Thermodynamic Consistency Test of Vapor–liquid Equilibrium Data of Binary Systems Including Carbon Dioxide (CO 2 ) and Ionic Liquids Using the Generic Redlich–Kwong Equation of State

The thermodynamic consistency test of solubility P–T–x data for binary mixtures including carbon dioxide (CO2) + a room temperature ionic liquid has been investigated. Experimental solubility data taken from the open literature for 32 binary mixtures of CO2/RTILs contains 80 isotherms. The applied consistency test is based on the fundamental Gibbs–Duhem equation with use of the generic Redlich–Kwong (GRK) equation of state (EoS) coupled with the van der Waals–Berthelot (GRK/vdWB) mixing rule. The optimum parameters were obtained by minimizing the summation of per cent relative deviations between modeled and experimental data, based on the bubble pressure algorithm. Modeling was found acceptable for all isotherms, which demonstrated the usability of the GRK equation of state. Results of the thermodynamic consistency test showed that 36 of the isothermal data sets were thermodynamically consistent, 37 were not fully consistent, 6 were thermodynamically inconsistent and only one data set was found to need another model.     

Synthesis and reactions of hydroxyspiro[5.2]cyclooctenones based on the cyclization of the dianions of acetone and diethyl 2-oxopropylphosphonate with 1,1-diacylcyclopropanes

The cyclization of the dianions of diethyl 2-oxopropylphosphonate and of acetone with 1,1-diacylopropanes afforded hydroxyspiro[5.2]cyclooctenones which were transformed, by homo-Michael reactions with tetrabutylammonium halides, into various functionalized phenols or their dimers.     

One-pot synthesis of 1,2,3-triazole linked dihydropyrimidinones via Huisgen 1,3-dipolar/Biginelli cycloaddition

The combination of the Biginelli reaction with click chemistry has been used for the one-pot synthesis of 1,2,3-triazole linked dihydropyrimidinones from azides, aromatic aldehydes containing a propargyl ether group, urea, and 1,3-dicarbonyl compounds using Cu(OAc)₂/sodium ascorbate as catalyst in acetic acid under mild reaction conditions.     

Rating players in test match cricket

In general, the evaluation of player performance in test cricket is based on measures such as batting and bowling averages. These measures have a number of limitations, among which is that they fail to take into account the context in which runs are made or conceded and wickets are taken or given away. Furthermore, batting and bowling averages do not allow the comparison of performances in these two disciplines; this is because batting and bowling performances are measured using different metrics. With these issues in mind, we develop a new player rating system for test cricket. We use multinomial logistic regression to model match outcome probabilities session by session. We then use these probabilities to measure the overall contribution of players to the match outcome based on their individual batting, bowling and fielding contributions during each session. Our measure of contribution has the potential for rating players over time and for determining the ‘best’ player in a match, a series or a calendar year. We use results from 104 matches (2010–2012) to illustrate the method.     

SPH modelling of depth‐limited turbulent open channel flows over rough boundaries

A numerical model based on the smoothed particle hydrodynamics method is developed to simulate depth‐limited turbulent open channel flows over hydraulically rough beds. The 2D Lagrangian form of the Navier–Stokes equations is solved, in which a drag‐based formulation is used based on an effective roughness zone near the bed to account for the roughness effect of bed spheres and an improved sub‐particle‐scale model is applied to account for the effect of turbulence. The sub‐particle‐scale model is constructed based on the mixing‐length assumption rather than the standard Smagorinsky approach to compute the eddy‐viscosity. A robust in/out‐flow boundary technique is also proposed to achieve stable uniform flow conditions at the inlet and outlet boundaries where the flow characteristics are unknown. The model is applied to simulate uniform open channel flows over a rough bed composed of regular spheres and validated by experimental velocity data. To investigate the influence of the bed roughness on different flow conditions, data from 12 experimental tests with different bed slopes and uniform water depths are simulated, and a good agreement has been observed between the model and experimental results of the streamwise velocity and turbulent shear stress. This shows that both the roughness effect and flow turbulence should be addressed in order to simulate the correct mechanisms of turbulent flow over a rough bed boundary and that the presented smoothed particle hydrodynamics model accomplishes this successfully. © 2016 The Authors International Journal for Numerical Methods in Fluids Published by John Wiley & Sons Ltd     

Structure determination of bioactive galloyl derivatives by NMR spectroscopy

The investigation of the chemical constituents of Symplocos racemosa Roxb led to the isolation of two new glycosides, symcomoside A (1) and symcomoside B (2), together with one known glycoside, tortoside C (3), which is reported for the first time from this plant. The structures of the new compounds were determined by 1D and 2D homonuclear and heteronuclear NMR spectroscopy, from chemical evidence and by comparison with published data for closely related compounds. Symcomoside B (2) showed potent inhibitory activity against alpha-glucosidase in a concentration-dependent fashion with an IC50 value of 0.733 +/- 0.033 mM whereas symcomoside A (1) showed very weak inhibitory activity against alpha-glucosidase (9.90% in 0.70 mM).     

Palladium-catalyzed oxidative C–H bond coupling of indoles and benzaldehydes: a new approach to the synthesis of 3-benzoylindoles

A palladium-catalyzed dehydrogenative acylation of indoles using easily accessible aldehydes as the acyl source is described. This reaction provides a new approach for the synthesis of 3-acylindoles.     

Electrochemical Determination of Dextromethorphan on Reduced Graphene Oxide Modified Screen‐Printed Electrode after Electromembrane Extraction

In this paper, electromembrane extraction coupled with differential pulse voltammetry (DPV) on a reduced graphene oxide modified screen‐printed carbon electrode (RGO‐SPCE) for the determination of dextromethorphan (DXM) in urine and plasma has been described. DXM migrated from 4 mL of a donor phase across a thin layer of 2‐nitrophenyl octyl ether (NPOE) immobilized in the pores of a porous hollow fiber, into a 20 µL acceptor phase (HCl) present inside the lumen of the fiber. Then, 15 µL of a 0.1 M NaOH solution was added to the acceptor phase and the mixture was analyzed using DPV.     

Synthesis,anticancer, and computational studies of 1, 3, 4-oxadiazole-purine derivatives

Theophylline-7-acetic acid (acefylline) ( 3 ) and its derivatives are pharmacologically active compounds and generally recognized as bronchodilators for the treatment of respiratory diseases like acute asthma for over 70 years. In this article, synthesis of 2-((5-((1,3-dimethyl-2,6-dioxo-2,3-dihydro-1H-purin-7(6H)-yl)methyl)-1,3,4-oxadiazol-2-yl)thio)-N-arylacetamides ( 10a-j ) has been reported. All the synthesized derivatives ( 10a-j) were structurally verified by FT-IR, ¹H NMR, ¹³C NMR and evaluated for their anti-cancer (using MTT assay), hemolytic and thrombolytic potential. N-(4-Chlorophenyl)-2-(5-((1,3-dimethyl-2,6-dioxo-2,3-dihydro-1H-purin-7(6H)-yl)methyl)-1,3,4-oxadiazol-2-ylthio)acetamide ( 10g ) was found to be the most active against human liver cancer cell lines (Huh7) having cell viability 53.58 ± 1.28 using 100 μg/mL concentration of compound which was further in-silico modelled to describe the possible mechanistic insights for its anti-proliferative activity. The results of hemolytic and thrombolytic activities indicated that these derivatives were less toxic and hold considerable potential as a drug candidate. 2-(5-((1,3-Dimethyl-2,6-dioxo-2,3-dihydro-1H-purin-7(6H)-yl)methyl)-1,3,4-oxadiazol-2-ylthio)-N-(2-fluorophenyl)acetamide ( 10c ) of the series was found to be least toxic with 0.1% hemolysis relative to ABTS (95.5%) as positive control. 2-(5-((1,3-Dimethyl-2,6-dioxo-2,3-dihydro-1H-purin-7(6H)-yl)methyl)-1,3,4-oxadiazol-2-ylthio)-N-(tetrahydro-2H-pyran-4-yl)acetamide ( 10j ) exhibited potent clot lysis activity (90%) as compared to negative control DMSO (0.57%).     

Lithium‐Salt‐Containing High‐Molecular‐Weight Polystyrene‐block‐Polyethylene Oxide Block Copolymer Films

Ionic conductivity in relation to the morphology of lithium‐doped high‐molecular‐weight polystyrene‐block‐polyethylene oxide (PS‐b‐PEO) diblock copolymer films was investigated as solid‐state membranes for lithium‐ion batteries. The tendency of the polyethylene (PEO) block to crystallize was highly suppressed by increasing both the salt‐doping level and the temperature. The PEO crystallites completely vanished at a salt‐doping ratio of Li/EO>0.08, at which the PEO segments were hindered from entering the crystalline unit of the PEO chain. A kinetically trapped lamella morphology of PS‐b‐PEO was observed, due to PEO crystallization. The increase in the lamella spacing with increasing salt concentration was attributed to the conformation of the PEO chain rather than the volume contribution of the salt or the previously reported increase in the effective interaction parameter. Upon loading the salt, the PEO chains changed from a compact/highly folded conformation to an amorphous/expanded‐like conformation. The ionic conductivity was enhanced by amorphization of PEO and thereby the mobility of the PEO blocks increased upon increasing the salt‐doping level.