Design and synthesis of two macrocyclic dinuclear coordination polymers with binding of nitric oxide

A novel SOD‐like macrocycle “H2DPD” and its trivalent chromium, iron and divalent manganese complexes have been isolated and characterized using the conventional tools. The macrocycle was prepared by 2:2 condensation of P‐phenylenediamine with 5,5‐dimethyl1,3‐cyclohexanedione. IR and electronic spectral data suggested that H2DPD coordinates to the metal ion as N4 tetradentate donor with two Cl− occupying the remaining two sites of the distorted octahedron. XRD spectrum of Cr3+ complex indicated that the complex crystallizes in a face‐centered monoclinic structure with lattice parameters: a = 10.9380 Å; b = 12.4870 Å; c = 12.4600 Å, α = γ = 90° and β = 111.430 with space group P 1 21/c 1 (14). The energy gap (EHOMO‐ELUMO), molecular electrostatic potential map (EPM) of title compounds, bond length, bond angle, as well as global and local reactivity were estimated using DFT method. The Eg values obtained from electronic spectra of Cr3+, Mn2+ and Fe3+ complexes were found to be 1.284, 1.220 and 1.138 eV, respectively which are in accordance with those evaluated by DFT revealing semiconductor nature. Also, the thermal degradation of all title compounds was carried out and the kinetic parameters were evaluated using Coats‐Redfern and Horowitz‐Metzger equations. Moreover, the compounds have screened for antibacterial as well as superoxide mimic activities. Cr3+ complex exhibited the most significant potent activity against all bacterial strains. With respect to SOD‐like activity, the macrocycle showed the most remarkable SOD‐like activity comparable to the standard drug, ascorbic acid.

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Macrocyclic Cr³⁺, Mn²⁺ and Fe³⁺ complexes of a mimic SOD moiety: Design, structural aspects, DFT, XRD, optical properties and biological activity

El‐Gammal

El-Brashy

El‐Reash

2020

Applied Organom Chemis

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Mn(II) and Fe(III) complexes of N'1, N'2-bis((E)-2-hydroxybenzylidene) oxalohydrazide: Synthesis, characterization, DFT studies, biological activity, and ion-flotation separation of Fe(III)

Youssef

Khaleel

Azzam

et al. 2023

Journal of Molecular Structure

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Design, synthesis and crystal structure of six macrocyclic complexes as efficient and effective nitric oxide scavengers

et al. 2018

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Design and synthesis of two macrocyclic dinuclear coordination polymers with binding of nitric oxide

Cited by 3 publications

References 19 publications

Macrocyclic Cr³⁺, Mn²⁺ and Fe³⁺ complexes of a mimic SOD moiety: Design, structural aspects, DFT, XRD, optical properties and biological activity

Macrocyclic Cr³⁺, Mn²⁺ and Fe³⁺ complexes of a mimic SOD moiety: Design, structural aspects, DFT, XRD, optical properties and biological activity

Mn(II) and Fe(III) complexes of N'1, N'2-bis((E)-2-hydroxybenzylidene) oxalohydrazide: Synthesis, characterization, DFT studies, biological activity, and ion-flotation separation of Fe(III)

Design, synthesis and crystal structure of six macrocyclic complexes as efficient and effective nitric oxide scavengers

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Design and synthesis of two macrocyclic dinuclear coordination polymers with binding of nitric oxide

Cited by 3 publications

References 19 publications

Macrocyclic Cr3+, Mn2+ and Fe3+ complexes of a mimic SOD moiety: Design, structural aspects, DFT, XRD, optical properties and biological activity

Macrocyclic Cr3+, Mn2+ and Fe3+ complexes of a mimic SOD moiety: Design, structural aspects, DFT, XRD, optical properties and biological activity

Mn(II) and Fe(III) complexes of N'1, N'2-bis((E)-2-hydroxybenzylidene) oxalohydrazide: Synthesis, characterization, DFT studies, biological activity, and ion-flotation separation of Fe(III)

Design, synthesis and crystal structure of six macrocyclic complexes as efficient and effective nitric oxide scavengers

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Macrocyclic Cr³⁺, Mn²⁺ and Fe³⁺ complexes of a mimic SOD moiety: Design, structural aspects, DFT, XRD, optical properties and biological activity

Macrocyclic Cr³⁺, Mn²⁺ and Fe³⁺ complexes of a mimic SOD moiety: Design, structural aspects, DFT, XRD, optical properties and biological activity