DFT Study of Donor-Acceptor-Donor [1,2,5]Thiadiazolo[3,4-c]pyridine Conjugated Polymer for Solar Cell Application

Theoretical and Experimental Chemistry - Using the density functional theory (DFT) method, the electronic and optical properties of the most stable conformers of the di(selenophen-2-yl)...     

Throughput-efficient coalition formation of selfish/altruistic nodes in ad hoc networks: a hedonic game approach

In this paper, we analyze the problem of throughput-efficient distributed coalition formation (CF) of selfish/altruistic nodes in ad hoc radio networks. We formulate the problem as a hedonic CF game with non-transferable utility and propose different preference relations (CF rules) based on individual/group rate improvement of distributed nodes. We develop a hedonic CF algorithm, through which distributed nodes may self-organize into stable throughput-efficient disjoint coalitions. We apply the concept of frequency reuse over different coalitions, such that the members of each coalition will transmit over orthogonal sub-bands with the available spectrum being optimally allocated among them. We study the computational complexity and convergence properties of the proposed hedonic CF algorithm under selfish and altruistic preferences, and present means to guarantee Nash-stability. In addition, we identify the scenarios in which a CF process might lead to instability (CF cycle), and we propose methods to avoid cycles and define different exit procedures if a CF cycle is inevitable. Performance analysis shows that the proposed algorithm with optimal bandwidth allocation provides a substantial gain, in terms of average payoff per link, over existing coalition formation algorithms for a wide SNR range.     

Effects of heat treatment on noise spectrum in Au-InP Schottky barriers

Measurements are reported on low frequency noise in Au-InP Schottky diodes after heating cycles. An 1/f noise component was dominant in annealing time range before 80 min. Observation of G-R noise spectra are achieved for long-term operations. Noise measurements between 77 K and 300 K have given the time constants and the activation energies of five trapping levels. The G-R processes are attributed to traps due to gold contamination in the depletion region.     

Textural,structural and catalytic behavior of low specific area silica-supported copper catalysts: effect of preparation method

Supported copper catalysts on low surface area silica were prepared by several methods and characterized by AAS, XRD, N₂ adsorption, SEM, H₂-TPR, N₂O titration, TGA-DTA, UV–Vis techniques. Their hydrogenating properties were examined in the gas-phase hydrogenation of benzaldehyde. The analysis of characterization results revealed that the choice of preparation method affected the texture, composition, and structure of the calcined and reduced Cu/SiO₂ catalysts. The dispersion and size distribution of copper species was present in different forms in the catalysts that exhibited low specific surface areas. In gas-phase hydrogenation of benzaldehyde to benzyl alcohol, the catalysts tested at the reaction temperatures of 160 and 200 °C were stable and conducted to a good catalytic activity and benzyl alcohol selectivity ranging between 5 and 39 µmol min^?1 g^?1 and 0–95%, respectively. The activity of the catalysts in gas-phase hydrogenation also depended on the particle size and the nature of copper species formed on low surface area silica.     

Facile solvent-free synthesis and structural elucidation of styrylcyclohex-2-enone derivatives

A remarkably efficient procedure for the synthesis of styrylcyclohex-2-enone derivatives at room temperature is described using a mild reaction medium consisting of lithium perchlorate and N-(trimethylsilyl)diethylamine. Several compounds of this class are synthesized conveniently and rapidly. Spectroscopic and X-ray diffraction experiments confirm the proposed structures. Correspondence: Mohammad M. Mojtahedi and Mohammad Saeed Abaee, Organic Chemistry Laboratory, Chemistry and Chemical Engineering Research Center of Iran, P.O. Box 14335-186, Tehran, Iran.     

Facile solvent-free synthesis and structural elucidation of styrylcyclohex-2-enone derivatives

A remarkably efficient procedure for the synthesis of styrylcyclohex-2-enone derivatives at room temperature is described using a mild reaction medium consisting of lithium perchlorate and N-(trimethylsilyl)diethylamine. Several compounds of this class are synthesized conveniently and rapidly. Spectroscopic and X-ray diffraction experiments confirm the proposed structures.     

High-performance liquid chromatography quantification of principal antioxidants in black seed (Nigella sativa L.) phytopharmaceuticals

A new, simple, sensitive, rapid, and accurate isocratic RP-HPLC method was developed and validated for simultaneous analysis of the principal antioxidants of Nigella sativa, i.e., thymoquinone (TQ), carvacrol (CR), and its isomer thymol (THY), in different phytopharmaceuticals. The mobile phase was water-methanol (40 + 60, v/v) at a flow rate of 1.5 mL/min. Quantification was achieved with UV detection at 254 nm, based on peak area. The method was validated for linearity, accuracy, precision, selectivity, and robustness. The proposed method is stability-indicating for determination of TQ in the presence of its degradants. The LOD and LOQ (microg/mL) were, respectively, 0.006 and 0.021 for TQ, 0.002 and 0.006 for CR, and 0.027 and 0.090 for THY. The mean recoveries measured at three concentrations were higher than 99%, with RSD <2%. This analytical method is suitable for quality control of the marker substances in this widely used natural protective and curative remedy.