Alstonia boonei De Wild is a herbal medicinal plant of West African origin, popularly known as God's tree or “Onyame dua”. Within West Africa, it is considered as sacred in some forest communities; consequently the plant parts are not eaten. The plant parts have been traditionally used for its antimalarial, aphrodisiac, antidiabetic, antimicrobial, and antipyretic activities, which have also been proved scientifically. The plant parts are rich in various bioactive compounds such as echitamidine, Nα-formylechitamidine, boonein, loganin, lupeol, ursolic acid, and β-amyrin among which the alkaloids and triterpenoids form a major portion. The present paper aims at investigating the main research undertaken on the plant in order to provide sufficient baseline information for future work and for commercial exploitation.
The electronic spectra of phenol, 2-chlorophenol, 2-aminophenol, and 2-nitrophenol have been studied both experimentally and computationally. The effect of the substituents on the solvatochromic behavior of the phenols were investigated in polar protic (methanol) and aprotic (dimethyl sulfoxide (DMSO)) solvents. The spectra of 2-nitrophenol recorded the highest red shift in methanol. The observed spectral changes were investigated computationally by means of density functional theory (DFT) methods. The gas phase compounds were fully optimized using B3LYP functionals with 6-31++G(d,p) bases set. The effects of the substituents on the electron distribution in the σ-bonds as well as the natural charge on the constituent atoms were analyzed by natural bond orbital (NBO) and natural population analysis (NPA). Second-order perturbation analyses also revealed substantial delocalization of nonbonding electrons on the substituents onto the phenyl ring, thereby increasing its electron density. Full interaction map (FIM) also showed regions of varying propensities for hydrogen and halogen bonding interactions on the phenols.
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