Tributylphosphine-Catalyzed Stereoselective O-Vinylation of 2-Hydroxybenzaldehyde Derivatives

Protonation of the highly reactive 1:1 intermediates, produced in the reaction between tributylphosphine and alkyl acetylenecarboxylates by 2-hydroxybenzaldehyde derivatives, leads to vinyltributylphosphonium salts, which undergo a Michael addition reaction with conjugate base to produce corresponding phosphorus ylides. The phosphorus ylides convert to electron-poor O-vinyl ether derivatives under reaction conditions.     

Effect of methyl groups substitution on the strength of intramolecular hydrogen bonding of naphthazarin: DFT and NBO studies

A density functional theory (DFT) study-based method B3LYP/6-311++G** was carried out to investigate the methyl groups substitution effect on the structure and the strength of intramolecular hydrogen bonding in naphthazarin (NZ) (5,8-dihydroxy-1,4-naphthoquinone). The full geometry optimization of molecular structures, the difference between the energies of hydrogen-bonded and non-hydrogen-bonded rotamers, and the proton chemical shift of the hydroxyl groups in NZ and its methyl substituents obtained at the B3LYP/6-311++G** level. The vibrational frequencies of all samples and their deuterated analogues were calculated at the same theoretical level. The ¹H chemical shifts for NZ and its methyl substituents were computed at the B3LYP/6-311++G** level using the gauge-including atomic orbital method. Furthermore, in order to investigate the changes in bond order, electron density, electron delocalization, and steric effects caused by methyl substituents, natural bond orbital analysis were carried out at the B3LYP/6-311++G** level. After comparing these effective parameters in methyl substituents with those of their parent, NZ, we concluded that, in general, intramolecular hydrogen bonding strength increases by substituting methyl groups in the different positions of NZ.     

The L<Superscript>2</Superscript>-convergence of the Legendre spectral Tau matrix formulation for nonlinear fractional integro differential equations

The operational Tau method, a well known method for solving functional equations is employed to approximate the solution of nonlinear fractional integro-differential equations. The fractional derivatives are described in the Caputo sense. The unique solvability of the linear Tau algebraic system is discussed. In addition, we provide a rigorous convergence analysis for the Legendre Tau method which indicate that the proposed method converges exponentially provided that the data in the given FIDE are smooth. To do so, Sobolev inequality with some properties of Banach algebras are considered. Some numerical results are given to clarify the efficiency of the method.     

Optimization of a quantum-dot semiconductor optical amplifier (QD-SOA) design using the genetic algorithm

Optical and Quantum Electronics - We review a novel approach to the light scattering by small layered particles in the electrostatic limit when the particle is considered to be in the uniform...     

Effect of sepiolite nanoparticles on the properties of novel poly(sulfone ether imide)

A new poly(sulfone ether imide) was prepared, and related nanocomposites were produced through introduction of sepiolite nanoparticles into the matrix of polymer. Inherent viscosity, thermal and mechanical features of pristine poly(sulfone ether imide), and nanocomposite samples were evaluated and compared. The crystallinity was also investigated. Dispersion and distribution behaviors of nanocomposite samples and cross‐sectional morphology of nanocomposite films were also studied. Also, the optimized amounts of sepiolite nanoparticles in the matrix of polymer were determined by microscopic techniques (scanning electron microscope and transmission electron microscope). By introduction of 3 wt% of sepiolite, superior thermal and mechanical properties were observed. Copyright © 2016 John Wiley & Sons, Ltd.     

Effective oxidation of sulfides to sulfoxides with hydrogen peroxide under transition-metal-free conditions

A "green" highly selective oxidation of organic sulfides to the corresponding sulfoxides was developed using hydrogen peroxide and glacial acetic acid under transition metal-free and mild conditions. The oxidation procedure is very simple and the products are easily isolated in excellent yields (90-99%).     

Constructing Environmental Radon Gas Detector and Measuring Concentration in Residential Buildings

Physics of Particles and Nuclei Letters - Background: From the health physics perspective, radon gas is one of the most dangerous gases in residential and business environments. According to the...     

Facile synthesis of 1H-pyrazolo[1,2-a]pyridazine-5,8-dione derivatives by a one-pot, three-component reactions

Protonation of the highly reactive 1:1 intermediate produced in the reaction between alkyl or aryl isocyanides and electron-deficient acetylenic esters with 3,6-dihydroxypyridazine, leads to a vinylisonitrilium cation, which undergoes an addition reaction with the conjugate base of the 3,6-dihydroxypyridazine to produce dialkyl 3-(alkyl or arylamino)-5,8-dioxo-5,8-dihydro-1H-pyrazolo[1,2-a]pyridazine-1,2-dicarboxylates in good yields at room temperature.