Divalent manganese,cobalt, copper and cadmium complexes of (Z)‐N‐benzoyl‐N′‐(1H‐1,2,4‐triazol‐3‐yl)carbamimidothioic acid: Preparation,characterization, computational and biological studies

In this work, (Z)‐N‐benzoyl‐N′‐(1H‐1,2,4‐triazol‐3‐yl)carbamimidothioic acid and its Mn(II), Co(II), Cu(II) and Cd(II) complexes were introduced for the first time. This carbonyl thiourea ligand was prepared by the reaction of 1H‐1,2,4‐triazol‐3‐amine with benzoyl isothiocyanate. The structural elucidation of these compounds was performed using elemental analysis and spectral and magnetic measurements. Octahedral structures of all complexes, except Cd(II) complex with a tetrahedral geometry, were confirmed by applying DFT structural optimization. The thermal decomposition behaviour of metal complexes of carbonyl thiourea ligand is discussed. The calculation of kinetic parameters for prepared complexes (E_a, A, ΔH*, ΔS* and ΔG*) of all thermal degradation stages has been evaluated using two comparable approaches. Antimicrobial and ABTS‐antioxidant studies indicated potent activity of Cd(II) complex compared with the other investigated compounds. The cytotoxic activity of the prepared compounds was investigated in vitro. The results indicated potent activity of Mn(II) complex against both HePG2 (liver carcinoma) and MCF‐7 (breast carcinoma) cancer cells.     

Synthesis,characterization, and biological investigation of new mixed-ligand complexes

A novel series of mixed-ligand complexes of 5,5′-{(1E,1E′)-1,4-phenelynebis(diazene-2,1-diyl)}bis(quinolin-8-ol) (H₂L₁) as a primary ligand and 4-aminoantipyrine(L₂) as a secondary ligand with Mn(II) ion were prepared using two general formulae: [Mn₂(H₂L₁)₂(L₂)₂X₄].4Cl (X = OH₂( 1 ), ONO₂⁻( 2 ), Cl=nil; OAc( 3 ), Cl = nil) and [Mn₂(H₂L₁)(L₂)₂(O₂SO₂)₂]( 4 ). Free ligands and their complexes were characterized. Electronic absorption spectra of the mixed-ligand complexes indicate a distorted octahedral geometry around the central metal ion, and the anions X⁻ are in the axial positions for all compounds. The ligands behave in a neutral bidentate manner, through nitrogen atoms and oxygen atoms of the carbonyl group (L₂), whereas H₂L₁ coordinated through nitrogen and OH groups as a neutral bidentate ligand. All complexes do not contain coordinated water molecules, but complex ( 1 ) contains four water molecules. The water molecules are removed in a single step. The complexes exhibited magnetic susceptibility corresponding to five unpaired electrons. The antimicrobial activity of the Mn(II) mixed-ligand complexes ( 1–4 ) against two gram-positive bacteria, three local gram-negative bacteria, and three fungi species was tested. Mn(II) mixed-ligand complex ( 2 ) exhibited significant antibacterial activity against Bacillus cereus, Staphylococcus aureus, Escherichia coli, Klebsiella pneumoniae, and Pseudomonas sp. Mixed-ligand complex ( 2 ) exhibited a high potential cytotoxicity against the growth of human lung cancer cells.     

Evaluation of aerodynamic performance enhancement of Risø_B1 airfoil with an optimized cavity by PIV measurement

Journal of Visualization - Airfoils are mostly inefficient in their off-design conditions. In order to improve the aerodynamic performance of airfoils in these conditions, using an optimized cavity...     

Sorbent extraction behavior of a nonionic surfactant,Triton X-100, onto commercial charcoal from low level radioactive waste

In nuclear power plants and nuclear laboratories, laundry wastewater is generated from decontaminating polluted instruments, worker’s clothes and taking shower after work. Laundry wastewater contains radionuclides and surfactants. The surfactants included in laundry wastewater affect the extraction of radionuclides. Therefore, surfactants should be removed before extraction of radionuclides. The objective of the present work is to assess the ability of commercial charcoal for the removal of nonionic surfactants, where, commercial charcoal is a commonly available adsorbent for treatment. Charcoal was characterized using different analytical techniques. The isotherm models and thermodynamic parameters were evaluated. Charcoal was applied to the removal of surfactant from liquid radioactive waste. The data obtained can be used for designing a plant for treatment of surfactant rich water and wastewater economically.     

Analysis of an optimal control problem for the tridomain model in cardiac electrophysiology

In the present paper, an optimal control problem constrained by the tridomain equations in electrocardiology is investigated. The state equations consisting in a coupled reaction–diffusion system modeling the propagation of the intracellular and extracellular electrical potentials, and ionic currents, are extended to further consider the effect of an external bathing medium. The existence and uniqueness of solution for the tridomain problem and the related control problem is assessed, and the primal and dual problems are discretized using a finite volume method which is proved to converge to the corresponding weak solution. In order to illustrate the control of the electrophysiological dynamics, we present some preliminary numerical experiments using an efficient implementation of the proposed scheme.     

Parametric resonance and jump analysis of a beam subjected to periodic mass transition

Nonlinear Dynamics - In this paper, the dynamic stability of a simply supported beam excited by the transition of circulating masses is investigated by preserving nonlinear terms in the analysis....