A facile method for preparation of stabilized and functionalized nanoparticles (NPs) from magnetite by successive application of blended natural polymers (gelatin and λ–carrageenan) on Fe3O4 core has been developed. Gelatin plays a privileged role in the catalytic active sites and it is responsible for the enantiomeric induction. λ–carrageenan endowed chemical stability for immobilization of gelatin on Fe3O4 nanoparticles, thereby enhancing its stability and recoverability. The versatility of the modified NPs was proved by their excellent heterogeneous catalytic activity in one–pot, three–component Biginelli cyclocondensation reaction involving an aromatic aldehyde, urea, and ethyl acetoacetate (or Dimedone) to afford optically active corresponding dihydropyrimidinones in acceptable yields. This novel and green protocol has several advantages such as high efficiency, reusability of the catalyst, using inexpensive and available compounds for the catalyst.
Various spinel iron oxide nanoparticles (MFe2O4, M: Ca, Co, Cu, Fe, Hg, Mg, Mn, Ni, Sn and Zn) have been prepared using a single step coprecipitation method. Nanoparticles were characterized using XRD, FESEM, FT‐IR and UV‐Vis diffuse‐reflectance spectroscopy. The catalytic activities of the synthesized nanoparticles in Hantzsch reaction have been studied. HgFe2O4 NPs exhibits the highest catalytic activity than others. The structural properties of synthesized 1,4‐dihydropyridine were characterized by mass spectrometry, FT‐IR and 1H‐ and 13C‐NMR. Finally, the in silico molecular simulations for screening of blocking ability of synthesized 1,4‐dihydropyridine against various TRPV6 proteins were performed. These studies revealed that examined 1,4‐dihydropyridines are promising TRPV6 calcium channel blockers. As a result, molecular modeling confirmed that synthesized 1,4‐DHPs are docked on the pore region of the examined TRPV6 channels.
In this work, an efficient and green method has been presented to prepare arylbenzimidazoles via an aqueous one-pot two–step cascade reaction. The reaction conditions were optimized by varying the reaction parameters. The products were obtained using the reaction between aldehydes, malononitrile, and 1,2–phenylenediamine. Moreover, SnFe2O4 nanoparticles were used as the heterogeneous catalyst at room temperature under an inert atmosphere. The structural properties of synthesized arylbenzimidazoles were investigated by using FT-IR, NMR, and mass spectrometry. The morphology and composition of the catalyst have been defined by SEM, XRD, UV–Vis, FTIR, and Raman spectroscopy. Ten different arylbenzimidazoles derivatives were prepared in 70–98% yield and the structural properties of them were investigated using FT–IR, NMR, and mass spectrometr. The plausible reaction mechanism was proved using DFT calculations. Furthermore, molecular docking simulations identified that the synthesized arylbenzimidazoles as an activator of transmembrane proteins of the human innate immune system. The effectiveness of this new method for the synthesis of Arylbenzimidazoles has been proved by experimental data and DFT calculations. The usefulness of the product as Human Transmembrane Protein Activators was proved using Docking studies.
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