Preparation and characterization of Cu (II) Schiff base complex functionalized boehmite nanoparticles and its application as an effective catalyst for oxidation of sulfides and thiols

The synthesis, characterization, and evaluation of a Schiff base Cu (II) complex functionalized boehmite nanoparticles (Cu-complex-boehmite) as a new catalyst for oxidation of sulfides and thiols in the presence of hydrogen peroxide with complete selectivity and high conversion under solvent-free and mild reaction conditions were reported. Characterization of the catalyst was performed with various physicochemical methods. This effective catalyst was evaluated in terms of activity and reusability. It indicated high catalytic activity, good recoverability and reusability, and supplied the corresponding products in high yields and short reaction times. In addition, it shows notable advantages such as simplicity of operation, heterogeneous nature, easy work up, and it could be used at least eight times with no significant loss of its activity.     

Effect of hydrogen bonds on pKa values: importance of networking

The pK(a) of an acyclic aliphatic heptaol ((HOCH(2)CH(2)CH(OH)CH(2))(3)COH) was measured in DMSO, and its gas-phase acidity is reported as well. This tertiary alcohol was found to be 10(21) times more acidic than tert-butyl alcohol in DMSO and an order of magnitude more acidic than acetic acid (i.e., pK(a) = 11.4 vs 12.3). This can be attributed to a 21.9 kcal mol(-1) stabilization of the charged oxygen center in the conjugate base by three hydrogen bonds and another 6.3 kcal mol(-1) stabilization resulting from an additional three hydrogen bonds between the uncharged primary and secondary hydroxyl groups. Charge delocalization by both the first and second solvation shells may be used to facilitate enzymatic reactions. Acidity constants of a series of polyols were also computed, and the combination of hydrogen-bonding and electron-withdrawing substituents was found to afford acids that are predicted to be extremely acidic in DMSO (i.e., pK(a) < 0). These hydrogen bond enhanced acids represent an attractive class of Br?nsted acid catalysts.     

2-[(4-Aminobutyl)ferrocenylmethylidene]-5,6-dimethoxy-1-indanone derivatives: Synthesis,characterization, and investigation of electro-optical properties

A ferrocenyl-based, chromophore-containing 1-indanone derivative was synthesized through crotonic condensation between 4-chlorobutylferrocenecarboxaldehyde and 5,6-dimethoxy-1-indanone followed by the nucleophilic substitution of chlorine atom of the obtained dyad with different aromatic and aliphatic amines. The electrochemical and optical properties of the synthesized compounds were investigated to explore the relationship between their structures and optical and electrochemical properties. The bandgaps determined from optical absorption spectra ranged from 2.05 to 2.15 eV. The important electrochemical parameters, including the peak potential separation, peak current ratios, and the dependence of peak currents on the scan rate, were studied. Results showed an electrochemically reversible redox system with diffusion-controlled redox process for the synthesized compounds. The study of quantum chemistry was performed on the synthesized compounds using the density functional theory approach. The B3LYP method and 6-311 G(d) basis set were used for optimizing the structures in the gas phase. The theoretical and experimental results show that these compounds can be considered as candidates to be used in optical applications.     

On stability of collaborative supplier selection

This note discusses the possibility of fair gain sharing in cooperative situations where players optimally partition themselves across a number of alternative channels. An example is group purchasing among a set of buyers facing with a range of suppliers. We introduce channel selection games as a new class of cooperative games and give a representation of their cores. With two channels (suppliers), the game has a non-empty core if the gain functions across every individual channel is supermodular.     

Transshipment games with identical newsvendors and cooperation costs

In a transshipment game, supply chain agents cooperate to transship surplus products. Although the game has been well studied in the OR literature, the fundamental question whether the agents can afford cooperation costs to set up and maintain the game in the first place has not been addressed thus far. This paper addresses this question for the cooperative transshipment games with identical agents having normally distributed independent demands. We provide characterization of equal allocations which are in the core of symmetric games, and prove that not all transshipment games are convex. In particular, we prove that though individual allocations grow with the coalition size, the growth diminishes according to two rules of diminishing individual allocations. These results are the basis for studying the games with cooperation costs. We model the cooperation costs by the cooperation network topology and the cooperation cost per network link. We consider two network topologies, the clique and the hub, and prove bounds for the cost per link that render coalitions stable. These bounds always limit coalition size for cliques. However, the opposite is shown for hubs, namely newsvendors can afford cooperation costs only if their coalition is sufficiently large.     

On characterization of the core of lane covering games via dual solutions

The lane covering game (LCG) is a cooperative game where players cooperate to reduce the cost of cycles that cover their required lanes on a network. We discuss the possibilities/impossibilities of a complete characterization of the core via dual solutions in LCGs played among a collection of shippers, each with a number of service requirements along some lanes, and show that such a complete characterization is possible if each shipper has at most one service requirement.     

Design and optimization of a nano-antenna hybrid structure for solar energy harvesting application

A novel hybrid structure with high responsivity and efficiency is proposed based on an L-shaped frame nano-antenna(LSFNA) array for solar energy harvesting application. So, two types of LSFNAs are designed and optimized to enhance the harvesting characteristics of traditional simple electric dipole nano-antenna(SEDNA). The LSFNA geometrical dimensions are optimized to have the best values for the required input impedance at three resonance wavelengths of λres = 10 μm,15 μm, and 20 μm. Then the LSFNAs with three different sizes are modeled like a planar spiral-shaped array(PSSA).Also, a fractal bowtie nano-antenna is connected with the PSSA in the array gap. This proposed hybrid structure consists of two main elements:(I) Three different sizes of the LSFNAs with two different material types are designed based on the thin-film metal–insulator–metal diodes that are a proper method for infrared energy harvesting.(II) The PSSA gap is designed based on the electron field emission proposed by the Fowler–Nordheim theory for the array rectification. Finally,the proposed device is analyzed. The results show that the PSSA not only has an averaged 3-time enhancement in the harvesting characteristics(such as return loss, harvesting efficiency, etc.) than the previously proposed structures but also is a multi-resonance wide-band device. Furthermore, the proposed antenna takes up less space in the electronic circuit and has an easy implementation process.     

Direct carboxylation of aromatic compounds using the sodium hydrogen carbonate/triphenylphosphine ditriflate system

A new procedure was developed for the highly regioselective synthesis of aromatic carboxylic acids using the sodium hydrogen carbonate/triphenylphosphine ditriflate system in ethanol at room temperature. This metal-free system was used for the carboxylation of thiophenol with unexpected products in terms of selectivity. The simplicity of the procedure, readily available aromatic compounds, short reaction times, and mild reaction conditions are other advantages of this protocol.