The periodic table of urea derivative: small molecules of zinc(II) and nickel(II) of diverse antimicrobial and antiproliferative applications

Molecular Diversity - Two complexes of Zn(II) and Ni(II) ions with the urea derivative, 2-benzimidazolyl-urea (BZIMU), of formulae [ZnBZIMU)2(H2O)](NO3)2 (1) and [Ni(BZIMU)2(CH3CH2OH)2](NO3)2 (2)...     

The effects of temperature and hydrostatic pressure on the photoionization cross-section and binding energy of shallow donor impurities in quantum dots

Using a variational approach, we have calculated the hydrostatic pressure and temperature effects on the donor impurity related photoionization cross-section and impurity binding in GaAs/GaAlAs quantum dots. Our calculations have revealed the dependence of the photoionizaton cross-section and the impurity binding on temperature and hydrostatic pressure.     

The effects of temperature and hydrostatic pressure on the photoionization cross-section and binding energy of impurities in quantum-well wires

Using a variational approach, we have calculated the donor impurity related photoionization cross-section and impurity binding in GaAs/GaAlAs quantum-well wires under different temperature and hydrostatic pressure conditions. Our calculation have revealed the dependence of the photoionization cross-section and the impurity binding on temperature and hydrostatic pressure.     

Monobridged Si2H4

The rotational spectrum of a new monobridged isomer of Si(2)H(4), denoted here as H(2)Si(H)SiH, has been detected by Fourier transform microwave spectroscopy of a supersonic molecular beam through the discharge products of silane. On the basis of high-level coupled cluster theory, this isomer is calculated to lie only 7 kcalmol above disilene (H(2)SiSiH(2)), the most stable isomeric arrangement of Si(2)H(4), and to be fairly polar, with a calculated dipole moment of mu = 1.14 D. The rotational spectrum of H(2)Si(H)SiH exhibits closely spaced line doubling, characteristic of a molecule undergoing high-frequency inversion. Transition state calculations indicate that inversion probably occurs in two steps: migration of the bridged hydrogen atom to form silylsilylene, H(3)SiSiH, and then internal rotation of the SiH(3) group, followed by the reverse process. The potential energy surface for this type of inversion is quite shallow, with a barrier height of only 2-3 kcalmol. Searches for the rotational lines of silylsilylene, calculated to be of comparable stability to H(2)Si(H)SiH but about five times less polar (mu = 0.23 D), have also been undertaken, so far without success, even though strong lines of H(2)Si(H)SiH have been detected. The favorable energetics and high polarity of monobridged Si(2)H(4) with respect to either disilene or silylsilylene make it a plausible candidate for radioastronomical detection in sources such as IRC + 10216, where comparably large silicon molecules such as SiS, SiC(3), and SiC(4) have already been discovered.     

Two new benzylisoquinoline alkaloids from Papaver triniifolium

From the aerial parts of Papaver triniifolium Boiss. (Papaveraceae) collected from Erzincan (Eastern Anatolia), two new benzylisoquinoline alkaloids, miltanthoridine and miltanthoridinone were isolated. Their structures were established through the use of UV, EIMS, and NMR techniques.     

Elliptic boundary value problems with Gaussian white noise loads

Linear second order elliptic boundary value problems (BVP) on bounded Lipschitz domains are studied in the case of Gaussian white noise loads. The challenging cases of Neumann and Robin BVPs are considered.The main obstacle for usual variational methods is the irregularity of the load. In particular, the Neumann boundary values are not well-defined.In this work, the BVP is formulated by replacing the continuity of boundary trace mappings with measurability. Instead of variational methods alone, the novel BVP derives also from Cameron–Martin space techniques.The new BVP returns the study of irregular white noise to the study of $L^2$-loads.     

Preparation of conducting poly(vinyl chloride)/polyindole composites and freestanding films via chemical polymerization

This study covers the synthesis of conducting polyindole (PIN) homopolymer, poly(vinyl chloride)/polyindole (PVC/PIN) composites, and preparation of their freestanding films. PIN and composites were synthesized chemically by radicalic mechanism using FeCl₃ as an initiator. Films of PVC and PVC/PIN composites were prepared by casting on glass Petri dishes. Mechanical properties of films were examined by stress–strain experiments. From FTIR spectra of polymers, it was revealed that polymerization reaction occurred by 2–3 mechanism. The conductivities of polymers at different temperatures were also measured by four‐probe technique and found in the range 10^?4 to 10^?5 S cm^?1. Magnetic properties of the polymers were analyzed by Gouy scale measurements and were found that their conducting mechanisms are of polaron and bipolaron natures. Thermal properties of polymers were investigated by differential scanning calorimetry (DSC) and thermogravimetric analysis (TGA) and found that they had shown adequate thermal stability. X‐ray diffraction (XRD) spectra showed the amorphous nature of the polymers. Scanning electron microscopy (SEM) was used for microstructural analysis. © 2010 Wiley Periodicals, Inc. J Polym Sci Part B: Polym Phys 48: 1290–1298, 2010     

Structure of 2-{2-[3-methyl-3-(2,4,6-trimethylphenyl) cyclobutyl]-2-oxoethyl}isoindole-1,3-dione

2-{2-[3-Methyl-3-(2,4,6-trimethylphenyl)cyclobutyl]-2-oxoethyl}isoindole-1,3-dione (C₂₄ H₂₅NO₃) was synthesized, and its crystal structure was determined by X-ray crystallographic techniques. The compound crystallizes in the triclinic space group P-1, with unit cell parameters: a = 14.109(9) Å, b = 14.130(8) Å, c = 12.152(6) Å, = 105.62(5)°, = 113.75(4)°, = 98.78(5)°, V = 2039.8(19) ų, D _c= 1.223 g/cm³, and Z = 4. The crystal structure has two crystallographically independent molecules, I and II. These molecules are held together by weak intermolecular C—H···O interactions, forming a continuous chain. The dihedral angles between the N-substituted phthalimide moiety and cyclobutane ring in molecules I and II are 60.37(14) and 68.18(18)°, respectively.     

Magnus’ expansion for time-periodic systems: Parameter-dependent approximations

Magnus’ expansion solves the nonlinear Hausdorff equation associated with a linear time-varying system of ordinary differential equations by forming the matrix exponential of a series of integrated commutators of the matrix-valued coefficient. Instead of expanding the fundamental solution itself, that is, the logarithm is expanded. Within some finite interval in the time variable, such an expansion converges faster than direct methods like Picard iteration and it preserves symmetries of the ODE system, if present. For time-periodic systems, Magnus expansion, in some cases, allows one to symbolically approximate the logarithm of the Floquet transition matrix (monodromy matrix) in terms of parameters. Although it has been successfully used as a numerical tool, this use of the Magnus expansion is new. Here we use a version of Magnus’ expansion due to Iserles [Iserles A. Expansions that grow on trees. Not Am Math Soc 2002;49:430–40], who reordered the terms of Magnus’ expansion for more efficient computation. Though much about the convergence of the Magnus expansion is not known, we explore the convergence of the expansion and apply known convergence estimates. We discuss the possible benefits to using it for time-periodic systems, and we demonstrate the expansion on several examples of periodic systems through the use of a computer algebra system, showing how the convergence depends on parameters.