Atomic properties for Ne,Ar, Kr from an optimised potential model for atoms

A variationally optimised effective atomic central potential has been used to calculate atomic form factors, 〈r²〉, ionization potentials, and dipole polarizabilities for Ne, Ar and Kr. The predictions agree very closely with Hartree-Fock results.     

LES/PDF Modeling of Turbulent Premixed Flames with Locally Enhanced Mixing by Reaction

Large-eddy simulations (LES) combined with the transported probability density function (PDF) method are carried out for two turbulent piloted premixed methane-air jet flames (flame F1 and flame F3) to assess the capability of LES/PDF for turbulent premixed combustion. The conventionally used model for the sub-filter scale mixing time-scale (or the mixing frequency) fails to capture the premixed flames correctly. This failure is expected to be caused by the lack of the sub-filter scale premixed flame propagation property in the sub-filter scale mixing process when the local flame front is under-resolved. It leads to slower turbulent premixed flame propagation and wider flame front. A new model for specifying the sub-filter scale mixing frequency is developed to account for the effect of sub-filter scale chemical reaction on mixing, based on past development of models for the sub-filter scale scalar dissipation rate in premixed combustion. The new model is assessed in the two turbulent premixed jet flames F1 and F3. Parametric studies are performed to examine the new model and its sensitivity when combined with the different mixing models. Significantly improved performance of the new mixing frequency model is observed to capture the premixed flame propagation reasonably, when compared with the conventional model. The sensitivity of the flame predictions is found be relatively weak to the different mixing models in conjunction with the new mixing frequency model.     

Fluorescence studies of some protonated cinchona alkaloids in polymers

In the present paper we report spectral and photophysical properties of two probes viz. cinchonidine and quinidine in two different polymers viz. polyvinyl alcohol (PVA) and polymethylmethacrylate (PMMA). The emission spectra exhibit edge excitation red shift (EERS) for both the probes and multiexponential decays are observed. Presence of various conformers and geometries is suggested to explain the observed results. The photophysical properties and excited state behavior of Cd++ are more sensitive towards the microenvironment of the polymer.     

Simultaneous quantification of diterpenoids in Premna integrifolia using a validated HPTLC method

A sensitive, selective and robust densitometric high‐performance thin layer chromatographic method was developed and validated for the determination of diterpenoids in the root bark of Premna integrifolia. Diterpenoids 1β,3α,8β‐trihydroxy‐pimara‐15‐ene ( A ), 6α,11,12,16‐tetrahydroxy‐7‐oxo‐abieta‐8,11,13‐triene ( B ) and 2α,19‐dihydroxy‐pimara‐7,15‐diene ( C ) were used as chemical markers for the standardization of P. integrifolia plant extracts. The separation was performed on silica gel 60F₂₅₄ high‐performance thin layer chromatography plates using hexane/acetone/ethylacetate (60:20:20 v/v) as mobile phase. The quantitation of diterpenoids was carried out using densitometric reflection/absorption mode at 475 nm after post‐chromatographic derivatization using vanillin–sulfuric acid reagent. A precise and accurate quantification can be performed for compounds A , B and C in the linear working concentration range of 1–10 μg/spot with good correlations (r²=0.9985, 0.9996 and 0.9992, respectively). The method was validated for peak purity, precision, robustness, limit of detection (LOD) and quantitation (LOQ) etc., as per the International Conference on Harmonization (ICH) guidelines. Specificity of quantitation was confirmed using retention factor (R_f) and spectra correlation of markers in standard and sample tracks. The method reported here is simple and reproducible which may be applied for quantitative analysis of above diterpenoids in the root bark of P. integrifolia.     

Synthesis, antiamoebic activity and thermal study of copper complexes of 1-formyl-2-pyrazolines

Copper complexes of 1-formyl-2-pyrazolines were prepared by the reaction of 1-formyl-2-pyrazolines with copper chloride and nitrate with methanol. The structures of copper complexes 1a–3a have been established by elemental analysis, FT-IR, UV and thermogravimetric analysis. These compounds were tested against HM1:IMSS strain of Entamoeba histolytica by the microdilution method. Complexes 2a and 3a are more active than other complexes.     

Deacylation studies on furanose triesters using an immobilized lipase: synthesis of a key precursor for bicyclonucleosides

Lipozyme TL IM immobilized on silica catalyses the deacylation of 4-C-acyloxymethyl-3,5-di-O-acyl-1,2-O-(1-methylethylidene)-beta-L-threo-pentofuranose to form 3,5-di-O-acyl-4-C-hydroxymethyl-1,2-O-(1-methylethylidene)-alpha-d-xylo-pentofuranose in a highly selective and efficient manner.     

Investigation of hydrodynamic behaviour of a pilot-scale trickle bed reactor packed with hydrophobic and hydrophilic packings using radiotracer technique

A radiotracer study was carried out in a trickle bed reactor (TBR) independently filled with two different types of packing i.e., hydrophobic and hydrophilic. The study was aimed at to estimate liquid holdup and investigate the dispersion characteristics of liquid phase with both types of packing at different operating conditions. Water and H₂ gas were used as aqueous and gas phase, respectively. The liquid and gas flow rates used ranged from 0.83?×?10^?7?C16.67?×?10^?7?m³/s and 0?C3.33?×?10^?4?m³ (std)/s, respectively. Residence time distribution (RTD) of liquid phase was measured using ⁸²Br as radiotracer and about 10?MBq activity was used in each run. Mean residence time (MRT) and holdup of liquid phase were estimated from the measured RTD data. An axial dispersion with exchange model was used to simulate the measured RTD curves and model parameters (Peclet number and MRT) were obtained. At higher liquid flow rates, the TBR behaves as a plug flow reactor, whereas at lower liquid flow rates, the flow was found to be highly dispersed. The results of investigation indicated that the dispersion of liquid phase is higher in case of hydrophobic packing, whereas holdup is higher in case of hydrophilic packing.     

Optimising R and D expenditure in the development of resource substitutes1

This paper derives analytical and numerical solutions to a model of the optimal allocation of national economic resources between consumption, investment, and research and development. The research and development activity is a stochastic process which may produce a substitute for an exhaustible but currently essential natural resource. We investigate how the optimal policy varies with the parameters of the economy, and with the specification of the stochastic R and D process.