Unexpected regio- and stereoselective [4 + 3] cycloaddition reaction of azomethine ylides with benzylidene thiazolidinediones: synthesis of pharmacologically active spiroindoline oxazepine derivatives and theoretical study

Molecular Diversity - An unexpected regio- and stereoselective [4?+?3] cycloaddition reaction of azomethine ylides with 5-benzylidenethiazolidine-2,4-diones has been successfully...     

Phytochemical fabrication,characterization, and antioxidant application of copper and cobalt oxides nanoparticles using <Emphasis Type="Italic">Sesbania sesban</Emphasis> plant

In this work, an ecofriendly and economic strategy for synthesize of CuO and Co₃O₄ were developed using extracted Sesbania sesban solution (ESS) as a reducing and stabilizing agent, and bioreactor. These novel nano metal oxides (NMOs) were characterized by high-resolution-transmission electron microscopy (TEM), EDAX thermo gravimetric analysis and X-ray diffraction (XRD). Morphology and size of them were investigated by TEM and the average sizes of for spherical CuO and Co₃O₄ nanoparticles are 20–40 and 15–30 nm, respectively. The XRD and EDAX confirmed the high purity for NMOs. The thermal behaviors of the NMOs exhibited good crystallographic stability within the investigated temperature range. The antioxidant and antibacterial activities of NMOs were investigated and compared to manganese(III) meso-tetraphenylporphyrin complex/Ag nanocomposite (Ag/P nanocomposite) synthesizing by ESS. The results obtained from this work showed that copper(II) oxide, cobalt oxide nanoparticles, and Ag/P nanocomposite have DPPH scavenging activity. On the other hand, NMOs have no antibacterial activity against Gram-negative bacterial strains. Cobalt oxide nanoparticles have antibacterial activity against Staphylococcus aureus, while Ag/P nanocomposite showed the antibacterial activities against both Gram-negative and Gram-positive bacterial strains.     

Structure,stability, and nature of bonding in carbon monoxide bound complexes (E = group 14 element; X = H,F, Cl,Br, I)

A density functional theory study is performed to predict the structures and stability of carbon monoxide (CO) bound (E = C, Si, Ge, Sn, Pb; X = H, F, Cl, Br, I) complexes. The possibility of bonding through both C‐ and O‐sides of CO is considered. Thermochemical analysis reveals that all the dissociation processes producing CO and are endothermic in nature whereas most of the dissociation reactions are endergonic in nature at room temperature. The nature of bonding in E? C/O bonds is analyzed via Wiberg bond index, natural population analysis, electron density, and energy decomposition analyses in conjunction with natural orbitals for chemical valence scheme. In comparison to C? O stretching frequency ( ) in free CO, while a red shift is noted in O‐side binding, the C‐side binding results in a blue shift in . The relative change in values in CO bound complexes on changing either E or X is scrutinized and possible explanation is provided in terms of polarization in the σ‐ and π‐orbitals and the relative strength of C→E or O→E σ‐donation and E→C or E→O π‐back‐donation. © 2016 Wiley Periodicals, Inc.     

On the sum of two subnormal kernels

We show, by means of a class of examples, that if $K_1$ and $K_2$ are two positive definite kernels on the unit disc such that the multiplication by the coordinate function on the corresponding reproducing kernel Hilbert space is subnormal, then the multiplication operator on the Hilbert space determined by their sum $K_1+K_2$ need not be subnormal. This settles a recent conjecture of Gregory T. Adams, Nathan S. Feldman and Paul J. McGuire in the negative. We also discuss some cases for which the answer is affirmative.     

A computational study on hydrogenation of CO2, catalyzed by a bridged B/N frustrated Lewis pair

Structural Chemistry - A DFT-based computational study has been performed on the hydrogenation of CO2, catalyzed by a bridged FLP. Formic acid might be formed in two possible pathways as revealed...     

Copper Catalyzed Oxidative Esterification of Aldehydes with Alkylbenzenes via Cross Dehydrogenative Coupling

Copper(II) as the catalyst in a cross dehydrogenative coupling (CDC) reaction has been demonstrated for the synthesis of benzylic esters using aldehydes and alkylbenzenes as coupling partners.     

Hall effects on oscillating flow due to eccentrically rotating porous disk and a fluid at infinity

Hall effects on the viscous incompressible fluid due to non-coaxial rotations of an oscillating porous disk and a fluid at infinity are studied. The velocity field, shear stresses and temperature distribution are obtained in closed form. It is found that with increase in frequency parameter, the primary velocity increases near the disk and becomes almost stationary away from the disk. The secondary velocity also increases with increase in frequency parameter. It is seen that with increase in Hall parameter, the primary velocity increases near the disk and decreases away from the disk. The reversed effect is observed for the secondary velocity. The shear stresses at the disk are also obtained. It is found that the shear stresses due to the primary and the secondary velocities decrease with increase in Hall parameter. The heat transfer characteristic is also studied on taking viscous dissipation into account. It is found that the mean temperature at the disk decreases with increase in Hall parameter.