cyclic voltammogram and differential pulse polarograph of octaethyl porphyrin iron(iii) chloride in dichloromethane was investigated in the presence of pyridine, imidazole and collidine. values of e1/2 for feiii/feii redox reaction were monitored as a function of axial group concentration, and on the basis of these data, an overall oxidation-reduction and ligand addition scheme was formulated. ...

A detailed theoretical investigation of the charge transport mechanism in poly(4-vinyl-imidazole) (P4VI), the parent polymer of a series of N-heterocyclic-based membranes used as an electrolyte in proton exchange membrane fuel cells, is presented. In particular, Density Functional Theory (DFT) results obtained for small model systems (protonated imidazole dimers and trimers) suggest that the co...

The binding of Cu(II) by histidine in 1: 2 molar ratio has been investigated. The theoretical number of hydrogen ions displaced from each mole of bound llgand at several pH values was calculated considering all the possible interactions between Cu(II) and histidine involving (a) amino and carboxyl, (b) amino and imidazole, (c) imldazole and carboxyl, and (d) amino, imidazole, and carboxyl group...

We simulated structural and dynamical properties of imidazoles tethered to aliphatic backbones to determine how chain length influences the competition between extended hydrogen-bond networks and imidazole reorientation dynamics. We performed molecular dynamics simulations on hypothetical solids using the GAFF Amber force field over the temperature range 300-800 K, for chain lengths varying fro...

Introduction: Imidazole is an entity which is being synthesized in many of its derivative form from past few years; the entity is major source of interest for many of medicinal chemist to explore its various pharmacological potentials. In present article we review the chemistry of imidazole and its pharmacological actions as antihelmintics, anticancer, antifungal and anti-inflammatory agent by ...

A convenient, simple and green process for the synthesis of 2,4,5-triaryl-1H-imidazole and 1,2,4,5-tetraaryl-1H-imidazole derivatives using snail shell, which is abundant in Morocco, as a catalyst in ethanol at 40 °C has been developed. Additionally, short reaction times, excellent yields, simple procedure and relative non-toxicity of the catalyst are other noteworthy advantages and make this m...

A convenient, simple and green process for the synthesis of 2,4,5-triaryl-1H-imidazole and 1,2,4,5-tetraaryl-1H-imidazole derivatives using snail shell, which is abundant in Morocco, as a catalyst in ethanol at 40 °C has been developed. Additionally, short reaction times, excellent yields, simple procedure and relative non-toxicity of the catalyst are other noteworthy advantages and make this m...

We determine the nonlinear mechanical behavior of a prototypical zeolitic imidazolate framework (ZIF-8) along two modes of mechanical failure in response to tensile and shear forces using first-principles simulations. Our generalized stacking fault energy surface reveals an intrinsic stacking fault of surprisingly low energy comparable to that in copper, though the energy barrier associated wit...

We propose and experimentally realize a new kind of bound states in the continuum (BICs) in a class of systems constructed by coupling multiple identical one-dimensional chains, each with inversion symmetry. In such systems, a specific separation of the Hilbert space into a topological and a nontopological subspace exists. Bulk-boundary correspondence in the topological subspace guarantees the ...