N‐heterocyclic carbene–palladium(II) complex supported on magnetic mesoporous silica for Heck cross‐coupling reaction

Magnetic mesoporous silica was prepared via embedding magnetite nanoparticles between channels of mesoporous silica (SBA‐15). The prepared composite (Fe₃O₄@SiO₂‐SBA) was then reacted with 3‐chloropropyltriethoxysilane, sodium imidazolide and 2‐bromopyridine to give 3‐(pyridin‐2‐yl)‐1H‐imidazol‐3‐iumpropyl‐functionalized Fe₃O₄@SiO₂‐SBA as a supported pincer ligand for Pd(II). The functionalized magnetic mesoporous silica was further reacted with [PdCl₂(SMe₂)₂] to produce a supported N‐heterocyclic carbene–Pd(II) complex. The obtained catalyst was characterized using Fourier transform infrared spectroscopy, scanning electron microscopy, energy‐dispersive X‐ray analysis, vibrating sample magnetometry, Brunauer–Emmett–Teller surface area measurement and X‐ray diffraction. The amount of the loaded complex was 80.3 mg g^?1, as calculated through thermogravimetric analysis. The formation of the ordered mesoporous structure of SBA‐15 was confirmed using low‐angle X‐ray diffraction and transmission electron microscopy. Also, X‐ray photoelectron spectroscopy confirmed the presence of the Pd(II) complex on the magnetic support. The prepared magnetic catalyst was then effectively used in the coupling reaction of olefins with aryl halides, i.e. the Heck reaction, in the presence of a base. The reaction parameters, such as solvent, base, temperature, amount of catalyst and reactant ratio, were optimized by choosing the coupling reaction of 1‐bromonaphthalene and styrene as a model Heck reaction. N‐Methylpyrrolidone as solvent, 0.25 mol% catalyst, K₂CO₃ as base, reaction temperature of 120°C and ultrasonication of the catalyst for 10 min before use provided the best conditions for the Heck cross‐coupling reaction. The best results were observed for aryl bromides and iodides while aryl chlorides were found to be less reactive. The catalyst exhibited noticeable stability and reusability.     

Operator splitting for numerical solutions of the RLW Equation

In this study, the numerical behavior of the one-dimensional Regularized Long Wave (RLW) equation has been sought by the Strang splitting technique with respect to time. For this purpose, cubic B-spline functions are used with the finite element collocation method. Then, single solitary wave motion, the interaction of two solitary waves and undular bore problems have been studied and the effectiveness of the method has been investigated. The new results have been compared with those of some of the previous studies available in the literature. The stability analysis has also been taken into account by the von Neumann method.     

Flavonoid profiling in three citrus varieties native to the Republic of Korea using liquid chromatography coupled with tandem mass spectrometry: contribution to overall antioxidant activity

A mixture of flavonoid components was isolated from the fruit peel of three varieties of citrus native to Republic of Korea, Citrus leiocarpa Hort. ex Tanaka (CLHT), Citrus aurantium L. (CAL) and Citrus erythrosa Hort. (CEH), via 70% methanol extraction followed by ethyl acetate elution over a silica gel cartridge. The flavonoid components of the mixture were analyzed via high‐performance liquid chromatography–tandem mass spectrometry (HPLC‐MS/MS) in positive‐ion mode and a comparison of the reported data. Among 17 characterized components, two flavanones, four flavones and two coumarin derivatives in the fruit peel of the three varieties were identified for the first time. The individual characterized components were quantified via HPLC‐UV. The flavanones dominated in CAL, whereas the flavones prevailed in CLHT and CEH. The antioxidant activity of the flavonoid mixture of the fruit peel was determined via DPPH^?, ABTS^?+ and reducing power assays. The antioxidant activity of CEH and CAL was greater than that of CLHT. Copyright © 2011 John Wiley & Sons, Ltd.     

Quasi-coherent states for a photon in time varying dielectric media

In this study, we derive the quasi-coherent states for a photon in a medium with time varying dielectric permittivity ${?}_0{e}^{\eta t}$. We introduce a new kind of holomorphic coordinates and solve the Schrödinger equation for a harmonic oscillator with the time dependent parameters by reducing it to the Riccati equation for which the nonstationary solution gives the squeezed states of a photon with non-minimum uncertainties. We also derive the quasi-coherent states and discrete, nonstationary quantum states in the configuration space of a photon.     

On convergence,asymptotic behaviour and computational algorithm of generalized exponential integral functions arising in a radiative transfer

In this paper, we investigate uniform convergence of the generalized exponential integral functions (GEI) arising in the study of radiative transfer in a two-dimensional planar-medium and anisotropic scattering in a multidimensional medium. Using the uniform convergence, we study the properties and asymptotic behaviour of the GEI functions. We also give an efficient algorithm for the computations of the values of the GEI functions.     

Natural convection heat transfer in enclosures with conducting multiple partitions and side walls

The flow and heat transfer in enclosures with conducting multiple partitions and side walls were numerically analyzed. Side walls were kept at isothermal conditions, while top and bottom walls were insulated. Employing control volume approach, a computer program based on SIMPLE algorithm was developed. Computations were carried out to investigate the effects of Rayleigh number, number of partitions and cavity aspect ratios on the heat transfer rate. The mean Nusselt numbers were calculated from computed temperature fields. It was observed that, the mean Nusselt number decreases with increasing partition number. It is inversely proportional to (1+N) for N≤4. For all partition numbers, the mean Nusselt number increases with increasing Rayleigh number. On the other hand, the cavity aspect ratio does not affect the mean Nusselt number to a considerable extent for considered aspect ratios in this study.     

Classical and nonlinear buckling analyses of spherical sandwich shells

The buckling and initial postbuckling behavior of clamped shallow spherical sandwich shells with dissimilar face sheets under a uniform pressure is studied. The numerical results show that the buckling and initial post-buckling behavior of clamped shallow spherical sandwich shells with dissimilar face sheets is similar to that of the corresponding homogeneous shell.     

Computing robust basestock levels

This paper considers how to optimally set the basestock level for a single buffer when demand is uncertain, in a robust framework. We present a family of algorithms based on decomposition that scale well to problems with hundreds of time periods, and theoretical results on more general models.     

Spectroscopic studies, antimicrobial activities, and crystal structure of N-[2-hydroxy-1-naphthylidene]3, 5-bis(trifluoromethyl)aniline

A new Schiff base compound has been synthesized by the reaction of 2-hydroxy-1-naphthaldehyde with 3,5-bis(trifluoromethyl)aniline.The title compound was characterized by elemental analysis, IR,¹H NMR,¹³C NMR, and UV–Visible techniques.Its UV–Vis spectra was examined in polar and nonpolar solvents and in acidic and basic media. The crystal structure of the compound showed the OH group to be ortho to the imine group. It crystallizes in the monoclinic space group P2₁ with a = 11.328(2), b = 6.125(1), c = 11.937(2) ?, V = 825.1(2) ?³, D _x = 1.543 g cm⁻³and Z = 2. An intramolecular O1- H⋯N1 [2.558(7) ?] hydrogen bond stabilizes the molecule. The compound has also been characterized by its antimicrobial activities. The ligand has been screened in vitro against the organisms Escherichia coli ATCC 11230, Staphylococcus aureus ATCC 6538, Klebsiella pneumoniae UC57, Micrococcus luteus La 2971, Proteus vulgaris ATCC 8427, Pseudomonas aeruginosa ATCC 27853, Mycobacterium smegmatis CCM 2067, Bacillus cereus ATCC 7064, and Listeria monocytogenes ATCC 15313, the yeast cultures Candida albicans ATCC 10231, Kluyveromyces fragilis NRRL 2415, Rhodotorula rubra DSM 70403, Debaryomyces hansenii DSM 70238, and Hanseniaspora guilliermondii DSM 3432.