The properties of the new Mn(II)–Co(II)–Mn(II)-type hetero-trinuclear oxime metal complexes with N4 and N4O2 ligands

1,3- and 1,2-calix[4]crown-7 and calix[4]crown-9 cone conformers were synthesized in acceptable yields by sequential introduction of two distal or proximal polyethylene glycolic chains with terminal hydroxyls at the lower rim, monotosylation, and intramolecular ring closure reaction. According to the two-phase extraction experiment, the title compounds showed mediocre affinity for alkali and alkaline earth metal picrates. The 1,2-calix[4]crown-9 extracted Sr²⁺ selectively among other alkaline earth metal cations.     

Reverse self-assembly: (111)-oriented gold crystallization at alkylthiol monolayer templates

It has long been known that thiol-terminated molecules self-assemble as commensurate monolayers on Au(111) surfaces. By spreading floating octadecanethiol monolayers on aqueous solutions of chloroauric acid (HAuCl4) and using x rays to reduce the gold ions as well as to probe the structure, we have observed the nucleation of (111)-oriented Au nanoparticles at thiol surfaces. This process may be similar to the formation of biogenic gold by bacteria. The thiol monolayer acts as a "soft template," changing its structure as Au crystals form so that there is a sqrt[3]×sqrt[3] commensurate relationship.     

Oxidation of Pt(111) under near-ambient conditions

The oxidation of Pt(111) at near-ambient O2 pressures has been followed in situ using x-ray photoelectron spectroscopy (XPS) and ex situ using x-ray absorption spectroscopy (XAS). Polarization-dependent XAS signatures at the O K edge reveal significant temperature- and pressure-dependent changes of the Pt-O interaction. Oxide growth commences via a PtO-like surface oxide that coexists with chemisorbed oxygen, while an ultrathin α-PtO2 trilayer is identified as the precursor to bulk oxidation. These results have important implications for understanding the chemical state of Pt in catalysis.     

Solution to the MHD flow over a non-linear stretching sheet by homotopy perturbation method

In this study,by means of homotopy perturbation method(HPM) an approximate solution of the magnetohydrodynamic(MHD) boundary layer flow is obtained.The main feature of the HPM is that it deforms a difficult problem into a set of problems which are easier to solve.HPM produces analytical expressions for the solution to nonlinear differential equations.The obtained analytic solution is in the form of an infinite power series.In this work,the analytical solution obtained by using only two terms from HPM soluti...     

Spectral asymptotics and basis properties of fourth order differential operators with regular boundary conditions

In this paper, we consider the problem where λ is a spectral parameter; q(x) ∈ L₁(0,1) is complex‐valued function; α_s, s = 1,2,3, are arbitrary complex constants that satisfy α₂ = α₁ + α₃ and σ = 0,1. The boundary conditions of this problem are regular, but not strongly regular. Asymptotic formulae for eigenvalues and eigenfunctions of the considered boundary value problem are established. It is proved that all the eigenvalues, except for finite number, are simple and the system of root functions of this spectral problem forms a basis in the space L_p(0,1), 1 < p < ∞ , when ; moreover, this basis is unconditional for p = 2. We note that the considered problem was previously investigated in the condition of α₂ ≠ α₁ + α₃. Copyright © 2013 John Wiley & Sons, Ltd.     

Relaxed Hyperelastic Curves on a Non-Degenerate Surface

We study the variational problem belonging to a relaxed hyperelastic curve for non-null curve on a non-degenerate surface in Minkowski three-space \({E_{1}^{3}}\) . Firstly, we derive the intrinsic equations for a relaxed hyperelastic curve and we give the necessary condition for being relaxed hyperelastic curve of any non-null geodesic on the surface in \({E_{1}^{3}}\) . Then, we examine this formulation on non-null geodesics of pseudo-plane, pseudo-sphere \({S_{1}^{2}(r) }\) , hyperbolic space \({H_{0}^{2}(r)}\) and pseudo-cylinder \({C_{1}^{2}(r)}\) .     

Thermal Decomposition Kinetics of Some Metal Complexes of 2,3-Hydroxyimino-4-phenyl-6-phenyazo-1-thia-4,5-diazacyclohexa-5-diene

The Ni(II), Cu(II) Co(II) and Zn(II) complexes of 2,3‐hydroxyimino‐4‐phenyl‐6‐phenyazo‐1‐thia‐4,5‐diaza‐ cyclohexa‐5‐diene (H₂L) were synthesized. Thermal behavior of these complexes was studied in dynamic nitrogen atmosphere by TA (thermogravimetric analysis), DTA (differential thermal analysis) and DTG (differential thermal gravimetry) techniques. The reaction order, the activation energies, the entropies, the enthalpies, the free energies, and the pre‐exponential factors of the thermal decomposition reactions were calculated from the thermogravimetric curves. The kinetic analysis of the thermogravimetric data was performed by using several methods such as MacCallum‐Tanner (MT), van Krevelen (vK), Madhusudanan‐Krishnan‐Ninan (MKN), Wanjun‐Yuwen‐Hen‐Cunxin (WYHC), Horowitz‐Metzger (HM) and Coats‐Redfern method (CR) based on the single heating rate. Most appropriate methods were determined for each decomposition step according to the least‐square linear regression. The Ni(II), Cu(II) Co(II) and Zn(II) complexes displayed one‐ or two‐stage decomposition pattern when heating in a dynamic nitrogen atmosphere and metal oxides remained as end products of the complexes. The characterization of the end products of the decomposition was performed by X‐ray diffraction.     

A novel approach for strong S-Box generation algorithm design based on chaotic scaled Zhongtang system

Nonlinear Dynamics - Substitution Box (S-Box) is one of the most significant structures used to create an encryption which is strong and resistant against attacks in block encryption algorithms....     

Experimental and computational studies on (<Emphasis Type="Italic">Z</Emphasis>)-1-((4-phenylamino)phenylamino)-methylene)naphthalen-2(1<Emphasis Type="Italic">H</Emphasis>)-one

The Schiff base compound (Z)-1-((4-phenylamino)phenylamino)methylene)naphthalen-2(1H)-one has been synthesized and characterized by IR, UV–Vis, and X-ray single-crystal determination. Molecular geometry from X-ray experiment of the title compound in the ground state have been compared using the Hartree–Fock (HF) and density functional method (B3LYP) with 6−31G(d,p) basis set. Calculated results show that density functional theory DFT and HF can well reproduce the structure of the title compound. Using the time-dependent density functional theory (TD-DFT) and Hartree–Fock (TD-HF) methods, electronic absorption spectra of the title compound have been predicted and a good agreement with the TD-DFT method and experimental ones is determined. The energetic behavior of the title compound in solvent media has been examined using B3LYP method with the 6−31G(d,p) basis set by applying the polarizable continuum model (PCM). The total energy of the title compound decreases with increasing polarity of the solvent. In addition, DFT calculations of the title compound, molecular electrostatic potential (MEP), natural bond orbital analysis (NBO), and non-linear optical (NLO) properties were performed at B3LYP/6−31G(d,p) level of theory.