Vertical distribution and radiological risk assessment of natural radionuclides in the alluvial soil profile of south-west Punjab,India

Journal of Radioanalytical and Nuclear Chemistry - Natural radionuclide levels are studied in alluvial sediments upto the depth of 900 cm. Eighteen profiles are selected from agricultural...     

Influence of Cross-Sectional Uncertainty on Sensitivity Studies of DUNE and T2HK Experiments

International Journal of Theoretical Physics - We successfully realized symmetric and asymmetric cyclic quantum teleportation by using different controllers for each receiver. In this study, Alice...     

Synthesis and antibacterial activity of some 5-hydroxy-5-trifluoromethyl-4,5-dihydropyrazol-1-thiocarboxamides, 3-trifluoromethylpyrazol-1-thiocarboxamides and 4-aryl-2-(5(3)-trifluoromethyl-1-pyrazolyl)thiazoles

5-Hydroxy-5-trifluoromethyl-4,5-dihydropyrazol-1-thiocarboxamides 3 and 3-trifluoromethylpyrazol-1-thiocarboxamides 4, regioselectively obtained by the condensation of trifluoromethyl-β-diketones with thiosemicarbazide under neutral and acidic conditions, on further reaction with phenacyl bromides 5 afforded 4-aryl-(5-trifluoromethyl-pyrazol-1-yl)thiazoles 6 and 4-aryl-(3-trifluoromethyl-pyrazol-1-yl)thiazoles 7, respectively. Five 4,5-dihydropyrazoles (3a–e) and two pyrazolylthiazoles (6a and 6c) were tested against one Gram-positive and one Gram-negative bacteria to assess their in vitro antibacterial activity. Compounds 3a, 3b and 3e showed moderate antibacterial activity against Gram-positive bacterium, Bacillus pumilus.     

Chelating and bridging diphosphinoamine (PPh2)2N(iPr) complexes of copper(I)

The ligand bis(diphenylphosphino)isopropylamine (dppipa) has been shown to be a versatile ligand sporting different coordination modes and geometries dictated by copper(I). Most of the molecular structures were confirmed by X-ray crystallography. It is found in a chelating mode, in a monomeric complex when the ligand to copper ratio is 2:1. A tetrameric complex is formed when low ratios of ligand to metal (1:2) were used. But with increasing ratios of ligand to metal (1:1 and 2:1), a trimer or a dimer was obtained depending on the crystallization conditions. Variable temperature ³¹P{¹H} NMR spectra of these complexes in solution showed that the Cu–P bond was labile and the highly strained 4-membered structure chelate found in the solid state readily converted to a bridged structures. On the other hand, complexes with the ligand in a bridging mode in the solid state did not form chelated structures in solution. The effect of adding tetra-alkylammonium salts to solutions of various complexes of dppipa were probed by ³¹P{¹H} NMR and revealed the effect of counter ions on the stability of complexes in solution.     

Complexation Studies of Pyridyl Sulfonamide Ligands for Sensing Zinc and Copper Ions

Ligand protonation and stepwise dissociation constants, formation constants and speciation of four pyridyl sulfonamide ligands (Congreeve et al., New J. Chem. 27:98–106, 2003) were assessed, using potentiometric and UV/Visible spectrophotometric pH titrations (in 80% MeOH − 20% H₂O). The suitability of these ligands as Cu(II) and Zn(II) sensors for physiological applications was assessed. Two ligands L¹ and L⁴ were p-toluenesulfonamide derivatives while L² and L³ were triflurosulfonamide derivatives. Additionally L³ and L⁴ were appended with α-methyl groups. The most stable complex was formed by L¹ with Cu(II) owing to the fact that this complex was square planar (log ₁₀  K ₁=12.15±0.004 and log ₁₀  β ₂=15.42±0.006). The rest of the complexes invariably formed distorted tetrahedron geometry and complexation was weaker. Speciation diagrams show the effect of ligand to metal concentration, revealing that the L² and L³ ligands are the most suitable for forming ML₂ complexes at physiological pH.     

A mathematical fractional model with nonsingular kernel for thrombin receptor activation in calcium signalling

In calcium signalling, activation of receptor is a very significant aspect. To understand the mechanism of calcium signalling, receptors are the important components. The mobilization of intracellular calcium from intracellular stores depends upon binding of agonist to cell surface receptor. Thrombin is chosen as model ligand. In order to understand thrombin receptor activation, we analyze fractional model incorporating derivative of arbitrary order and nonsingular kernel which can precisely describe the effect of memory and can explain the model in better and more efficient manner as compared with fractional operators with singular kernels. The problem has been solved by perturbation iterative method. Using fixed‐point theorem, it is proved that solution of the system will exist and also it will be unique.     

Synthesis,characterization and role of zero-valent iron nanoparticle in removal of hexavalent chromium from chromium-spiked soil

Chromium is an important industrial metal used in various products/processes. Remediation of Cr contaminated sites present both technological and economic challenges, as conventional methods are often too expensive and difficult to operate. In the present investigation, Zero-valent iron (Fe⁰) nanoparticles were synthesized, characterized, and were tested for removal of Cr(VI) from the soil spiked with Cr(VI). Fe⁰ nanoparticles were synthesized by the reduction of ferric chloride with sodium borohydride and were characterized by UV–Vis (Ultra violet–Visible) and FTIR (Fourier transform infrared) spectroscopy. The UV–Vis spectrum of Fe⁰ nanoparticles suspended in 0.8% Carboxymethyl cellulose showed its absorption maxima at 235 nm. The presence of one band at 3,421 cm⁻¹ ascribed to OH stretching vibration and the second at 1,641 cm⁻¹ to OH bending vibration of surface-adsorbed water indicates the formation of ferrioxyhydroxide (FeOOH) layer on Fe⁰ nanoparticles. The mean crystalline dimension of Fe⁰ nanoparticles calculated by XRD (X-ray diffraction) using Scherer equation was 15.9 nm. Average size of Fe⁰ nanoparticles calculated from TEM (Transmission electron microscopy) images was found around 26 nm. Dynamic Light Scattering (DLS) also showed approximately the same size. Batch experiments were performed using various concentration of Fe⁰ nanoparticles for reduction of soil spiked with 100 mg kg⁻¹ Cr(VI). The reduction potential of Fe⁰ nanoparticles at a concentration of 0.27 g L⁻¹ was found to be 100% in 3 h. Reaction kinetics revealed a pseudo-first order kinetics. Factors like pH, contact time, stabilizer, and humic acid facilitates the reduction of Cr(VI).     

Synthesis and antimicrobial activities of sulfonohydrazide‐substituted 8‐hydroxyquinoline derivative and its oxinates

Looking at the pharmacological importance of 8‐hydroxyquinolines and sulfonamides, in the present study, a novel bi‐dentate ligand 4‐amino‐N′‐[(8‐hydroxyquinoline‐5‐yl)methyl] benzenesulfonohydrazide (AHQMBSH) having above both moieties within a single molecular framework was synthesized by the reaction of N‐acetamidobenzene sulfonohydrazide with 5‐chloromethyl‐8‐hydroxyquinoline hydrochloride. Its metal(II) oxinates were also prepared with Mn(II), Fe(II), Co(II), Ni(II), Cu(II) and Zn(II) salts. All the above compounds were investigated by physicochemical analyses, thermogravimetric analysis and spectroscopic techniques. Antimicrobial activities for the above prepared compounds were carried out using the agar‐plate method against various strains of bacteria (Staphylococcus aureus, Bacillus subtillis, Pseudomonas aerugionsa, Escherichia coli) and fungi (Aspergillus niger and Aspergillus flavous). The results show a significant increase in antimicrobial and antifungal activities of AHQMBSH compared with the parent 8‐hydroxyquinoline and sulfonamides. Copyright © 2010 John Wiley & Sons, Ltd.     

Dynamic and Equilibrium Studies on Adsorption of Cu(II) Ions onto Biopolymeric Cross-Linked Pectin and Alginate Beads

Binary biopolymeric beads of alginate and pectin were prepared and characterized by FTIR spectra. On to the surfaces of the prepared beads were performed static and dynamic adsorption studies of Cu(II) ions at fixed pH and ionic strength of the aqueous metal ion solutions. The adsorption data were applied to Langmuir and Freundlich isotherm equations and various adsorption parameters were calculated. The influence of various experimental parameters such as effect of time, pH, temperature, solid to liquid ratio, and the presence of salts were investigated on the adsorption of copper ions.     

DFT studies on the acid-catalyzed Curtius reaction: the Schmidt reaction

The Schmidt reaction is the acid-catalyzed analogue of the Curtius reaction and is extensively used in organic synthesis. In this work, the mechanism of this reaction has been explored using DFT calculations at the B3LYP/6-311+G(d,p) level. Protonated formyl azide may undergo rearrangement to the product, protonated isocyanic acid, with simultaneous extrusion of molecular nitrogen (concerted mechanism), or undergo rearrangement to the anti conformer, followed by removal of nitrogen to form the nitrenium ion, which then rearranges to the final product, protonated isocyanic acid (step-wise mechanism). Like the Curtius reaction, it is found that the concerted pathway is definitely preferred. The key role of acidification in decreasing the overall energy barrier is more highlighted in case of phenyl substitution, with negligible effect on the lower homologues. For methoxy and amine substituents, there is very little difference in the activation energies of the concerted and step-wise reactions, with the former being still slightly preferred. Unlike the parent compound, the rearrangement of substituted nitrenium ion in some cases involves side reactions like C-H insertion and cyclization.