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Synthesis, Structure, and Bio‐activity of a Copper(II)‐OH 2 Complex based on N , N′ ‐Bis(2‐quinolinylmethyl)amantadine
Author(s) -
Zhou YingHua,
Chen LiQing,
Lv QiChun,
Tao Jun,
Liu XianWen,
Cheng Yong
Publication year - 2015
Publication title -
zeitschrift für anorganische und allgemeine chemie
Language(s) - English
Resource type - Journals
SCImago Journal Rank - 0.354
H-Index - 66
eISSN - 1521-3749
pISSN - 0044-2313
DOI - 10.1002/zaac.201400393
Subject(s) - chemistry , crystallography , monoclinic crystal system , copper , ligand (biochemistry) , crystal structure , redox , single crystal , stereochemistry , inorganic chemistry , biochemistry , receptor , organic chemistry
In the superoxide dismutase and metallohydrolase, the complexes containing water as weak ligand are located at the active site since water is easily substituted by substrate or deprontonated to form the metal hydroxyl active species. Herein, a new copper(II) complex, [Cu(bqad)(H 2 O)](ClO 4 ) 2 · 2H 2 O ( 1 ) [bqad = N , N ′‐bis(2‐quinolinylmethyl)adamantine] was synthesized and characterized by single‐crystal X‐ray diffraction. It crystallizes in the monoclinic system with the P 2 1 / m space group, and exhibits a distorted planar configuration engendered by CuN 3 O w set. The frontier molecular orbital energies were obtained by DFT calculations with B3LYP method at LanL2DZ basis, indicating that the copper(II) ion has the potential of accepting electron of O 2 · – . The complex showed quasi ‐reversible one‐electron Cu II /Cu I redox waves with redox potentials of –0.13 V. The SOD‐like activity (IC 50 ) of 1 was measured to be 0.71 ± 0.01 μ M by NBT assay at pH 7.8. Moreover, the catalytic hydrolysis of p ‐nitrophenyl acetate ( p NA) was performed to be found that the kinetic process could be controlled by an acid‐base equilibrium and exhibited an inflection point at pH 8.37.