Preparation and TSL studies in Tb activated LiMgPO4 phosphor

LiMgPO₄:Tb³⁺ phosphor was synthesized by solid state reaction. The thermally stimulated luminescence (TSL) glow curve of Tb doped LiMgPO₄ exhibits a main TSL peak at 170 °C with shoulders at 100 and 260 °C on either side of this peak. The TSL sensitivity of the phosphor was found to be about 2.5 times that of CaSO₄:Dy phosphor. TSL emission and photoluminescence (PL) studies show that Tb³⁺ ion acts as luminescence centre in this phosphor. The kinetic parameters, namely activation energy (E) and frequency factor (s) associated with the main glow peak have been determined using peak shape method. The activation energy and frequency factor obtained are 1.35 ± 0.03 eV and (6.53 ± 0.43) × 10¹⁴ s^?1 respectively. The paper discusses the dosimetric characteristics like dose response, fading, energy response and minimum detectable dose and results thereof.     

Investigation of a Dynamic Hybrid RANS/LES Modelling Methodology for Finite-Volume CFD Simulations

This paper investigates a recently proposed dynamic hybrid RANS-LES framework using a general-purpose finite-volume flow solver. The new method is highly generalized, allowing coupling of any selected RANS model with any selected LES model and containing no explicit grid dependence in its formulation. Selected results are presented for three test cases: two-dimensional channel flow, backward facing step, and a nozzle flow relevant to biomedical applications. Comparison with experimental and DNS data, and with other hybrid RANS-LES approaches, highlights the advantages of the new method and suggests that further investigation is warranted.     

Fluorescent Calixarene Scaffolds for NO Detection in Protic Media

We present the first fluorescent water‐soluble conjugated calixarene scaffolds that are capable of NO gas detection. Two different scaffolds, one based on a 5,5′‐bicalixarene structure and its isomer bearing two distantly conjugated calixarene moieties, were synthesized. While the fluorescence of both isomers is quenched upon either passing of NO gas or generating it in situ from diethylamine NONOate, the bicalixarene‐based scaffold showed a significantly stronger response. We also present an example of a dye encapsulation strategy to achieve the detection of NO at longer wavelengths than in the parent calixarene host. Finally, a conjugated polymer bearing a 5,5′‐bicalixarene scaffold has also been prepared and demonstrated enhanced sensitivity compared to the monomer due to the molecular wire effect.     

Design,synthesis, in silico and biological evaluation of novel 2-(4-(4-substituted piperazin-1-yl)benzylidene)hydrazine carboxamides

A series of novel 2-(4-(4-substituted piperazin-1-yl)benzylidene)hydrazinecarboxamide derivatives has been successfully designed and synthesized to evaluate their potential as carbonic anhydrase (CA) inhibitors. The inhibitory potential of synthesized compounds against human CAI and CAII was evaluated. Compounds 3a–n exhibited \(\hbox {IC}_{50}\) values between \(1.89{-}415.1\,\upmu \hbox {M}\) against CAI and \(0.62{-}66.9\,\upmu \hbox {M}\) against CAII. Compound 3g was the most active inhibitor, with an \(\hbox {IC}_{50}\) value of \(0.62\,\upmu \hbox {M}\) against CAII. Molecular docking studies of compound 3g with CAII showed this compound fits nicely in the active site of CAII and it interacts with the zinc ion (\(\hbox {Zn}^{2+}\)) along with three histidine residues in the active site. Molecular dynamics simulation studies of compound 3g complexed with CAII also showed essential interactions which were maintained up to 40 ns of simulation. In vivo sub-acute toxicity study using 3g (300 mg/kg) was found non-toxic in adult Wistar rats.     

Enantiomeric Resolution of (±)-Etodolac by Direct Approach Using Both Achiral Phases in Thin-Layer Chromatography: A Conceptual Approach

JPC – Journal of Planar Chromatography – Modern TLC - Direct enantioresolution of (±)-etodolac has been achieved by adopting a new conceptual approach involving both achiral phases...     

Dynamic coefficient evaluation for an algebraic subgrid stress model

Static model coefficients for an algebraic subgrid stress (SGS) model are determined using a dynamic approach, based on results from simulations of isotropic decaying turbulence. The study was motivated by the discrepancies in energy transfer predictions using the previously documented coefficients (Bhushan and Warsi, Int. J. Numer. Meth. Fluids 2005; 49 : 489–519). The discrepancies are identified to be due to inconsistent filter functions used in the analytic estimates and the simulations. The study emphasizes that SGS model development should use filter functions compatible with those inherent in CFD application solvers. The dynamic approach predicts consistent model and transfer coefficients for different grid resolutions and is judged to be a reliable basis for model coefficient adjustments. The predicted Leonard's stress coefficient and associated energy transfer coefficients agree very well with the analytic estimates using a Gaussian/cutoff combination filter. This suggests that the modeling of Leonard's stress term using a truncated Taylor series expansion is robust and may not benefit significantly from dynamic modeling. Validation simulations were performed for turbulent channel flow at Re_τ = 180 and 590. The dynamic approach was found to be reliable only for the lower log‐layer of the Re_τ = 590 case, where the scale invariance condition was satisfied. Nonetheless, in this narrow range, the model and transfer coefficients compare well with the isotropic case. The static coefficient algebraic model with new adjusted coefficients shows improved predictions compared with the previous coefficients, for both isotropic decaying turbulence and channel flow cases. Copyright © 2013 John Wiley & Sons, Ltd.     

Study of some metallic silicates as ion-exchangers

The extraction of ammine complexes of Cu²⁺, Cd²⁺, Ni²⁺, Co²⁺ and Zn²⁺ by synthesised manganese, nickel and zinc silicates has been studied at different pH and ionic concentrations in the external solution. It has been found that the uptake of the metal ion Co²⁺, Cu²⁺ and Zn²⁺ increases with increase in pH of the external solution, attains a maximum and then decreases. However, the uptake for Cd²⁺ and Ni²⁺ increases continuously. The q_A values of all the silicates increases with the increase in the concentration of the exchanging ion and its order for the investigated metal ions is Ni²⁺ < Co²⁺ < Cd²⁺ < Zn²⁺ < Cu²⁺.     

Bis-η5-cyclopentadienyl and Bis-η5-methylcyclopentadienylN,N-dialkyldithiocarbamato(chloro)titanium(IV) compounds

Summary Titanium(IV)N,N-dialkyldithiocarbamates of the type ⁵-Cp₂Ti (S₂CNR₂)Cl and (⁵-MeCp)₂Ti(S₂CNR₂)Cl (R = Me, Et and i-Pr) have been prepared by the reaction of di--cyclopentadienyldichlorotitanium(IV) and bis-n-methylcyclopentadienyldichlorotitanium(IV) with sodium salts of dithiocarbamic acids in refluxing dichloromethane. Molecular weight, conductance and i.r. studies show these complexes to be monomeric nonelectrolytes in which the dithiocarbamate ligands are bidentate. Therefore, pentacoordination may be assigned to titanium(IV) atom in all six complexes. Electronic and proton n.m.r. studies spectra have also been recorded for the complexes.