The kinetics and mechanism of the antioxidant activities of the methanolic extract of the leaves of two vegetables [ Corchorus olitorius ( C. olitorius ) and Vernonia amygdalina ( V. amygdalina )] have been studied using experimental and theoretical approaches. The kinetics (second order and pseudo-first order) of the 2,2-diphenyl-1-picrylhydrazyl (DPPH) radical scavenging activities of the leaf extracts at varying times (30–90 min) were determined using the UV–visible spectrophotometry method at λ max = 517 nm, whereas the mechanism was studied by density functional theory at two levels of functionals (B3LYP and LC-ωPBE) using bond dissociation enthalpy and adiabatic ionization potential values. Molecular properties such as the highest occupied molecular orbital, lowest unoccupied molecular orbital, electronegativity (χ), electrophilicity (ω), hardness (η), and softness ( S ) of the predominant phenolic antioxidants were also compared. The second-order kinetics is favored by both plants rather than pseudo-first order; however, V. amygdalina with a second-order rate constant k 2 of 0.0152 (mM) −1 min –1 is faster in scavenging DPPH radicals than C. olitorius with a k 2 value of 0.0093 (mM) −1 min –1 . Chlorogenic acid and luteolin-7-O-β-glucuronide, which are the most abundant phenolic acid antioxidant in C. olitorius and V. amygdalina , both preferably scavenge the DPPH radical via a hydrogen atom transfer mechanism. This is evident from their lower bond dissociation enthalpy values than the adiabatic ionization potential values. Successful molecular docking of these phenolic compounds indicates that both compounds form favorable interactions with the therapeutic target, xanthine oxidase.
Indoor air quality is essential, so its quality cannot be compromised. Hence, this research assessed indoor gaseous air pollutant concentrations from sources in thirty-three residential kitchens within the 4-zone of Ilorin-South Local Government, Kwara, Nigeria. The work focused on SO2, NO2, and CO emission concentration quantification, determination of the air quality index (AQI), estimation of health assessment risk, and deduced their health implications on the residents. The concentrations of NO2 and SO2 were determined by the Saltzman method using a Gilair-3 air sampler, while the concentration of CO was determined using an MSA Altair-5x multigas detector. Three types of eleven kitchen environments each (kitchens where liquefied petroleum gas (LPG), charcoal, and firewood were used as fuel sources) were considered. The concentrations of NO2, SO2, and CO were higher in kitchens that used charcoal and firewood. The major health risks were deduced in percentages from the questionnaire administered, where headaches had the highest percentage (20.7). The model indicated that the concentrations of the pollutants in the evening, irrespective of the sampling points, were higher than those in the morning. Firewood contributed significantly more than charcoal and LPG ( p < 0.05 ). The results of the health assessment risk showed that the risk estimated for normal exposure to the pollutants in all the households studied revealed a hazard quotient of <1.0 except for SO2 from firewood for infants and children = 1.09. The AQI results showed the worst health conditions for households that used firewood (0.103–4.760 ppm NO2; 0.327–0.647 ppm SO2; and 12.30–57.83 ppm CO). The study concluded that the use of LPG should be preferred as a source of fuel for cooking.
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