Catecholase activity of Mannich-based dinuclear Cu^II complexes with theoretical modeling: new insight into the solvent role in the catalytic cycle

Abstract

Catecholase activity has been explored by combined experimental and theoretical approaches using di-copper(ii) complexes of Mannich-base ligands.

Cu(ii) complexes of a tridentate N,N,O-donor Schiff base of pyridoxal: synthesis, X-ray structures, DNA-binding properties and catecholase activity

“…1,4,10,11 Model complexes have played an important role in understanding the structural, spectroscopic and catalytic properties of the copper sites in protiens. [12][13][14][15][16][17][18][19][20][21][22][23][24][25][26] Various workers have tried to rationalize the catalytic efficiency of the catechol oxidation reaction with variety of parameters like redox potentials, solvent effect, pH of the medium, number and nature of bridging ligands, effect of secondary coordination sphere etc., however our knowledge in this direction is still sketchy and incomplete. 12,13,[17][18][19][20][21][22][23][24][25][26] Therefore, there is need for study of new model complexes showing catecholase activity and exploration of relationship between their structural, spectroscopic and catalytic properties.…”

Dinuclear μ‐Phenoxo and μ‐Hydroxo Bridged Copper Complexes Exhibiting Oxidation of Phenols and Isoelectronic Compounds: Cytotoxicity and Evidences for Cellular Apoptosis

“…The catalytic efficiency of complex 1 having methyl substituent was found to be highest (4369 h ‐1 ) based on turnover number followed by 2 (4330 h ‐1 ) with methoxy substituent and 3 (3483 h ‐1 ) having tertiary butyl substituent. A critical comparison of the values calculated for these complexes to the k cat values for other copper complexes reported in the literature is given in the Table . The steric factor could also play a major role in determining the feasibility of reaction as bulky tertiary butyl substituent showed least catalytic efficiency towards oxidation of DTBC.…”

Syntheses, structures and catecholase activities of homo‐ and hetero‐trinuclear cobalt(II) complexes constructed from an acyclic naphthalenediol‐based bis(Salamo)‐type ligand

“…3,5‐Di‐ tert ‐butylcatechol (3,5‐DTBCH 2 ) is widely used as the model substrate in most of the catecholase activity studies, the reason being that its oxidized product, 3,5‐di‐ tert ‐butylquinone (3,5‐DTBQ), has a characteristic absorption band at around 405 nm ( ε = 1900 M −1 ·cm −1 ) in MeCN . Catechol oxidase activity and kinetic parameters could be determined by monitoring the absorption maximum of the quinone.…”