Mechanochemical conversion of nano potassium hydrogen terephthalate to thallium analogue nanoblocks with strong hydrogen bonding and straight chain metalophillic interactions

Irreversible mechanochemical conversion of three‐dimensional K^I coordination polymer [K(μ₆‐HTA)]_n ( 1 ), [H₂TA = terephetalic acid], prepared by sonochemical procedure, to Tl^I analogue coordination polymer nanoblocks was studied. The structure of [Tl(μ₃‐HTA)]_n ( 2 ) is exactly the same as 1 and the Tl ion has distorted octahedral coordination. The carbonyl oxygen is coordinated to two different metal ions, while another oxygen atom is bonded to one metal and participates in a very strong hydrogen bond. Both compounds have secondary straight chain metallophilic interactions. In addition to the same structures of 1 and 2 , the same crystal data of them also approved that the chemistry of thallium(I) parallels that of the potassium(I) in many ways.     

Analytical Approximate Solution of SchrSdinger Equation in D Dimensions with Quadratic Exponential-Type Potential for Arbitrary/-State

We present the bound state solution of Schr6dinger equation in D dimensions for quadratic exponential-type potential for arbitrary l-state. We use generalized parametric Nikiforov-Uvarov method to obtain the energy levels and the corresponding eigenfunction in dosed form. We also compute the energy eigenvalues numerically.     

All optical self signal processing using chalcogenide nonlinear fiber Bragg grating

In this study, we simulate numerically quasi pulse propagation in a uniform nonlinear fiber Bragg grating (FBG) made of chalcogenide glasses. Because of bistability and nonlinearity behavior of FBG, the shapes of output pulse vary abruptly and strongly according to the input peak intensity. We take Gaussian pulse as input and produce saw-tooth wave and square wave in the output by suitable input amplitude and FBG length also we could reach pulse chopping and pulse compression. These all optical signal processing achieved for a few length, i.e. 6.6 mm and few intensity, i.e. 35 W/m² because of high nonlinearity of chalcogenide glasses.     

Ab‐Initio calculations of the CO adsorption and dissociation on substitutional Fe–Cu surface alloys relevant to Fischer–Tropsch Synthesis: bcc‐(Cu)Fe(100) and fcc‐(Fe)Cu(100)

Direct CO dissociation is seen the main path of the first step in the Fischer–Tropsch Synthesis (FTS) on the reactive iron surfaces. Cu/Fe alloy film is addressed with various applications over face‐centered‐cubic (fcc)‐Cu and body‐centered‐cubic (bcc)‐Fe in the FTS, i.e. preventing iron carbide formation (through direct CO dissociation) by moderating the surface reactivity and facilitating the reduction of iron surfaces, respectively. In this study by density functional theory, the stable configurations of CO molecule on various Cu/Fe alloys over fcc‐Cu(100) and bcc‐Fe(100) surfaces with different CO coverage (25% and 50%) have been evaluated. Our results showed that the ensemble effect plays a fundamental role to CO adsorption energy on the surface alloys over bcc‐Fe(100); on the other hand, the ligand effect determines the CO stability on the fcc‐Cu(100) surface alloys. CO dissociation barrier was also calculated on the surface alloys that showed although the CO dissociation process is thermodynamically possible on the more reactive surface alloys, but according to their high barrier, CO dissociation does not occur directly on these surfaces. Copyright © 2013 John Wiley & Sons, Ltd.     

Suitability of Different 13C Solid-state NMR Techniques in the Characterization of Humic Acids

Qualitative and quantitative analyses of humic acids (HAs) with five different ¹³C solid-state NMR techniques were assessed using HAs of various origins and locations. The NMR techniques compared are: (1) direct polarization/magic angle spinning (DP/MAS) at 13 kHz, (2) conventional cross polarization (CP)/MAS at 5 kHz, (3) ramp-CP/MAS at 8 kHz, (4) CP/total sideband suppression (TOSS) at 4.5 kHz, and (5) DP/MAS corrected by CP/spin-lattice relaxation with TOSS. The spectra from the five techniques were first compared qualitatively. Then, each spectrum was divided into eight regions for quantitative evaluation. DP/MAS spectra were used as quantitative references. Ramp-CP/MAS and CP/TOSS spectra gave consistently better results than those of the conventional CP/MAS spectra at a ¹³C frequency of 75 MHz, which were incorrect due to spinning sidebands. CP/MAS at low magnetic fields (22.6 and 50.6 MHz ¹³C frequency) indicated improved integration results but lower resolution. Correction factors calculated by comparison with DP/MAS will be useful to convert the non-quantitative peak areas in the CP/TOSS and ramp-CP/MAS spectra into more quantitative results.     

A Proline-Based Aminophosphinic Acid Ligand and It’s Vanadyl Complex: Synthesis,Characterization and In Vitro Inhibitory Effects on α-Amylase And α-Glucosidase

Abstract

A proline-based aminophosphinic acid ligand and it's vanadium complex have been synthesized and characterized by spectroscopic techniques. The inhibitory activity on pancreatic α-amylase and Baker's yeast α-glucosidase has been examined in vitro. The novel complex showed more inhibitory potency against pancreatic α-amylase and Baker's yeast α-glucosidase compared to acarbose as an antidiabetic drug.

Supplemental materials are available for this article. Go to the publisher's online edition of Phosphorus, Sulfur, and Silicon and the Related Elements to view the free supplemental file.     

Thermal and structural studies of zinc zirconate nanoscale composite derived from sol–gel process

In the present investigation, a novel synthetic zinc zirconate nanocomposites were prepared by a sol–gel technique using a very stable sol containing zirconium acetylacetonate, zinc acetate, monoethanolamine, and 1,3-propanediol as chelating agent. Thermal analysis results indicated that the decomposition of zinc zirconate precursors occurred at 225 and 234 °C. The influence of thermal annealing (temperatures and duration) on their structural properties has been studied by means of X-ray diffraction and Fourier transform-infrared spectroscopy techniques. The results indicated that a higher percent of zinc zirconate is formed at 800 °C and reached maximum at 1,000 °C in 120 min. The morphology, composition, and bandgap properties of zinc zirconate nanoparticles were characterized by transmission electron microscope, scanning electron microscope (SEM), Energy-dispersive X-ray spectroscopy, and ultraviolet diffiuse reflectance. The SEM observation showed that average grain size of zinc zirconate nanopowders was 58 nm. The optical results revealed maximum absorbances at 394, 413, and 438 nm for ZnZrO₃ sample annealed at 400, 800, and 900 °C for 30 min, respectively. This is an indication that the nanopowder can absorb lights in the higher wavelength.     

Second law analysis for nanofluid flow in mini-channel heat sink with finned surface: a study on fin geometries

Journal of Thermal Analysis and Calorimetry - In this numerical work, a second law analysis is carried out for the nanofluid flow and heat transfer in the mini-channel with finned surface. The...     

Electrochemically Induced Diels‐Alder Reaction: An Overview

One of the most important name reactions in organic chemistry, is the Diels‐Alder cycloaddition reaction. It is a chemical reaction between a conjugated diene and a substituted alkene, commonly termed the dienophile to construct a substituted cyclohexene derivative. It is the stereotypical example of a pericyclic reaction with a concerted mechanism. In synthesis, the use of electricity instead of stoichiometric amounts of oxidant or reducing agents is definitely appealing for economic, ecological and selective, reasons. In this review, we try to underscore the combination of the electrosynthesis with Diels‐Alder cycloaddition reaction to establish of a powerful synthetic tool which may encourage synthetic organic chemists to use it in the future.     

Selective extraction of clonazepam from human plasma and urine samples by molecularly imprinted polymeric beads

A molecularly imprinted polymer (MIP) based on free‐radical polymerization was prepared with 1‐(N,N‐biscarboxymethyl)amino‐3‐allylglycerol and N,N‐dimethylacrylamide as functional monomers, N,N‐methylene diacrylamide as the cross‐linker, copper ion‐clonazepam as the template and 2,2‐azobis(2‐methylbutyronitrile) as the initiator. The imprinted polymer was characterized by Fourier transform infrared spectroscopy, elemental analysis, thermogravimetric analysis, and SEM. The MIP of agglomerated microparticles with multipores was used for SPE. The imprinted polymer sorbent was selective for clonazepam. The optimum pH and sorption capacity were 5 and 0.18 mg/g at 20°C, respectively. The profile of the drug uptake by the sorbent reflects good accessibility of the active sites in the imprinted polymer sorbent. The MIP‐SPE was the most feasible technique for the extraction of clonazepam with a high recovery from human plasma and urine samples.