Nano Fe3O4 as magnetically recyclable catalyst for the synthesis of α-aminophosphonates in solvent-free conditions

The three component, one-pot synthesis of α-aminophosphonates has been achieved using super magnetic nano iron oxide at 50 °C under solvent-free conditions in excellent yields. The major advantages of the present method are high yields, short reaction times, magnetically recyclable catalyst, and solvent-free reaction conditions.     

1,3-Bis(2,4,6-trimethylphenyl)imidazolium chloride in combination with triethylamine: an improved catalytic system for hydroacylation/reduction of activated ketones

A rapid, economic, and high yielding methodology has been developed for hydroacylation/reduction of activated ketones by using 1,3-bis(2,4,6-trimethylphenyl)imidazolium chloride as a catalyst in combination with triethylamine. The reaction proceeded at an ambient temperature via generating N-heterocyclic carbene in situ that interacted with the (hetero)aryl aldehyde employed. While the reduction of ketones takes place in MeOH, the hydroacylation process was found to be effective in THF for both electron rich and deficient aldehydes.     

1,3-Dipolar cycloaddition of nitrile oxides to (R)-1-(1-phenylethyl)-3,5-bis[(E)-arylmethylidene]tetrahydro-4(1H)-pyridinones: synthesis and antimycobacterial evaluation of novel enantiomerically pure di- and trispiroheterocycles

Enantiomerically pure (R)-(1-phenylethyl)-3,5-bis[(E)-arylmethylidene]tetrahydro-4(1H)-pyridinones were synthesized for the first time, and their 1,3-dipolar cycloaddition with nitrile oxides affording di- and trispiroheterocycles regio- and stereoselectively in moderate yields was investigated. These compounds were evaluated against Mycobacterium tuberculosis H37Rv (MTB) and multi-drug-resistant M. tuberculosis (MDR-TB). Among the compounds screened, the dispiroheterocycle, namely, (5R,6R,10S)-3,9-bis(4-chlorophenyl)-10-(2,4-dichlorophenyl)-14-[(E)-(2,4-dichlorophenyl)methylidene]-12-[(R)-1-phenylethyl]-1,4,7-trioxa-2,8,12-tri-azadispiro[4.0.4.4]tetradeca-2,8-diene 5m was found to possess the maximum activity with MIC of 0.49 μM against MTB, being 9.6 and 15.6 times more potent than ciprofloxacin and ethambutol, respectively. Against MDR-TB, 5m displayed maximum activity with an MIC of 0.49 μM, with it thus being more active than rifampicin, isoniazid, ciprofloxacin and ethambutol by 7.8, 23, 77 and 124 times, respectively.     

Quantum chemical DFT study of 4-azatricyclo [5.2.2.02,6] undecane-3,5,8-trione

Fourier-transform-Raman and infrared spectrum of 4-azatricyclo [5.2.2.0^2,6] undecane-3,5,8-trione were recorded and analyzed. The vibrational wavenumbers were examined theoretically using the Gaussian03 set of quantum chemistry codes, and the normal modes were assigned by potential energy distribution (PED) calculations. The first hyperpolarizability, predicted infrared intensities and Raman activities are reported. The calculated first hyperpolarizability is comparable with reported values of similar structures which makes this compound an attractive object for future studies of nonlinear optics. Optimized geometrical parameters of the compound are in agreement with similar reported structures. The red shift of the NH stretching wavenumber in the infrared spectrum from the computational wavenumber indicates the weakening of NH bond.     

Enhancement of thermopower in the highT c superconductor YBa2Cu3O7 and related compounds

The absolute thermopower of single phase YBa₂Cu₃O₇ and Y_0.8Er_0.2Ba₂Cu₃O₇ has been measured in the range 250 K to the superconducting transition temperature. It is found that these compounds show a large enhancement of thermopower in the range 150 K down toT _c. This enhancement shows a steep exponential drop as the temperature increases from the transition temperature. The temperature variation of the enhancement is too steep to be accounted for by electron-phonon or electron-local structural excitation mechanisms.     

A Convenient Synthesis of Novel Pentacyclo [5.4. 0.02,6 .03,10 .05,9] Undecane-8,11-dione-4-spiro-1-cyclopropane

An efficient synthesis of the title compound by Diels-Alder cycloaddition of spiro(4.2) heptadiene with p-benzoquinone followed by photochemical ring closure is described.     

Heat transfer and pressure drop studies in a circular tube fitted with straight full twist

Experimental investigation of heat transfer characteristics of circular tube fitted with straight full twist insert has been presented. The heat transfer coefficient increases with Reynolds number and decreasing spacer distance with maximum being 2 in. spacer distance for both the type of twist inserts. Also, there is no appreciable increase in heat transfer enhancement in straight full twist insert with 2 in. spacer distance. Experiments were carried out in turbulent flow using straight full twist insert with 4 in. spacer and similar trend of increasing Nusselt number with Reynolds number was observed. Performance evaluation analysis was made and the maximum performance ratio was obtained for each twist insert corresponding to the Reynolds number of 2550.     

A new multi-objective genetic algorithm applied to hot-rolling process

A new genetic algorithms based multi-objective optimization algorithm (NMGA) has been developed during study. It works on a neighborhood concept in the functional space, utilizes the ideas on weak dominance and ranking and uses its own procedures for population sizing. The algorithm was successfully tested with some standard test functions, and when applied to a real-life data of the hot-rolling campaign of an integrated steel plant, it outperformed another recently developed multi-objective evolutionary algorithm.     

Differential incoherent scattering of 279.2 keV photons by Zr,Sn, Ta,Pb and U

Differential incoherent scattering cross-section ratios of 279.2 keV photons by zirconium, tin, tantalum, lead and uranium elements are experimentally determined by comparing the peak areas under the degraded photon energy with that of an equivalent aluminium foil employing a high resolution 35 c.c. coaxial Ge(Li) detector. Studies have been made in single configuration in an angular range of 20° to 115°. The results are compared with theoretical values obtained from the non-relativistichfs model of Hubbell and co-workers. The cross-section ratios decrease as the atomic number increases for a given scattering angle.     

Growth of carbon nanotubes from waste blast furnace gases at atmospheric pressure

Carbon emissions from industrial sources are of major global concern, especially contributions from the steel manufacturing process which accounts for the majority of emissions. Typical blast furnace gases consist of CO₂ (20‐25%), CO (20‐25%), H₂ (3‐5%) and N₂ (40‐50%) and trace amounts of other gases. It is demonstrated that gas mixtures with these compositions can be used at atmospheric pressure to grow carbon nanotubes (CNTs) by chemical vapor deposition (CVD) on to steel substrates, which act as catalysts for CNT growth. Computational modelling was used to investigate the CNT growth conditions inside the CVD chamber. The results show that industrial waste pollutant gases can be used to manufacture materials with significant commercial value, in this case CNTs.