Shaker Abdel’s scientific contributions

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Publications (2)


Physical properties and UV-vis data for CT complexes
1 H-and 13 C-NMR spectral data of selected CT complexes
The IC 50 for new CT complexes
Showing the electronic structure of a prepared compound
New Charge-Transfer Complexes of Organochalcogenide Compound Based on Aryl Acetamide Group with Quinones: Synthesis, Characterization, Antioxidant, and Computational Study
  • Article
  • Full-text available

April 2024

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143 Reads

Indonesian Journal of Chemistry

Attared Fadhel

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Hazim Nahed

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This study aims to prepare charge transfer complexes derived from organochalcogenide of arylamide derivatives with different quinones. A new charge-transfer complexes have been developed through a direct reaction between (' antioxidant activity was evaluated through α,α-diphenyl-β-picrylhydrazyl at 10-0.312 mg/mL. The results showed that all complexes exhibited promising antioxidant activities. Among them, (PhCH 2 NHCOCH 2) 2 S·DDQ compound had the least IC 50 value of 6.725 mg/mL, indicating a potent scavenging property compared to other compounds. The molecular structures of charge-transfer complexes were investigated using hybrid density functional theory (B3LYP) and basis set 3-21G. We obtained geometrical structures' highest occupied molecular orbital (HOMO) and lowest unoccupied molecular orbital (LUMO) surfaces and energy gaps through geometric optimization. We also investigated the molecular shapes and contours of the prepared compounds through geometrical optimization and compared the HOMO energy of the CT compounds to investigate donor and acceptor properties.

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New Charge-Transfer Complexes of Organochalcogenide Compound Based on Aryl Acetamide Group with Quinones: Synthesis, Characterization, Antioxidant, and Computational Study

February 2024

·

54 Reads

Indonesian Journal of Chemistry

This study aims to prepare charge transfer complexes derived from organochalcogenide of arylamide derivatives with different quinones. A new charge-transfer complexes have been developed through a direct reaction between (' antioxidant activity was evaluated through α,α-diphenyl-β-picrylhydrazyl at 10-0.312 mg/mL. The results showed that all complexes exhibited promising antioxidant activities. Among them, (PhCH 2 NHCOCH 2) 2 S·DDQ compound had the least IC 50 value of 6.725 mg/mL, indicating a potent scavenging property compared to other compounds. The molecular structures of charge-transfer complexes were investigated using hybrid density functional theory (B3LYP) and basis set 3-21G. We obtained geometrical structures' highest occupied molecular orbital (HOMO) and lowest unoccupied molecular orbital (LUMO) surfaces and energy gaps through geometric optimization. We also investigated the molecular shapes and contours of the prepared compounds through geometrical optimization and compared the HOMO energy of the CT compounds to investigate donor and acceptor properties.