Synthesis, spectral characterization, lethal dose (LD50) and acute toxicity studies of 1,4-Bis(imidazolylazo)benzene (BIAB)

Abstract

Synthesis, spectral characterization, lethal dose (LD 50 ) and acute toxicity studies of 1,4-Bis(imidazolylazo)benzene (BIAB)

Synthesis, Characterization, in silico DFT, Molecular docking, ADMET Profiling Studies and Toxicity Predictions of Ag(I) Complex Derived from 4‐Aminoacetophenone

“…For free ligand (DMPDE), the UV‐Vis. spectra showed an absorption maximum at 401 nm (24937.66 cm −1 ), which was attributed to an intramolecular charge transfer (n→π*) transition between the azo side chain and carbonyl moiety [46] . While the absorption band at the UV region 240 nm (41666.67 cm −1 ), was assigned for intermolecular charge transfer (π→π(* transition of π‐systems (phenolic moiety and benzene moiety), respectively (Figure S1a).…”

“…Results confirmed that the azo dye ligand DMPDE behaves as a bidentate and coordinates to the metal ion via, the nitrogen atom of the azo group which is the farthest of the acetophenone moiety and oxygen phenolic for benzene moiety. Tetrahedral environment is suggested for Ag(I) metal complex [Ag(DMPDE)(H 2 O) 2 ] [23,25,46,71] …”

“…Outermost filled orbitals such as the HOMO serve as electron donors and are directly correlated to ionization potentials, [62] whereas outermost unfilled orbitals like the LUMO serve as electron acceptors, are more energetic, and are associated with electron affinity. These computations were made using the following formulas and Equations 8–17: [46,63] $$$\vcenter{\openup.5em\halign{$\displaystyle{#}$\cr {\rm Energy}\ {\rm gap}\ (\Delta {\rm E})={\rm E}{_{{\rm LUMO}}}- {\rm E}{_{{\rm HOMO}}}\hfill\cr}}$$$ $$$\vcenter{\openup.5em\halign{$\displaystyle{#}$\cr {\rm Chemical}\ {\rm hardness}\ (\eta )={\rm E}{_{{\rm LUMO}}}- {\rm E}{_{{\rm HOMO}}}/2\hfill\cr}}$$$ $$$\vcenter{\openup.5em\halign{$\displaystyle{#}$\cr {\rm Chemical}\ {\rm softness}\ ({\rm \delta} )=1/\eta \hfill\cr}}$$$ $$$\vcenter{\openup.5em\halign{$\displaystyle{#}$\cr {\rm Electronegativity}\ ({\rm \chi} )=- ({\rm E}{_{{\rm HOMO}}}+{\rm E}{_{{\rm LUMO}}}/2)\hfill\cr}}$$$ $$$\vcenter{\openup.5em\halign{$\displaystyle{#}$\cr {\rm Chemical}\ {\rm potentials}\ ({\rm Pi})=- {\rm \chi} \hfill\cr}}$$$ …”

“…Using diazotized and coupling reactions (Scheme 1), a novel azo dye ligand, (E)-1-(4-((2,4-dihydroxy-6-methylphenyl)diazenyl)phenyl)ethan-1-one (DMPDE), was synthesized. In accordance with a previously published method, [22][23][24][25] the diazonium salt (2) was prepared. The 4-aminoacetophenone (1) (1.35 g, 1.00×10 À 3 mol) was dissolved in concentrated (HCl 5 mL) and (distilled water 25 mL).…”

Drug Carriers in The Delivery and Release of Hydroxychloroquine by Biopolymer

“…3.9 Loaded ZnO-NPs and HCQ properties on a κC-Sa/ZnO composite It is clear that incorporating hydroxychloroquine into the κC-Sa/ZnO matrix improves the antibacterial characteristics of that gel versus both Gram-positive and Gram-negative types of bacteria, which can be a direct outcome of stopping the production of protein by those bacteria (Kyhoiesh et al 2021). Regardless of ZnO-NPs concentration, adding hydroxychloroquine has a favorable effect on the antibacterial as well as gel fraction.…”