Dataset Information

Eco-Friendly Synthesis of 1H-benzo[d]imidazole Derivatives by ZnO NPs Characterization, DFT Studies, Antioxidant and Insilico Studies.

ABSTRACT: Benzimidazoles are classified as a category of heterocyclic compounds. Molecules having benzimidazole motifs show promising utility in organic and scientific studies. A series of mono-substituted benzimidazoles were synthesized by ZnO-NPs via cyclocondensation between substituted aromatic aldehydes and o-phenylene diamine. The synthesized compounds were characterized and compared with the traditional methods. The nano-catalyzed method displayed a higher yield, shorter time and recyclable catalyst. The DFT study and antioxidant activity were investigated for benzo[d]imidazole derivatives. Compound 2a exhibited the highest antioxidant activity among the tested compounds. We focused on the catalytic activity of ZnO in the synthesis of heterocyclic structures with the goal of stimulating further progress in this field. The superiorities of this procedure are high yield of product, low amounts of catalyst and short reaction time.

SUBMITTER: Mohammed SM

PROVIDER: S-EPMC10385378 | biostudies-literature | 2023 Jul

REPOSITORIES: biostudies-literature

ACCESS DATA

Publications

Eco-Friendly Synthesis of 1H-benzo[d]imidazole Derivatives by ZnO NPs Characterization, DFT Studies, Antioxidant and Insilico Studies.

Mohammed Samar M SM Shehab Wesam S WS Emwas Abdul-Hamid M AM Jaremko Mariusz M Abdellattif Magda H MH Zordok Wael A WA Tantawy Eman S ES

Pharmaceuticals (Basel, Switzerland) 20230706 7

Benzimidazoles are classified as a category of heterocyclic compounds. Molecules having benzimidazole motifs show promising utility in organic and scientific studies. A series of mono-substituted benzimidazoles were synthesized by ZnO-NPs via cyclocondensation between substituted aromatic aldehydes and o-phenylene diamine. The synthesized compounds were characterized and compared with the traditional methods. The nano-catalyzed method displayed a higher yield, shorter time and recyclable ...[more]

PMID: 37513881

Similar Datasets

Project description:In the present work, a comparative study on eco-friendly synthesis of zinc oxide (ZnO) sample 1 and sample 2 with 3.17 and 4.17 M NaOH, respectively, is reported. Sample 2 with 4.17 M NaOH is applied in the photocatalytic degradation of paracetamol (pure and raw both) using the ultraviolet (UV, 280-400 nm) and UV/H2O2 reaction systems. Pure paracetamol (PCM1) and raw paracetamol (PCM2) from tablets are used for photocatalytic degradation by photocatalysis. Our experimental evidence show that ZnO sample 2 was more active in the UV/H2O2 reaction system than under ultraviolet (UV, 280-400 nm) irradiation only in the photocatalytic degradation process. Field emission scanning electron microscopy (FE-SEM) confirms the homogeneous growth of a rod-like structure for sample 1 and brittle and randomly aggregated rod-like and wire-like nanostructures for sample 2. The peaks observed in the region around 440 to 900 cm-1 in the FTIR spectra for sample 1 and sample 2 annealed at 250 °C confirms the presence of ZnO bonds. UV absorption spectroscopy indicates a red shift in the absorption spectra due to the increase in the molar concentration of NaOH to 4.17 M for sample 2. In this study, the band gap values are found to be 3.33 and 3.01 eV for the synthesized ZnO sample 1 and sample 2, respectively, which are 40 and 360 meV less as compared to that of bulk ZnO (3.37 eV). The oxidation rate is increased in the UV/H2O2 reaction system, producing the highest rate for PCM1 drug removal with rate constant 9.7 × 10-3 min-1 and half-life 71.5 min. The kinetic study results for the removal of PCM1 and PCM2 show good results and follow the pseudo-first-order kinetic model with correlation coefficients 0.69556 and 0.90851, respectively, whereas PCM2 follows the pseudo-second-order kinetic model with correlation coefficient 0.9993. The experimental and calculated values of removal capacity (q e) at equilibrium is found close to those of the pseudo-second order kinetic model for the removal of both the paracetamol forms PCM1 and PCM2 with the catalyst ZnO nanostructure. The photostability of ZnO sample 2 is also tested with a reusability test in photocatalytic degradation of paracetamol at least four times. The absence of a maxima peak at 243 of PCM1 in the UV/H2O2 reaction system indicates nearly 100% successful conversion of 20 ppm PCM1 by using synthesized catalyst ZnO sample 2. The comparative results of both reaction systems, i.e., UV and UV/H2O2, show that the hydroxyl radicals, as the active species, are responsible for major degradation of both paracetamol forms (PCM1 and PCM2).

Project description:Malva parviflora L. is an edible and medicinal herb containing mucilaginous cells in its leaves. Mucilage obtained from M. parviflora leaves (MLM) was extracted in distilled water (1:10 w/v) at 70 °C followed by precipitation with alcohol. Preliminary phytochemical tests were performed to assess the purity of the extracted mucilage. Results showed that the yield of mucilage was 7.50%, and it was free from starch, alkaloids, glycosides, saponins, steroids, lipids and heavy metals. MLM had 16.19% carbohydrates, 13.55% proteins and 4.76% amino acids, which indicate its high nutritional value. Physicochemical investigations showed that MLM is neutral and water-soluble, having 5.84% moisture content, 15.60% ash content, 12.33 swelling index, 2.57 g/g water-holding capacity and 2.03 g/g oil-binding capacity. The functional properties, including emulsion capacity, emulsion stability, foaming capacity and stability increased with increased concentrations. Micromeritic properties, such as bulk density, tapped density, Carr's index, Hausner ratio, and angle of repose, were found to be 0.69 g/cm3, 0.84 g/cm3, 17.86%, 1.22 and 28.5, respectively. Scanning electron microscopy (SEM) showed that MLM is an amorphous powder possessing particles of varying size and shape; meanwhile, rheological studies revealed the pseudoplastic behavior of MLM. The thermal transition process of MLM revealed by a differential scanning calorimetry (DSC) thermogram, occurring at a reasonable enthalpy change (∆H), reflects its good thermal stability. The presence of functional groups characteristic of polysaccharides was ascertained by the infrared (IR) and gas chromatography/mass spectrometry (GC/MS) analyses. GC revealed the presence of five neutral monosaccharides; namely, galactose, rhamnose, arabinose, glucose and mannose, showing 51.09, 10.24, 8.90, 1.80 and 0.90 mg/g of MLM, respectively. Meanwhile, galacturonic acid is the only detected acidic monosaccharide, forming 15.06 mg/g of MLM. It showed noticeable antioxidant activity against the DPPH (1,1-diphenyl-2-picrylhydrazyl) radical with an IC50 value of 154.27 µg/mL. It also prevented oxidative damage to DNA caused by the Fenton reagent, as visualized in gel documentation system. The sun protection factor was found to be 10.93 ± 0.15 at 400 µg/mL. Thus, MLM can be used in food, cosmetic and pharmaceutical industry and as a therapeutic agent due to its unique properties.

Dataset Information

Eco-Friendly Synthesis of 1H-benzo[d]imidazole Derivatives by ZnO NPs Characterization, DFT Studies, Antioxidant and Insilico Studies.

Publications

Eco-Friendly Synthesis of 1<i>H</i>-benzo[<i>d</i>]imidazole Derivatives by ZnO NPs Characterization, DFT Studies, Antioxidant and Insilico Studies.

Similar Datasets

OmicsDI is part of the ELIXIR infrastructure

Tweets