A new computational method for solving two‐dimensional Stratonovich Volterra integral equation

This paper presents a method for computing numerical solutions of two‐dimensional Stratonovich Volterra integral equations using one‐dimensional modification of hat functions and two‐dimensional modification of hat functions. The problem is transformed to a linear system of algebraic equations using the operational matrix associated with one‐dimensional modification of hat functions and two‐dimensional modification of hat functions. The error analysis of the method is given. The method is computationally attractive, and applications are demonstrated by a numerical example. Copyright © 2017 John Wiley & Sons, Ltd.     

Precise correction to parameter ρ in the littlest Higgs model

In this paper tree-level violation of weak isospin parameter, ρ in the frame of the littlest Higgs model is studied. The potentially large deviation from the standard model prediction for the ρ in terms of the littlest Higgs model parameters is calculated. The maximum value for ρ for f=1TeV, c=0.05,c′= 0.05 and υ′= 1.5GeV is ρ=1.2973 which means a large enhancement than the SM.     

Microwave Assisted Deprotection of N , N -Dimethylhydrazones in Water Using Palladium Chloride–Tin Chloride as Catalyst

 N,N-Dimethylhydrazones of ketones and aldehydes undergo facile cleavage to the corresponding carbonyl compounds upon exposure to microwaves in water containing a catalytic amount of PdCl₂–SnCl₂ in high yields.     

<Emphasis Type="SmallCaps">l</Emphasis>-Tryptophan-catalyzed Paal–Knorr pyrrole cyclocondensation: an efficient,clean and recyclable organocatalyst

A simple, clean, and efficient solvent-free protocol is introduced for Paal–Knorr pyrrole synthesis catalyzed by l-tryptophan as a thermally resistant, natural primary amino acid. The products were obtained mostly in excellent yields through the reaction of hexane-2,5-dione with aromatic primary amines bearing a variety of substituents. The catalyst could be easily isolated from the reaction mixture and recycled at least six times without significant loss of activity. The procedure has an environmentally benign nature in agreement with the concepts of green chemistry.     

A microfluidic electrochemical detection technique for assessing stability of thin films and emulsions

An experimental technique is developed for assessing stability of thin liquid films by application of electric potential to compress the liquid film and to simultaneously measure the electrical properties of the system. The concept involves creating a thin film at the intersection of two microchannels etched onto a glass substrate. A ramped DC potential difference is applied across the film, which develops an electrical stress across the film. Increasing the potential to a critical value leads to the rupture of the film. The critical potential is used to assess the stability of the liquid film. Small channel dimensions in this microfluidic platform allow characterization of thin films formed between micron-sized droplets representing systems with high capillary pressures, analysis of which are typically beyond the scope of conventional thin film characterization techniques. The results of DC potential breakdown of films show that critical potential can be considered as a measure of thin film stability.     

Synthesis, crystal structure and magnetic properties of a new pillared perovskite La5Mo2.75V1.25O16

A new pillared perovskite compound La₅Mo_2.76(4)V_1.25(4)O₁₆, has been synthesized by solid-state reaction and its crystal structure has been characterized using powder X-ray and neutron diffraction. The magnetic properties of this compound have been investigated using SQUID magnetometry, and the magnetic structure has been studied using neutron diffraction data. A theoretical calculation of relative strengths of spin interactions among different magnetic ions and through different pathways has been performed using extended Hückel, spin dimer analysis. The crystal structure of this material contains perovskite-type layers that are connected through edge-sharing dimeric units of octahedra. The structure is described in space group C2/m with unit cell parameters a=7.931(2) Å, b=7.913(2) Å, c=10.346(5) Å and β=95.096(5)°. The material shows both short-range ferrimagnetic correlations from ∼200 to 110 K and long-range antiferromagnetic order below T_c∼100 K. The magnetic structure was investigated by neutron diffraction and is described by k=(0 0 ) as for other pillared perovskites. It consists of a ferrimagnetic arrangement of Mo and V within the layers that are coupled antiferromagnetically between layers. This is the first magnetic structure determination for any Mo-based pillared perovskite.     

Thermal rearrangement study of low molecular weight polybutadiene

Various polybutadienes (PBDs) of low molecular weight were heated below complete crosslinking at 250 °C under anaerobic nonpyrolytic conditions, and the structural changes were investigated. The predominant crosslinking reactions arise from the presence of 1,2-vinyl isomer and the most important one is intermolecular reaction accompanied with methyl group formation. The analysis showed that two crosslinking types as well as two types of methyl groups have been produced in which one was the result of 1,2-vinyl isomer of one chain crosslinked via methylene carbon of another chain of cis or trans isomer, and the second methyl group was the product of the reaction between 1,2-vinyl isomers of two PBD chains. Chain scission also occurred in two pathways due to the presence of 1,2-vinyl isomer, scission at two adjacent 1,2-vinyl isomer and scission at adjacent 1,2-vinyl with cis or trans isomer giving rise to methyl carbons.     

A needle trap device packed with MIL-100(Fe) metal organic frameworks for efficient headspace sampling and analysis of urinary BTEXs

The aim of this study was to develop a new method for the determination of benzene, toluene, ethylbenzene and xylene isomers (BTEXs) in urine samples. In this method, MIL-100(Fe)@Fe₃O₄@SiO₂ metal–organic framework was synthesized, characterized and packed inside a needle trap device (NTD) as a sorbent for headspace extraction of unmetabolized BTEXs from urine samples followed by gas chromatography (GC) analysis. The GC device was equipped with a flame ionization detector (FID). The results showed that the optimal extraction time, extraction temperature and salt content were 60 min, 30°C and 5%, respectively. Also, the optimal desorption time and temperature were determined to be 1 min and 250°C, respectively. The limits of detection and quantification of the analytes of interest were in the ranges 0.0001–0.0005 and 0.0003–0.0014 μg ml⁻¹, respectively. The intra- and inter-day repeatability were <7.6%. The accuracy of the measurements in urine samples was in the range 7.1–11.4%. The results also demonstrated that the proposed NTD offered various advantages such as having high sensitivity and being inexpensive, reusable, user friendly, environmentally friendly and compatible for use with the GC device. Therefore, it can be efficiently used as a MIL–NTD for the extraction and analysis of unmetabolized BTEXs from urine samples.     

Development of a needle trap device packed with titanium‐based metal‐organic framework sorbent for extraction of phenolic derivatives in air

We developed a novel method of needle trap device packed with titanium‐based metal‐organic framework for the extraction of phenolic derivatives in air followed by gas chromatography‐flame ionization detector analysis. The synthetized adsorbent was packed inside a 22‐gauge spinal needle. This method was first tested at laboratory scale, and then was used for field sampling of phenolic derivatives in air. A glass chamber placed on a heater at 60°C was used to provide different concentrations of phenolic derivatives. The desorption conditions and breakthrough volume were optimized using response surface methodology. The limit of detection and limit of quantitation of the proposed method were estimated to be in the range of 0.001–0.12 and 0.003–0.62 ng/mL, respectively, indicating a high sensitivity for the suggested sampler. Storing the packed needle trap device in a refrigerator at 4?C for 60 days did not dramatically affect the storage stability. Our findings indicated that there was a high correlation coefficient (R² = 0.99) between the measurement results of this method and the NIOSH recommended method (XAD‐7 sorbent tube). Therefore, it can be concluded that the needle trap device packed with titanium‐based metal‐organic framework can be used as a efficient method for extraction of phenolic derivatives in air.     

Comparison of volatile constituents, and antioxidant and antibacterial activities of the essential oils of Thymus caucasicus, T. kotschyanus and T. vulgaris

A comparison of the chemical composition, and antioxidant and antibacterial activities of the essential oils obtained from the aerial parts of Thymus caucasicus, T. kotschyanus, and T vulgaris was carried out. The oils, obtained by hydrodistillation, were analyzed by GC and GC/MS. Twenty, 29 and 22 compounds representing 94.8%, 96.6% and 98.2% of the essential oils of T. caucasicus, T. kotschyanus and T. vulgaris, respectively, have been identified. The oil of T. caucasicus was characterized by 1,8-cineol (21.5%), thymol (12.6%), beta-fenchyl alcohol (8.7%), nerolidol (7.8%), terpinolene (7.2%), alpha-pinene (7.0%) and myrcene (6.8%). In the oil of T. kotschyanus, carvacrol (24.4%), beta-caryophyllene (14.5%), gamma-terpinene (12.4%), alpha-phellandrene (10.8%), p-cymene (9.8%) and thymol (6.8%) were the predominant compounds, whereas the main components of T. vulgaris oil were thymol (43.8%), p-cymene (15.2%), germacrene-D (11.7%), terpinolene (3.4%), carvacrol (3.2%), beta-caryophyllene (2.8%) and alpha-thujene (2.2%). In all three plants oil, hydrocarbon monoterpenes predominated over sesquiterpenes. Antioxidant activities were assessed by determining IC50 values in the DPPH radical scavenging assay. Antibacterial activity was determined by measuring minimum inhibitory concentration (MIC) using the broth dilution method. The essential oils of T. caucasicus, T. kotschyanus and T. vulgaris showed free radical scavenging and antibacterial activity.