scholarly journals Boosted Electronic, NLO and Absorption Characteristics for Quercetin and Taxifolin; Comparative Experimental and DFT Studies

2021 ◽  
Vol 12 (6) ◽  
pp. 8241-8257

In the present study, a considerable, reproducible, and eco-friendly biological synthesis of Ag nanoparticles using Mangifera indica leaf extract as a reductant is documented. The spectroscopic characteristics of synthesized Ag nanoparticles are described by both UV-Vis and FT-IR techniques. The bandgap offsets, reactivity, and NLO properties for two flavonoids, quercetin, and taxifolin, are examined using the DFT approach. Also, a detailed comparative analysis for HOMO-LUMO interactions among quercetin and taxifolin is discussed. Results show that quercetin and taxifolin possess dipole moment (DM=4.79, 3.99 Debye) and bandgap offset (2.59, 2.98 eV). Both molecules are promising candidates as window layers for solar cells and memory switch devices. In addition, hyperpolarizability calculations show that quercetin NLO response is higher than taxifolin, which sets a revolutionary recall for NLO manufacture upgrade. Moreover, NBO and UV-Vis absorption characteristics are reported as well.

2021 ◽  
Vol 12 (6) ◽  
pp. 7886-7902

In the present study, a considerable, reproducible, and eco-friendly biological synthesis of Ag nanoparticles using Mangifera indica leaf extract as a reductant is documented. The spectroscopic characteristics of synthesized Ag nanoparticles are described by both UV-Vis and FT-IR techniques. The bandgap offsets, reactivity, and NLO properties for two flavonoids, quercetin, and taxifolin, are examined using the DFT approach. Also, a detailed comparative analysis for HOMO-LUMO interactions among quercetin and taxifolin is discussed. Results show that quercetin and taxifolin possess dipole moment (DM=4.79, 3.99 Debye) and bandgap offset (2.59, 2.98 eV). Both molecules are promising candidates as window layers for solar cells and memory switch devices. In addition, hyperpolarizability calculations show that quercetin NLO response is higher than taxifolin, which sets a revolutionary recall for NLO manufacture upgrade. Moreover, NBO and UV-Vis absorption characteristics are reported as well.


Author(s):  
Felicia Uchechukwu Okwunodulu ◽  
Helen Ogechi Chukwuemeka-Okorie ◽  
Francis Chijioke Okorie

This study was focused on the synthesis of cobalt nanoparticles using Mangifera indica leaf extract and the characterization of the particles via UV–Vis spectroscopy, XRD, FT-IR and SEM. The XRD results showed the formation of cobalt nanoparticles that was crystalline in nature, with an average size of 25—40 nm. The FT-IR analysis of the leaf extract reviewed some functional groups responsible for the reduction of cobalt ions to cobalt nanoparticles while the SEM indicates that the synthesised cobalt nanoparticles possess a cubic, pentagonal and irregular in shape with a smooth surface. Application of colloidal cobalt nanoparticles in detecting Mn2+ ions was discussed which indicated that the absorption of the Mn (II) ions decreased at increased concentration of Mn (II) ions indicating that Mn (II) ion can be detected even at a very low concentration. The minimum and maximum detection limit was found to be 5 and 25 mM of Mn (II) ions, respectively. The obtained results encourage the use of economical synthesis of cobalt nanoparticles in the development of nanosensors to detect the pollutants present in industrial effluents.


2020 ◽  
Vol 9 (1) ◽  
pp. 203-210

The available controlling agents for mosquito vectors are chemical insecticides and the frequent usage of these insecticides creating resistance among mosquito vectors and environmental pollutions. Thus, the study was designed to synthesize and characterize the Ag nanoparticles (AgNPs) through a methanol leaf extract of Ocimum canum and find the larvicidal prospective of the AgNPs on the 4th instar larvae of Anopheles stephensi, Culex quinquefasciatus, and Aedes aegypti. The obtained outcomes show that the methanol leaf extract of O. canum was effectively reduced the silver ions and produce constant silver nanoparticles. It was characterized and confirmed by various scientific techniques such as UV-vis spectrum, XRD, SEM, FT-IR and EDaX. Various concentrations (10, 50, 150, 200, and 250 ppm) of characterized nanoparticles were tested for larvicidal activity. The premier larval death was observed at 24 h of treatment on A. aegypti with LC50= 17.03 ppm, followed by C. quinquefasciatus with LC50= 14.89 ppm of methanol extract of O. canum and no death was noticed on A. stephensi. The LD90 value for A. aegypti and C. quinquefasciatus were 24.18 & 20.65 ppm respectively. Hence, the Ag nanoparticles produced from methanol leaf extract of O. canum retains efficiency to control A. aegypti and C. quinquefasciatus. Thus, it might support partially to replace the chemical insecticide which used against these vectors and might contribute to reduce environmental pollution.


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