Design, synthesis, theoretical study, antioxidant, and anticholinesterase activities of new pyrazolo-fused phenanthrolines

Abstract

Different synthetic strategies were used to optimize, obtaining a series of compounds derived from the pyrazole-fused phenanthroline system.

Nonlinear optical and spectroscopic properties, thermal analysis, and hemolytic capacity evaluation of quinoline-1,3-benzodioxole chalcone

“…Therefore, this computational method is valuable in showing important functional groups for characterizing the molecules studied here. 41 …”

Comprehensive analysis of crystal structure, spectroscopic properties, quantum chemical insights, and molecular docking studies of two pyrazolopyridine compounds: potential anticancer agents

“…Therefore, this computational method is valuable for identifying important functional groups for characterizing the molecules studied here. 39 …”

“…Therefore, this computational method is valuable for identifying important functional groups for characterizing the molecules studied here. 39 To obtain information on the reactivity and stability of compounds 4a and 4b, descriptors obtained from density The highest energy occupied molecular orbital (HOMO) characterizes the ability of a compound to donate electrons and undergo electrophilic additions. In contrast, the energy of the lowest unoccupied molecular orbital (LUMO) supplies information about a compound's readiness to accept electrons and its susceptibility to nucleophilic attack and is related to properties such as electronegativity (tendency to attract electron density) and electron affinity (ability to accept electrons).…”

Antioxidant activity, Dielectric and Electrical Properties of N-benzyl-N'-(5-methyl-1H-pyrazol-3-yl) propanimidamide.

“…The model of the scavenging of DPPH˙ radicals is simple, rapid and this is considered as an appropriate method to study the antioxidant property of compounds. The DPPH˙ radicals are generally stable except in the presence of compounds which are able to donate hydrogen atoms [50][51][52]. Various dilutions of the methanolic solution (0.01-1 mg/mL, in triplicate) and standard AA (0.001-1 mg/mL) were added to DPPH solution (0.035 mg/mL).…”