Synthesis and stereochemistry of 2-arylperhydrocyclopenta[b]pyridin-1-ols, 8-azaestrone fragments

Different stereoisomers of 2-arylperhydrocyclopenta[b]pyridin-1-ols, which form structural motifs of 8-azaestrone, were prepared via reductive cyclization from mono-oximes derived from 1,5-diketones, by using sodium borohydride and acetic acid in THF at reflux.     

Parameters optimization of selected casting processes using teaching–learning-based optimization algorithm

In the present work, mathematical models of three important casting processes are considered namely squeeze casting, continuous casting and die casting for the parameters optimization of respective processes. A recently developed advanced optimization algorithm named as teaching–learning-based optimization (TLBO) is used for the parameters optimization of these casting processes. Each process is described with a suitable example which involves respective process parameters. The mathematical model related to the squeeze casting is a multi-objective problem whereas the model related to the continuous casting is multi-objective multi-constrained problem and the problem related to the die casting is a single objective problem. The mathematical models which are considered in the present work were previously attempted by genetic algorithm and simulated annealing algorithms. However, attempt is made in the present work to minimize the computational efforts using the TLBO algorithm. Considerable improvements in results are obtained in all the cases and it is believed that a global optimum solution is achieved in the case of die casting process.     

Structural, electrical and optical properties of ZnS films deposited by close-spaced evaporation

ZnS films have been deposited on glass substrates by close-spaced evaporation (CSE) technique. The films were grown at different temperatures in the range, 200-350 °C. The layers have been characterized with X-ray diffractometer (XRD), atomic force microscope (AFM), energy dispersive analysis of X-rays (EDAX) and optical spectrophotometer to evaluate the quality of the layers for photovoltaic applications. The studies showed that the optimum substrate temperature for the growth of ZnS layers was 300 °C. The films grown at these temperatures exhibited cubic structure with nearly stoichiometric composition. The AFM data revealed that the films had nano-sized grains with a grain size of ∼40 nm. The optical studies exhibited direct allowed transition with an energy band gap of 3.61 eV. The other structural and optical parameters such as lattice stress, dislocation density, refractive index and extinction coefficient were also evaluated. The temperature-dependent conductivity measured in the range, 303-523 K showed a change in the conduction mechanism at 120 °C. The activation energy values evaluated using the temperature dependence of electrical conductivity are 7 and 29 meV at low and high temperature regions, respectively.     

Nucleophilic (phenylsulfinyl)difluoromethylation of carbonyl compounds with difluoromethyl phenyl sulfoxide

We have successfully achieved nucleophilic (phenylsulfinyl)difluoromethylation of both enolizable and non-enolizable aldehydes and ketones by using difluoromethyl phenyl sulfone (1) as the fluoroalkylating agent. Although the chemical yields of the reactions are good to excellent, the observed diastereoselectivity is poor (dr = 1:1.04-2.03). The present synthetic methodology provides a convenient alternative for the preparation of α-(phenylsulfinyl)difluoromethylated carbinols that were previously synthesized via a two-step procedure.     

Nickel-catalyzed cross-coupling of unactivated alkyl halides and tosylate carrying a functional group with alkyl and phenyl Grignard reagents

By the use of catalytic amounts of a nickel salt and a 1,3-butadiene, primary and secondary alkyl Grignard reagents undergo cross-coupling with alkyl bromides, iodide, and tosylate carrying a functional group such as amide, ester, and ketone at 0 °C in THF. The present procedure provides a simple, convenient, and practical method for construction of carbon chains in the presence of various functional groups. PhMgBr also gave the corresponding coupling product in a moderate yield.     

A method for reconstruction of residual stress fields from measurements made in an incompatible region

A method is introduced by which the complete state of residual stress in an elastic body may be inferred from a limited set of experimental measurements. Two techniques for carrying out this reconstruction using finite element analysis are compared and it is shown that for exact reconstruction of the stress field via this method, the stress field must be measured over all eigenstrain-containing regions of the object. The effects of error and incompleteness in the measured part of the stress field on the subsequent analysis are investigated in a series of numerical experiments using synthetic measurement data based on the NeT TG1 round-robin weld specimen. It is hence shown that accurate residual stress field reconstruction is possible using measurement data of a quality achievable using current experimental techniques.     

Line-bundle-valued ternary quadratic forms over schemes

We study degenerations of rank 3 quadratic forms and of rank 4 Azumaya algebras, and extend what is known for good forms and Azumaya algebras. By considering line-bundle-valued forms, we extend the theorem of Max-Albert Knus that the Witt-invariant—the even Clifford algebra of a form—suffices for classification. An algebra Zariski-locally the even Clifford algebra of a ternary form is so globally up to twisting by square roots of line bundles. The general, usual and special orthogonal groups of a form are determined in terms of automorphism groups of its Witt-invariant. Martin Kneser’s characteristic-free notion of semiregular form is used.