Molecular constants of substituted ethylene-type molecules: IV. Inertia defects and rotational constants of vinyl halides and their deuterated derivatives

The inertia defects of some vinyl halides and their deuterated derivatives have been calculated on the basis of the general formulation developed by Oka and Morino. The initial sets of Urey-Bradley force constants, based on published data, were adjusted by a least squares procedure until they reproduced the fundamental vibrational frequencies satisfactorily. The Coriolis coupling constants which satisfy the sum rules derived were evaluated and used to calculate the inertia defect in the ground vibrational state. The theoretical values of the inertia defect are used to determine the rotational constant A which cannot otherwise be accurately determined from an “a” type transition.     

Closure modeling in bridging regions of variable-resolution (VR) turbulence computations

Optimal utilization of computational resources mandates spatio-temporal variation in resolution for computing complex engineering flows. Closure modeling in regions bridging between different resolutions is rendered difficult due to changing interactions between resolved and unresolved fields. We develop a closure model for the bridging region based on energy conservation principles. Then we proceed to provide a proof of concept in decaying isotropic turbulence with temporally varying resolution. The simplicity of the flow permits a thorough examination of various aspects of the proposed closure not feasible in more complex flows. The results demonstrate the potential promise of the approach, but more validation studies need to be performed.While the present development is in the context of partially averaged Navier–Stokes (PANS) method, the closure principle should apply for other variable-resolution (VR) approaches.     

Determination of the Heat Transfer Coefficient of Metal Oxide Based Water Nanofluids in a Laminar Flow Regime Using an Adaptive Neuro-Fuzzy Inference System

In order to enhance the thermal properties of turbine oil (TO), three different nanoparticles (CuO, Al₂O₃, and TiO₂) are loaded into the TO. To measure the thermal performance of nanoparticle-based TO nanofluids at laminar flow and under constant heat flux boundary conditions, an experimental setup was applied. The obtained data clearly demonstrate the positive effect of all nanoparticles on the heat transfer rate of TO. As the most important factor, the heat transfer coefficient of the abovementioned two-phase systems is increased upon increasing both the volume concentration and the flow rate. An adaptive neuro-fuzzy inference system (ANFIS) is applied for modeling the effect of critical parameters on the heat transfer coefficient of nanoparticle-TO based nanofluids numerically. The results are compared with experimental ones for training and test data. The results suggest that the developed model is valid enough and promising for predicting the extant of the heat transfer coefficient. R² and MSE values for all data were 0.990208751 and 108.1150734, respectively. Based on the results, it is obvious that our proposed modeling by ANFIS is efficient and valid, which can be expanded for more general states.     

Bio-detoxification of Phorbol Esters and Other Anti-nutrients of Jatropha curcas Seed Cake by Fungal Cultures Using Solid-State Fermentation

Jatropha seed cake, a byproduct after biodiesel extraction, has several anti-nutrients and toxins. Solid-state fermentation was carried out for the detoxification of the Jatropha seed cake (JSC) using different fungal cultures. The reduction in the anti-nutritional components such as tannins, phytates, saponins, lectin and protease inhibitor, and phorbol esters on 6th, 9th, and 12th day of fermentation was analyzed. The phorbol ester content in the unfermented JSC was 0.83 mg/g, and the maximum degradation of phorbol esters to the extent of 75 % was observed in the case of JSC fermented with Cunninghamella echinulata CJS-90. The phytate degradation in the fermented JSC was in the range of 65–96 %. There was a gradual reduction of saponin content in the JSC from 6th to 12th day, and the reduction of saponin was in the range of 55–99 % after solid-state fermentation. The trypsin inhibitor activity and lectin were 1,680 trypsin inhibitor units (TIU) per gram and 0.32 hemagglutinating unit in the unfermented JSC, respectively. Trypsin inhibitor activity and lectin could not be detected in JSC after 12th day of solid-state fermentation. Tannins accounted for 0.53 % in unfermented JSC, and there was a marginal increase of tannins after solid-state fermentation. The results indicate that biological detoxification could be a promising method to reduce anti-nutritional compounds and toxins in the JSC.     

On a continued fraction of order six

In this paper, we derive certain identities for the following continued of order six:     

Transition Metal Free Chemoselective Reduction of α,β‐Unsaturated Ketones to Saturated Ketones Using Tosyl Hydrazide as a Hydrogen Donor

An efficient, inexpensive and simple method for the reduction of various α,β‐unsaturated ketones to corresponding saturated ketones using tosyl hydrazide as a hydrogen donor in DMF using calcium oxide powder has been reported. A variety of enones underwent reduction without forming undesirable side products. High chemoselectivity, broad functional group tolerance and good yields are the noteworthy features of this protocol.     

Polarization of line radiation in the presence of external electric quadrupole and uniform magnetic fields: II. Arbitrary orientation of magnetic field

In continuation of our earlier investigation (referred to hereafter as part I) where we considered the mathematically simple case of magnetic field orientation along the Z-axis of the principal axes frame (PAF) of the electric quadrupole field, we take up here the general problem of arbitrary orientation of the magnetic field with respect to the PAF, and investigate the nature of polarized line spectra of an atom making a transition from an upper level with spin J_u to a lower level with spin J_l. Explicit formulae for the emitted Stokes parameters are obtained and we discuss their physical significance by computing numerically the cases of transitions J_u=1→J_l=0 and . Specific features or signatures of the polarized line spectra are discussed as functions of the relevant physical parameters. The Stokes parameters are also analyzed in terms of the Zeeman term contributions and the cross-term contributions (which arise due to quantum interference).     

Sn(iv) phosphonates as catalysts in solvent-free Baeyer-Villiger oxidations using H(2)O(2)

We have designed a new family of layered Sn(iv)phosphonate (SnPP) materials which are very efficient catalysts in the BV oxidation of aromatic aldehydes without any solvent and using aqueous H(2)O(2) (30%) as the oxidant.