Synthesis and structural characterization of new polynuclear complexes of 1-hydroxymethyl-3,5-dimethylpyrazole with Ni(II) and Fe(II)

The complexation of the simple 1-hydroxymethyl-3,5-dimethylpyrazole (HL) ligand with Fe and Ni salts leads to interesting polynuclear complexes in good yield. X-ray diffraction reveals that the resulting complexes (μ₄-L)₄Ni₄Cl₄(H₂O)₄ and (μ₂-L)₄(μ₃-L)₂Fe₈Cl₁₆(μ₄-O)₆ adopt cubane-type and open-cubane-type structures in the solid state.     

Determination of Phenolic Compounds in Various Propolis Samples Collected from an African and an Asian Region and Their Impact on Antioxidant and Antibacterial Activities

The biological activities of propolis samples are the result of many bioactive compounds present in the propolis. The aim of the present study was to determine the various chemical compounds of some selected propolis samples collected from Palestine and Morocco by the High-Performance Liquid Chromatography–Photodiode Array Detection (HPLC-PDA) method, as well as the antioxidant and antibacterial activities of this bee product. The chemical analysis of propolis samples by HPLC-PDA shows the cinnamic acid content in the Palestinian sample is higher compared to that in Moroccan propolis. The results of antioxidant activity demonstrated an important free radical scavenging activity (2,2-Diphenyl-1-picrylhydrazyl (DPPH); 2,2′-azino-bis 3-ethylbenzothiazoline-6-sulphonic acid (ABTS) and reducing power assays) with EC₅₀ values ranging between 0.02 ± 0.001 and 0.14 ± 0.01 mg/mL. Additionally, all tested propolis samples possessed a moderate antibacterial activity against bacterial strains. Notably, Minimum Inhibitory Concentrations (MICs) values ranged from 0.31 to 2.50 mg/mL for Gram-negative bacterial strains and from 0.09 to 0.125 mg/mL for Gram-positive bacterial strains. The S2 sample from Morocco and the S4 sample from Palestine had the highest content of polyphenol level. Thus, the strong antioxidant and antibacterial properties were apparently due to the high total phenolic and flavone/flavonol contents in the samples. As a conclusion, the activities of propolis samples collected from both countries are similar, while the cinnamic acid in the Palestinian samples was more than that of the Moroccan samples.     

Biomimetic oxidation of catechol employing complexes formed in situ with heterocyclic ligands and different copper(II) salts

In the present work, catecholase activity is presented. The complexes were prepared by condensation of the organic ligand pyrazolyl L ₁ –L ₄ and copper(II) ion in situ. The pyrazolyl compounds L ₁ –L ₄ used in this study are: L ₁ is (3,5-dimethyl-pyrazol-1-ylmethyl)-(4-methyl-pyridin-2-yl)-pyrazol-1-ylmethyl-amine; L ₂ is 1-{4-[(3,5-dimethyl-pyrazol-1-ylmethyl)-pyrazol-1-ylmethyl-amino]-phenyl}-ethanone; L ₃ is 1-{4-[(3,5-dimethyl-pyrazol-1-ylmethyl)-[1,2,4]triazol-1-ylmethyl-amino]-phenyl}-ethanone, and L ₄ is 2-[(3,5-dimethyl-pyrazol-1-ylmethyl)-[1,2,4]triazol-1-ylmethyl-amino]-6-methyl-pyrimidin-4-ol, and copper ions salts Cu(II) are (Cu(CH₃COO)₂, CuCl₂, Cu(NO₃)₂ and CuSO₄). In order to determine factors influencing the catecholase activity of these complexes, the effect of ligand nature, ligand concentration, nature of solvent and nature of counter anion has been studied. The best activity of catechol oxidation is given by the combination formed by one equivalent of ligand L ₂ and one equivalent of Cu(CH₃COO)₂ in methanol solvent which is equal to 9.09 µmol L^?1 min^?1. The Michaelis–Menten model is applied for the best combination, to obtain the kinetic parameters, and we proposed the mechanism for oxidation reaction of catecholase.     

An Insight into All Tested Small Molecules against Fusarium oxysporum f. sp. Albedinis: A Comparative Review

Bayoud disease affects date palms in North Africa and the Middle East, and many researchers have used various methods to fight it. One of those methods is the chemical use of synthetic compounds, which raises questions centred around the compounds and common features used to prepare targeted molecules. In this review, 100 compounds of tested small molecules, collected from 2002 to 2022 in Web of Sciences, were divided into ten different classes against the main cause of Bayoud disease pathogen Fusarium oxysporum f. sp. albedinis (F.o.a.) with structure–activity relationship (SAR) interpretations for pharmacophore site predictions as (δ⁻···δ⁻), where 12 compounds are the most efficient (one compound from each group). The compounds, i.e., (Z)-1-(1.5-Dimethyl-1H-pyrazole-3-yl)-3-hydroxy but-2-en-1-one 7, (Z)-3-(phenyl)-1-(1,5-dimethyl-1H-pyrazole-3-yl)-3-hydroxyprop-2-en-1-one 23, (Z)-1-(1,5-Dimethyl-1H-pyrazole-3-yl)-3-hydroxy-3-(pyridine-2-yl)prop-2-en-1-one 29, and 2,3-bis-[(2-hydroxy-2-phenyl)ethenyl]-6-nitro-quinoxaline 61, have antifungal pharmacophore sites (δ⁻···δ⁻) in common in N1---O4, whereas other compounds have only one δ⁻ pharmacophore site pushed by the donor effect of the substituents on the phenyl rings. This specificity interferes in the biological activity against F.o.a. Further understanding of mechanistic drug–target interactions on this subject is currently underway.     

A Two-dimensional Stationary Induction Heating Problem

We consider in this paper a system of equations modelling a steady-state induction heating process for ‘two-dimensional geometries’. Existence of a solution is stated in W^1,p(Ω) Sobolev spaces and is derived using the Leray–Schauder's fixed point theory. © 1997 by B. G. Teubner Stuttgart–John Wiley & Sons Ltd.     

A numerical study of heat island flows: Stationary solutions

We present two‐dimensional numerical simulations of a natural convection problem in an unbounded domain. The flow circulation is induced by a heat island located on the ground and thermal stratification is applied in the vertical direction. The main effect of this stably stratified environment is to induce the propagation of thermal perturbations in the horizontal direction far from the local thermal source. Numerical stationary solutions at Ra?10⁵ are computed in large elongated computational domains: convergence with respect to the domain sizes is investigated at different resolutions. On fine grids, with mesh size , a thermal sponge layer is added at the vertical boundaries: this local damping technique improves the convergence with respect to the domain length. Boussinesq equations are discretized with a second‐order finite volume scheme on a staggered grid combined with a second‐order projection method for the time integration. Copyright © 2008 John Wiley & Sons, Ltd.