ADME studies of new angular and linear carbazole based naphtho naphthyridines
(2023)
An approach towards the preparation of novel angular and linear carbazole based naphtho naphthyridines
are described in good yields. From schematic study on the condensation of 4-chloro-2-
methylbenzo[h]quinoline and ...
Crystal Structure, Hirshfeld Surface Analysis, In-Silico and Antimycotic Investigations of Methyl 6-methyl-4-(4- nitrophenyl)-2-oxo-1,2-dihydropyrimidine-5-carboxylate
(2023)
Herein, we report the preparation of methyl 6-methyl-4-(4-nitrophenyl)-2-oxo-1,2-
dihydropyrimidine-5-carboxylate 2, obtained by the regioselective oxidative dehydrogenation of
the dihydropyrimidine derivative 1 in the ...
Corrosion inhibition of Carbon Steel using a new morpholine-based ligand during acid pickling: Experimental and theoretical studies
(2023)
Here, a novel, relatively inexpensive Schiff base ligand (HL) has been studied as a corrosion inhibitor for the
protection of steel in acidic solution. Different concentrations (0–25 ppm) of HL were added to the test ...
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 ...