Structural,Computational and 3D Interaction Energy Calculations of the Compound 2-chloro-3-(1-napthyl)-5,5-dimethyl-2-cyclohexenone

Crystallography Reports - The molecular structure of 2-chloro-3-(1'-napthyl)-5,5-dimethyl-2- cyclohexenone was determined by single crystal X-ray diffraction. The compound crystallized in a...     

Numerical investigation on the effect of magnetic field on natural convection heat transfer from a pair of embedded cylinders within a porous enclosure

The present work examines the influence of magnetohydrodynamic field on natural convection phenomena inside a porous square enclosure with a pair of embedded hot circular cylinders. Numerical investigations are performed to understand the effects of interspacing distance between the embedded cylinders, Hartmann number, Rayleigh number and Darcy number on the thermal transport process and the total irreversibility generation. It is observed that the isotherm distribution is strongly affected by the presence of magnetic field although the distribution of streamlines remains independent of the strength of magnetic field. This underlines the fact that magnetic field strongly influences the heat transfer process and entropy generation characteristics. It reveals that the natural convection is suppressed in the presence of a higher magnetic field as evident from the reduction in Nusselt number. It is observed that an increase in the spacing between the cylinders increases the heat transfer rate, and moreover, the effect of the magnetic field on heat transfer is more pronounced at higher interspacing distance between the embedded cylinders. The heat transfer rate increases significantly with the increase in the permeability of the medium. The entropy generation rate is independent of the strength of applied magnetic field. Further, the contribution of the entropy generation owing to friction is found to be negligible in total irreversibility obtained at lower values of Rayleigh number irrespective of Darcy number. However, the contribution of irreversibility owing to heat transfer is found to be minimal at higher values of Rayleigh number.

     

A mild and efficient copper-catalyzed N-arylation of unprotected sulfonimidamides using boronic acids

An efficient and low cost copper catalyzed system for N-arylation of sulfonimidamides has been developed. The reaction proceeds at room temperature under base free conditions. Various N-aryl, N-heteroaryl, and N-cyclopropyl sulfonimidamides were obtained in good to excellent yields.     

A disaster queue with Markovian arrivals and impatient customers

We consider a single server queueing system in which arrivals occur according to a Markovian arrival process. The system is subject to disastrous failures at which times all customers in the system are lost. Arrivals occurring during the time the system undergoes repair are stored in a buffer of finite capacity. These customers can become impatient after waiting a random amount of time and leave the system. However, these customers do not become impatient once the system becomes operable. When the system is operable, there is no limit on the number of customers who can be admitted. The structure of this queueing model is of GI/M/1-type that has been extensively studied by Neuts and others. The model is analyzed in steady state by exploiting the special nature of this type queueing model. A number of useful performance measures along with some illustrative examples are reported.     

Equipment scheduling problem under disruptions in mail processing and distribution centres

This paper addresses the production and workforce scheduling problem under disruptions in United States Postal Service mail processing facilities. These facilities contain a large variety of equipment and employ a non-homogeneous workforce that work on shifts of various lengths and start times. Disruptions such as demand fluctuation and absenteeism happen and may significantly change demand and the size of workforce. How to adjust production plans and workforce schedules through the use of overtime and flexible employees in the face of these disruptions to meet the service commitment is a challenging problem yet to be solved. This problem is modelled as a large-scale integer program, which contains equipment scheduling, shift scheduling and overtime management, and break assignment modules. Problems of realistic size are solved efficiently through an LP-based decomposition algorithm. Comprehensive experiments have been designed to investigate the effects of the use of overtime, the control of absenteeism, and the importance of integrating equipment and workforce scheduling simultaneously. The model integrates seamlessly with other research studies and provides the necessary and critical tools to manage the resources in a facility on a routine basis.     

Ultrafast momentum-dependent response of electrons in antiferromagnetic EuFe2As2 driven by optical excitation

Employing the momentum sensitivity of time- and angle-resolved photoemission spectroscopy we demonstrate the analysis of ultrafast single- and many-particle dynamics in antiferromagnetic EuFe(2)As(2). Their separation is based on a temperature-dependent difference of photoexcited hole and electron relaxation times probing the single-particle band and the spin density wave gap, respectively. Reformation of the magnetic order occurs at 800 fs, which is 4 times slower compared to electron-phonon equilibration due to a smaller spin-dependent relaxation phase space.     

Privacy and pricing personal information

The issues we address here are – How should a firm (e.g. Internet service provider (ISP)) that is capable of collecting personal information (browsing information, purchase history, etc.) about consumers, price its service, given that consumers vary in their valuation for privacy, and also vary in terms of the value of their personal information to a third party (firms that need consumer information)? Should the firm have a blanket policy of never collecting, or a policy of always collecting and revealing information? Surprisingly we find that in some cases the collector of information may be no worse off in the asymmetric information case than in the full information case. The paper provides a justification for the strategy of some firms such as ISP’s which never collect information and also for the strategy of other firms, like grocery stores that do. We also find that it is non-optimal for the firm to design contracts where the consumer can choose an intermediate level of privacy.     

Subgrid Modeling of Turbulent Premixed Flames in the Flamelet Regime

Large eddy simulation (LES) models for flamelet combustion are analyzed by simulating premixed flames in turbulent stagnation zones. ALES approach based on subgrid implementation of the linear eddy model(LEM) is compared with a more conventional approach based on the estimation of the turbulent burning rate. The effects of subgrid turbulence are modeled within the subgrid domain in the LEM-LES approach and the advection (transport between LES cells) of scalars is modeled using a volume-of-fluid (VOF) Lagrangian front tracking scheme. The ability of the VOF scheme to track the flame as a thin front on the LES grid is demonstrated. The combined LEM-LES methodology is shown to be well suited for modeling premixed flamelet combustion. The geometric characteristics of the flame surfaces, their effects on resolved fluid motion and flame-turbulence interactions are well predicted by the LEM-LES approach. It is established here that local laminar propagation of the flamelets needs to be resolved in addition to the accurate estimation of the turbulent reaction rate. Some key differences between LEM-LES and the conventional approach(es) are also discussed. This revised version was published online in July 2006 with corrections to the Cover Date.     

Analyses of carcinogenic aromatic amines released from harmful azo colorants by Streptomyces SP. SS07

Extracellular fluid protein (ECFP) of Streptomyces species SS07 has been used to reduce water soluble azo dyes and the carcinogenic amines released have been compared with that from chemical reduction. The effect of temperature, pH and contact time on the recovery of amines using ECFP was studied. The ECFP releases carcinogenic amines at a pH of 9.2 and a temperature of 37 degrees C for a contact period of 24 h. The reduction products were analyzed with HPLC and their structures confirmed by LC-MS and GC-MS. It was observed that both the ECFP and chemical reduction methods released similar type of amine products. In the case of dye samples, compared to chemical reduction, 5-20% increase in the release of carcinogenic amines by ECFP was observed. The percentage of amine products released by chemical reduction was higher for leather garment samples compared to ECFP treatment.     

Mass spectrometric methods for the analysis of chlorinated and nitrated isoflavonoids: a novel class of biological metabolites

Electrospray ionization combined with tandem mass spectrometry was applied to a study of some representative chlorinated and nitrated isoflavones-potential metabolites of isoflavones in inflammatory cells. Upon collision-induced dissociation of deprotonated [M - H](-) ions of these compounds, a number of structurally characteristic product ions were produced. The product ion analysis of 3'- and 8-chlorodaidzein in the tandom mass spectra led to ready differentiation of these isomers. 3-Nitro derivatives of both genistein and daidzein have product ions due to the losses of HNO(2) and two OH groups. Chlorinated derivatives of isoflavones were detected in cell-based experiments and their structures were proposed by comparing the tandem mass spectra of their product ions with those of standards. This work provides a suitable analytical basis to aid the characterization of chlorinated and nitrated metabolites in studies in vivo and in vitro.