Perturbation of critical solution temperatures by impurity doping

An expression is developed for the variation of the critical solution temperature of a binary liquid system when a third component (dopant) is added, using an extension of the regular solution theory. The model can be used for UCST, LCST and for closed loop systems and has the correct features in the limiting cases.     

An enzymatic method for TLC detection and determination of fenitrothion in water

A simple enzymatic method is described for field TLC detection and determination of fenitrothion as fenitrooxon in water, with pig liver acetone powder as enzyme source. By this method, fenitrothion can be detected as fenitrooxon at ng levels and amounts ranging from 5 to 50 ng can be estimated.     

Designing Ultra-High-Birefringent Photonic Crystal Fibers with Circular Air Holes in the Cladding

Abstract

This article reports a new air-silica photonic crystal fiber structure of high birefringence (~10^?2). The birefringence is due to large axial anisotropy introduced in the fiber geometry by a preferred arrangement of circular air holes of different sizes in the cladding structure along orthogonal directions. A series study of birefringence and cut-off properties of the fiber that leads to optimization of geometrical parameters toward maximized birefringence achievable in the single-mode regime through this micro-structure is provided. Also, other inherently related modal properties of the fiber and the stack design toward preform realization are investigated. The findings should be useful in realizing high-performance high-birefringence fiber.     

Properties of fermion mixings in intersecting D-brane models

We consider the Yukawa couplings for quarks and leptons in the context of Pati–Salam model using intersecting D-brane models where the Yukawa coupling matrices are rank one in a simple choice of family replication. The CKM mixings can be explained by perturbing the rank 1 matrix using higher order terms involving new Higgs fields available in the model. We show that the near bi-large neutrino mixing angles can be naturally explained, choosing the light neutrino mass matrix to be type II seesaw dominant. The predicted value of U_e3$U_{e3}$ is in the range ?0.05–0.15$?0.05\text{–}0.15$. In the quark sector, V_cb$V_{cb}$ is naturally close to the strange/bottom quark mass ratio and we obtain an approximate relation V_ubV_cb?(ms/mb)²V_us$V_{ub}{V}_{cb}?{(m_s/m_b)}^2{V}_{us}$. The geometrical interpretations of the neutrino mixings are also discussed.     

RF properties of 700 MHz, <Emphasis Type="Italic">β</Emphasis> = 0.42 elliptical cavity for high current proton acceleration

BARC is developing a technology for the accelerator-driven subcritical system (ADSS) that will be mainly utilized for the transmutation of nuclear waste and enrichment of U²³³. Design and development of superconducting medium velocity cavity has been taken up as a part of the accelerator-driven subcritical system project. We have studied RF properties of 700 MHz, β = 0.42 single cell elliptical cavity for possible use in high current proton acceleration. The cavity shape optimization studies have been done using SUPERFISH code. A calculation has been done to find out the velocity range over which this cavity can accelerate protons efficiently and to select the number of cells/cavity. The cavity’s peak electric and magnetic fields, power dissipation P _c , quality factor Q and effective shunt impedance ZT ² were calculated for various cavity dimensions using these codes. Based on these analyses a list of design parameters for the inner cell of the cavity has been suggested for possible use in high current proton accelerator.      

Quantitation of glutathione by liquid chromatography/positive electrospray ionization tandem mass spectrometry

Glutathione (GSH) is a tripeptide composed of glutamate, cysteine, and glycine. It is present in practically all cells and has several important roles, such as preventing the oxidation of the sulfhydryl groups of proteins within a cell. Evidence for GSH deficiency or depletion has been found in a variety of diseases and toxicity-related studies, including diabetes and induction of oxidative stress to form reactive oxygen species which cause DNA, lipid, and protein oxidations. A simple, selective, and sensitive analytical method for measuring low levels of GSH in biological fluids would therefore be desirable to conduct GSH deficiency or depletion-related mechanistic toxicity studies. Here a method for both low- and high-level quantitation of GSH from cultured cells and rat liver tissues via liquid chromatography/positive electrospray ionization tandem mass spectrometry (LC/ESI-MS/MS) has been developed. The lower limit of quantitation (LOQ) of the method was 5 ng/mL. The method is linear over a wide dynamic concentration range of 5.0 to 5000.0 ng/mL, with a correlation coefficient R2 > 0.99. The intra-day assay precision relative standard deviation (RSD) values for all quality control (QC) samples were < or =16.31%, with accuracy values ranging from 94.13 to 97.80%. The inter-day assay precision RSD values for all QC samples were < or =15.94%, with accuracy values ranging from 94.51 to 100.29%. With this method, low levels of GSH from diethyl maleate (DEM)-treated mouse lymphoma cells, and GSH in rat liver tissues, were quantified.     

The Shapiro reaction of barrelene derivatives: the influence of annelation on acene formation

The possible formation of pentacene from a tosylhydrazone of 6,13-dihydro-6,13-ethenopentacene under the conditions of the Shapiro reaction is explored, as previous work demonstrated that the tosylhydrazone of barrelene (bicyclo[2.2.2]octatriene) yields benzene under these conditions [C. Weitemeyer, T. Preuss, and A. de Meijere, Chem. Ber., 1985, 118, 3993]. The computational analyses based on homodesmotic equations involving the anions, and monomeric (including the dimethyl ether solvate) and dimeric organolithium compounds reveals that benzene formation is exothermic, but pentacene formation is endothermic due to the increased stability of the lithium derivative and the decreased stability of pentacene. The computational predictions are confirmed by experimental investigations.     

Anion sensing by Phenazine-based urea/thiourea receptors

The novel colorimetric receptors 2,3-bis-N-(9,10-diaza-anthracen-1-yl)-N′-phenylurea and 2,3-bis-N-(9,10-diaza-anthracen-1-yl)-N′-phenylthiourea have been prepared by the reaction of 2,3-diaminophenazine with phenylisocyanate and phenylisothiocyanate, respectively, in quantitative yields. The interaction and colorimetric sensing properties of receptor = 2 and 3 with different anions were investigated by naked eye, UV-vis and fluorescence spectroscopy in DMSO. The receptors effectively and selectively recognized biologically important F⁻, CH₃COO⁻, H₂P in the presence of other anions, such as Cl⁻, Br⁻, I⁻ and HS in DMSO.     

A multi-orbital iterated perturbation theory for model Hamiltonians and real material-specific calculations of correlated systems

The dynamical mean field theory (DMFT) has emerged as one of the most importantframeworks for theoretical investigations of strongly correlated lattice models and realmaterial systems. Within DMFT, a lattice model can be mapped onto the problem of amagnetic impurity embedded in a self-consistently determined bath. The solution of thisimpurity problem is the most challenging step in this framework. The available numericallyexact methods such as quantum Monte Carlo, numerical renormalization group or exactdiagonalization are naturally unbiased and accurate, but are computationally expensive.Thus, approximate methods, based e.g. on diagrammatic perturbation theory have gainedsubstantial importance. Although such methods are not always reliable in various parameterregimes such as in the proximity of phase transitions or for strong coupling, theadvantages they offer, in terms of being computationally inexpensive, with real frequencyoutput at zero and finite temperatures, compensate for their deficiencies and offer aquick, qualitative analysis of the system behavior. In this work, we have developed such amethod, that can be classified as a multi-orbital iterated perturbation theory (MO-IPT) tostudy N-folddegenerate and non degenerate Anderson impurity models. As applications of the solver, wehave embedded the MO-IPT within DMFT and explored lattice models like the single orbitalHubbard model, covalent band insulator and the multi-orbital Hubbard model fordensity-density type interactions in different parameter regimes. The Hund’s couplingeffects in case of multiple orbitals is also studied. The limitations and quality ofresults are gauged through extensive comparison with data from the numerically exactcontinuous time quantum Monte Carlo method (CTQMC). In the case of the single orbitalHubbard model, covalent band insulators and non degenerate multi-orbital Hubbard models,we obtained an excellent agreement between the Matsubara self-energies of MO-IPT andCTQMC. But for the degenerate multi-orbital Hubbard model, we observe that the agreementwith CTQMC results gets better as we move away from particle-hole symmetry. We have alsointegrated MO-IPT+DMFT with density functional theory based electronic structure methodsto study real material systems. As a test case, we have studied the classic, stronglycorrelated electronic material, SrVO₃. A comparison of density of states and photo emissionspectrum (PES) with results obtained from different impurity solvers and experimentsyields good agreement.     

Polarized Neutron Diffraction to Probe Local Magnetic Anisotropy of a Low‐Spin Fe(III) Complex

We have determined by polarized neutron diffraction (PND) the low‐temperature molecular magnetic susceptibility tensor of the anisotropic low‐spin complex PPh₄[Fe^III(Tp)(CN)₃]?H₂O. We found the existence of a pronounced molecular easy magnetization axis, almost parallel to the C₃ pseudo‐axis of the molecule, which also corresponds to a trigonal elongation direction of the octahedral coordination sphere of the Fe^III ion. The PND results are coherent with electron paramagnetic resonance (EPR) spectroscopy, magnetometry, and ab initio investigations. Through this particular example, we demonstrate the capabilities of PND to provide a unique, direct, and straightforward picture of the magnetic anisotropy and susceptibility tensors, offering a clear‐cut way to establish magneto‐structural correlations in paramagnetic molecular complexes.