Models for copper proteins. Copper(I) and (II) complexes of a novel binucleating tetraamino-tetrathioether ligand

The novel binucleating ligand, 6,6 prime-methylene-bis(5 prime-amino-3 prime,4 prime-benzo-2 prime-thiapentyl)-1,11-diamino-2,3:9,10-dibenzo-4,8-dithiaundecane (H4L) was prepared and reacted with copper(II) salts in dry MeOH to yield mixtures of copper(I) and copper(II) complexes with Cl- and ClO-4 counter ions. The amine functions on the ligand release protons to form copper(I) complexes: (Cu2L)X2, where X=Cl−, ClO4-. The complexes were oxidized to (Cu2L)X4 with H2O2 in DMF; Cu(NO3)2 gave a different complex, [Cu2(H4L)(NO3)2](NO3)2, as regards proton releasing ability, coordination and oxidation number. Evidence for the structures of this new tetraamino-tetrathioether ligand and its copper complexes is provided by 1H-, 13C-n.m.r., mass, u.v.–vis., i.r. spectra, elemental analyses, molar conductivities and magnetic moments. This revised version was published online in June 2006 with corrections to the Cover Date.     

Investigation of Raman,FT-IR,EPR spectra and antimicrobial activity of 2-(5-H/Me/Cl-1<Emphasis Type="BoldItalic">H</Emphasis>-benzimidazol-2-yl)-phenol ligands and their Fe(NO<Subscript>3</Subscript>)<Subscript>3</Subscript> complexes

2-(5-H/Me/Cl-1H-benzimidazol-2-yl)-phenol ligands form 1:1 electrolytes, 5-coordinate monometallic complexes with iron(III) nitrate. The geometry of the [Fe(L)(OH)(H₂O)₂](NO₃) complexes was derived from theoretical calculation in DGauss/DFT level (DZVP basis set) on CACHE. In all of the complexes the ligands are bidentate, via one imine nitrogen atom and phenolate oxygen atom. The coordination is completed with a hydroxide ion, and two water molecules, adopting a distorted square pyramidal geometry. The structures of the compounds were confirmed on the basis of elemental analysis, molar conductivity, magnetic moment, FT-Raman, FT-IR (mid-IR, far-IR), EPR and u.v.–vis. The antimicrobial activities of the free ligands, their hydrochloride salts, and the complexes were evaluated using the disk diffusion method in dimethyl sulfoxide (DMSO) as well as the minimal inhibitory concentration (MIC) dilution method, against nine bacteria and the results are compared with several known antibiotic agents. Antifungal activities were reported for Candida albicans, Kluyveromyces fragilis, Rhodotorula rubra, Debaryomyces hansenii, Hanseniaspora guilliermondii, and the results were referenced against nystatin, ketaconazole, and clotrimazole antifungal agents. In most cases, the compounds tested showed broad-spectrum (Gram⁺ & Gram⁻ bacteria) activities that were either more active or as potent as the references.     

Monitoring of oil-based polyurethane synthesis by FTIR-ATR

Oil-based polyurethanes were synthesized from triglyceride oil-based hydroxyl containing material and toluene diisocyanate or hexamethylene diisocyanate for wound dressing applications. The reactions were carried out with or without catalyst at 90 °C. The amount of free isocyanate during the reaction was determined by a FTIR-ATR method, and the results were compared with those from a back-titration method. The data obtained were used for determination of kinetic parameters.     

On the concept of exact solution for nonlinear differential equations of fractional‐order

In this article, the new exact travelling wave solutions of the nonlinear space‐time fractional Burger's, the nonlinear space‐time fractional Telegraph and the nonlinear space‐time fractional Fisher equations have been found. Based on a nonlinear fractional complex transformation, certain fractional partial differential equations can be turned into ordinary differential equations of integer order in the sense of the Jumarie's modified Riemann–Liouville derivative. The ‐expansion method is effective for constructing solutions to the nonlinear fractional equations, and it appears to be easier and more convenient by means of a symbolic computation system. Copyright © 2016 John Wiley & Sons, Ltd.     

Density-Dependent Conformable Space-time Fractional Diffusion-Reaction Equation and Its Exact Solutions

In this article, a special type of fractional differential equations(FDEs) named the density-dependent conformable fractional diffusion-reaction(DDCFDR) equation is studied. Aforementioned equation has a significant role in the modelling of some phenomena arising in the applied science. The well-organized methods, including the exp(-φ(ε))-expansion and modified Kudryashov methods are exerted to generate the exact solutions of this equation such that some of the solutions are new and have been reported for the first time. Results illustrate that both methods have a great performance in handling the DDCFDR equation.     

Thermal, vibrational and EPR studies of Cu(II) bromide bis(p-methylaniline) and bis(m-methylaniline) complexes

[CuBr(2)(pMA)(2)] and [CuBr(2)(mMA)(2)] complexes (pMA: p-methylaniline, mMA: m-methylaniline) have been prepared and characterized by elemental analyses, thermogravimetric analyses, magnetic moment measurements, and IR, Raman and EPR spectroscopic studies. Coordination effects on the vibrational spectra of the ligands have been investigated. The room temperature EPR spectra of the complexes and their simulated spectra are also discussed in detail. The vibrational and EPR spectral studies suggest that the coordination sphere around Cu(II) consist of a distorted tetragonal structure.     

Conducting graft copolymers of pyrrole and thiophene with random copolymers of methyl methacrylate and 3-methylthienyl methacrylate

Random copolymers of 3-methyl thienylmethacrylate and methyl methacrylate were synthesized via free radical polymerization. Electro-copolymerizations of random copolymers with thiophene and/or pyrrole were carried out in acetonitrile-tetrabutylammonium tetrafluoroborate (TBAFB), water-p-toluene sulfonic acid (PTSA) solvent-electrolyte couples. Oxidative polymerization of thiophene functionalized random copolymer was also achieved by constant current electrolysis and chemical polymerization. The characterizations were done by conductivity measurements, cyclic voltammetry (CV), Fourier transform infrared spectroscopy (FTIR), differential scanning calorimetry (DSC), thermal gravimetry analysis (TGA), scanning electron microscopy (SEM).     

Applications of fractional complex transform and $\left( \frac{G^{\prime }}{G}\right) $-expansion method for time-fractional differential equations

In this paper, the fractional complex transform and the $\left( \frac{G^{\prime }}{G}\right) $-expansion method are employed to solve the time-fractional modfied Korteweg-de Vries equation (fmKdV),Sharma-Tasso-Olver, Fitzhugh-Nagumo equations, where $G$ satisfies a second order linear ordinary differential equation. Exact solutions are expressed in terms of hyperbolic, trigonometric and rational functions. These solutions may be useful and desirable to explain some nonlinear physical phenomena in genuinely nonlinear fractional calculus.     

Computational studies on the electrocyclizations of 1-amino-1,3,5-hexatrienes

Electrocyclizations of 1,3,5-hexatrienes containing up to four electron-donating and/or electron withdrawing substituents have been studied computationally using the hybrid density functional, B3LYP. Electron donating substituents at positions C-1 and C-5 decrease activation barriers by 0.3 to 2.3 kcal/mol. Introducing of an electron-withdrawing group, CO(2)Me, at C-4 further decreases the activation energy by 7 kcal/mol. Electron-withdrawing groups (NO(2), SO(2)Ph and C=N(+)Me(2)) at C-2 have a profound effect of 17-25 kcal/mol on the activation energy.