Nano-crystallites Imine-based Copper(II) Complexes as Mimetics for Copper Oxidase Proteins: Synthesis,Characterization,DFT and Oxidase Mimicking Activity  

作　　者：ALHADHRAMI Abdulrahman RAMADAN Abd El-Motaleb FATHY Ahmed 

机构地区：[1]Department of Chemistry,College of Science,Taif University,P.O.Box 11099,Taif,21944,Saudi Arabia [2]Chemistry Department,Faculty of Science,Kafr El-Sheikh University,Kafr El-Sheikh,Egypt [3]Chemistry Department,Faculty of Science,Zagazig University,Zagazig,Egypt

出　　处：《Chemical Research in Chinese Universities》2024年第6期1068-1081,共14页高等学校化学研究（英文版）

基　　金：the Deanship of Graduate Studies and Scientific Research,Taif University for funding this work.

摘　　要：Three tridentate imine ligands containing N2S donors were synthesized via Schiff condensation between derivatives of both amino triazine and 2-carbonyl pyridine.The reaction of these ligands with CuCl2 in a molar ratio of 1:1 provides three Cu(II) complexes with the general formula [CuLn·Cl_(2)].Analytical,electrical,magnetic,and spectroscopic studies were used to assign the molecular formulae of these metallic chelates.Density function theory (DFT) calculations confirmed the structural analysis results obtained from spectroscopic studies.The various characterization techniques used demonstrated the penta-coordinated slightly distorted square pyramidal structure for the present Cu(II) complexes 1,2,and 3.Measurements of cyclic voltammetry were done in methanol to define the electrochemical behavior of the current Cu(II) complexes.The biomimetics of catechol oxidase (C.O.);phenoxazinone synthase (PHS) have been studied in the aerobic oxidation of some phenolic substrates,such as 3,5-di-tert-butylcatechol (3,5-DTBCH2);ortho-aminophenol (o-APH3).The three candidate oxidase mimetics showed promising activity in the order 3 > 1 > 2.The catalytic activity related to the structural properties of existing oxidase mimetics was discussed.The driving force (-ΔG°) controlling the redox reactions of the present biomolecules was calculated from the redox data of Cu(II) complexes 1,2,and 3.The potential catalytic reaction pathway for the oxidation of the studied phenolic substrates was discussed.

关 键 词：Nano-crystallite Imine-based copper(II)complex Mimetics of copper oxidase protein Synthesis and characterization Density function theory(DFT)calculation 

分 类 号：O62[理学—有机化学]