Preparation of NiFe2O4/graphene nanocomposite and its application as a modifier for the fabrication of an electrochemical sensor for the simultaneous determination of tramadol and acetaminophen

An effective electrochemical sensor for the rapid and simultaneous determination of tramadol and acetaminophen based on carbon paste electrode (CPE) modified with NiFe₂O₄/graphene nanoparticles was developed. The structures of the synthesized NiFe₂O₄/graphene nanocomposite and the electrode composition were confirmed by X-ray diffraction (XRD) spectrometry, Fourier transform infrared (FT-IR) spectrometry and scanning electron microscopy (SEM). The peak currents of square wave voltammetry of tramadol and acetaminophen increased linearly with their concentration in the range of 0.01–9 μmol L⁻¹. The detection limit for their determination was found to be 0.0036 and 0.0030 μmol L⁻¹, respectively. The results show that the combination of graphene and NiFe₂O₄ nanoparticles causes a dramatic enhancement in the sensitivity of the sensor. The fabricated sensor exhibited high sensitivity and good stability, and would be valuable for the clinical assay of tramadol and acetaminophen.     

Conductometric study of complexation reaction between 15-crown-5 and Cr3+, Mn2+ and Zn2+ metal cations in pure and binary mixed organic solvents

The stability constants (K_f) for the complexation reactions of Cr³⁺, Mn²⁺ and Zn²⁺ metal cations with macrocyclic ligand, 15-crown-5 (15C5), in acetonitrile (AN), ethanol (EtOH) and also in their binary solutions (AN–EtOH) were determined at different temperatures, using conductometric method. 15C5 forms 1:1 complexes with Cr³⁺, Mn²⁺ and Zn²⁺ cations in solutions. A non-linear behaviour was observed for changes of logK_f of the metal ion complexes versus the composition of the mixed solvent. The order of stability of the metal–ion complexes in pure AN and in a binary solution of AN–EtOH (mol% AN?=?52) at 25?°C was found to be: (15C5Zn)²⁺?>?(15C5·Mn)²⁺?>?(15C5·Cr)³⁺, but in the case of pure EtOH at the same temperature, it changes to: (15C5·Zn)²⁺?>?(15C5·Cr)³⁺?>?(15C5·Mn)²⁺. The results also show that the stability sequence of the complexes in the other binary solutions of AN–EtOH (mol% AN?=?26 and mol% AN?=?76) varies in order: (15C5·Cr)³⁺?~?(15C5·Zn)²⁺?>?(15C5·Mn)²⁺. The values of the standard thermodynamic quantities (ΔH_C°, ΔS_C°) for formation of (15C15-Cr³⁺), (15C5-Mn²⁺) and (15C5-Zn²⁺) complexes were obtained from the temperature dependence of the stability constants and the results show that the thermodynamics of complexation reactions is affected by nature and composition of the solvent systems and in most solution systems, the complexes are enthalpy stabilized but entropy destabilized.     

A Potentiometric Sensor for Cd2+ Based on Carbon Nanotube Paste Electrode Constructed from Room Temperature Ionic Liquid,Ionophore and Silica Nanoparticles

A novel and effective potentiometric sensor for the rapid determination of Cd²⁺ based on carbon paste electrode consisting of the room temperature ionic liquid 1‐butyl‐3‐methylimidazolium hexafluorophosphate, multiwalled carbon nanotubes, silica nanoparticles and ionophore was constructed. The prepared composite has a low potential drift, high selectivity and fast response time, which leads to a more stable potential signal. A linear dynamic range of 4.50×10^?9–1.00×10^?1 mol L^?1 with a detection limit of 2.00×10^?9 mol L^?1 was obtained. The modified electrode was successfully applied to the accurate determination of trace amounts of Cd²⁺ in environmental and biological samples.     

CuBr‐catalysed one‐pot multicomponent synthesis of 3‐substituted 2‐thioxo‐2,3‐dihydroquinazolin‐4(1H)‐one derivatives

A novel methodology is presented for the synthesis of 3‐substituted 2‐thioxo‐2,3‐dihydroquinazolin‐4(1H)‐one derivatives based on an efficient tandem multicomponent reaction using copper bromide as catalyst. This methodology is based on the multicomponent one‐pot reaction of methyl 2‐bromobenzoate, phenylisothiocyanate derivatives and sodium azide in the presence of copper bromide and l ‐proline under basic conditions. To show the generality of the method, various phenylisothiocyanates bearing electron‐donating or electron‐withdrawing functionalities were used and the desired products were obtained in high isolated yields.     

Improvements on bed‐shear stress formulation for pier scour computation

This paper introduces an improved formula for the bed‐shear stress by applying the vorticity effect and its application in a 3D flow and sediment model to estimate scouring around bridge piers. Up to now, the sediment transport formulae used for computing pier scour were developed based on the general scouring in unobstructed flow. The capability for numerical models to predict local scour around bridge piers was severely restricted by the sediment transport formulae. The new formula introduced in this paper can take into account vortices that affect the local scour process by adding some terms into the classic bed‐shear stress equation. The 3D numerical model system used in this study consists of three modules: (a) an unsteady hydrodynamic module; (b) a sediment transport module; and (c) a Fation module. The hydrodynamic module is based on the 3D RANS equations. The sediment transport module is comprised of semi empirical models of suspended load and non‐equilibrium bed load. The bed‐deformation module is based on the mass balance for sediment. The model was used to simulate pier scour in tree different test cases: (1) a circular pier; (2) a square pier; and (3) a rectangular pier, by applying the ordinary sediment equation and the newly introduced sediment equation. Results of both numerical simulations were compared against laboratory measured data and also in case 1 with result of Olsen and Melaaen (J. Hydraul. Eng. 1993; 119 (9):1048–1054). Comparisons show that the new sediment formula could predict the scour more accurately than the ordinary one. Copyright © 2010 John Wiley & Sons, Ltd.     

A theoretical practice on grazing‐exit energy dispersive X‐ray spectroscopy as a surface analysis strategy to investigate BiVO4 nano‐films

In the current work, a thin film of bismuth vanadate was defined over a silicon substrate, and a calculative Monte Carlo approach was followed to achieve the best grazing‐exit angle to acquire compositional data from top few nanometers of surface. This strategy is very beneficial in order to increase X‐ray signals originated from surface and diminish the background X‐ray signals started off from the substrate. In this regard, grazing‐exit energy dispersive X‐ray spectroscopy can be considered as an accessible and economical analytical tool to investigate thin films and nano‐layers. The major advantage of this method is that just by applying a re‐arrangement in a scanning electron microscope, it can be used to study compositional properties of thin layers. In this contribution, a theoretical approach using Monte Carlo models was used to simulate the behavior of electron beams impinging onto BiVO₄ nano‐layers with thickness of 50 nm and electron trajectories inside the film. Characteristic X‐rays and spatial energy distribution of the backscattered electrons were also calculated. Under grazing‐exit angle of around 0.5°, the best surface signal/background noise ratio was achieved. Copyright © 2014 John Wiley & Sons, Ltd.     

Conformational analysis,tautomeric preference,intramolecular hydrogen bonding,and solvent effect on dinitrosamine: A quantum chemical study

HF, B3LYP, and MP2 methods with the standard basis set, 6‐311++G(d,p), were used to study various aspects of dinitrosamine. These results were compared with the outcomes of G2 and CBS‐QB3 methods. First, the conformational analysis and characterization of equilibrium conformations, especially global minima, were performed. On the basis of relative energies, we found that the dinitroso tautomers are more stable than the nitroso‐hydroxy (NH) ones. This preference is well‐interpreted in terms of tautomerization process and nitrosamine resonance. Furthermore, the nature of O? H···O intramolecular hydrogen bond (IMHB), in chelated forms of NH (NH‐11 and NH‐13) was comprehensively studied to evaluate the effect of hetero atoms (N) on the characteristic of IMHB systems. According to the results of isodesmic reaction method, the hydrogen bond energy of NH‐11 is greater than the malonaldehyde (MA) and NH‐13, whereas the electron density analysis and energy‐geometry correlation methods clearly predict that the hydrogen bond of NH‐11 is weaker than the MA. Additionally, the geometrical, atoms in molecules (AIM) and natural bond orbital's (NBO) parameters also emphasize on the MA as a chelated form with the strongest hydrogen bond. Finally, the solvent effects on the relative stability of selected dinitrosamine conformers are evaluated by different continuum (polarizable‐continuum model, isodensity polarizable continuum model, and self‐consistent isodensity polarizable continuum model), discrete and mixed solvent models. Theoretical results readily show that the potential energy surface of dinitrosamine, especially global minima, is strongly affected by the solvent. © 2012 Wiley Periodicals, Inc.     

Plant-Based Gums and Mucilages Applications in Pharmacology and Nanomedicine: A Review

Gums are carbohydrate biomolecules that have the potential to bind water and form gels. Gums are regularly linked with proteins and minerals in their construction. Gums have several forms, such as mucilage gums, seed gums, exudate gums, etc. Plant gums are one of the most important gums because of their bioavailability. Plant-derived gums have been used by humans since ancient times for numerous applications. The main features that make them appropriate for use in different applications are high stabilization, viscosity, adhesive property, emulsification action, and surface-active activity. In many pharmaceutical formulations, plant-based gums and mucilages are the key ingredients due to their bioavailability, widespread accessibility, non-toxicity, and reasonable prices. These compete with many polymeric materials for use as different pharmaceuticals in today’s time and have created a significant achievement from being an excipient to innovative drug carriers. In particular, scientists and pharmacy industries around the world have been drawn to uncover the secret potential of plant-based gums and mucilages through a deeper understanding of their physicochemical characteristics and the development of safety profile information. This innovative unique class of drug products, useful in advanced drug delivery applications, gene therapy, and biosynthesis, has been developed by modification of plant-based gums and mucilages. In this review, both fundamental and novel medicinal aspects of plant-based gums and mucilages, along with their capacity for pharmacology and nanomedicine, were demonstrated.     

The effect of different drying methods on band gap energy and femtosecond LIDT of nano-porous anti-reflective silica thin films

In this work, nano-porous anti-reflective silica thin films are deposited on the quartz samples by dip-coating in silica sol–gel. After dip-coating, the samples are divided into three groups and each group is heated in an oven with a different drying method. The effect of the heating methods on the morphology and optical properties of the coated layers are studied by SEM imaging and measuring optical transmission of the samples. Then based on the transmission data and calculation of absorption coefficient of the layers, the band gap energy of the silica thin films is calculated. In addition, laser induced damage threshold (LIDT) of the samples are measured by using 35 fs, 100 mJ femtosecond laser pulses. It can be seen that there is a distinct correlation between band gap energy and LIDT of the samples which both of them have been affected by heating method of the coated samples.