Nanodiamond Decorated with Silver Nanoparticles as a Sensitive Film Modifier in a Jeweled Electrochemical Sensor: Application to Voltammetric Determination of Thioridazine

Nanodiamond? graphite (NDG) decorated with Ag nanoparticles (AgNPs‐NDG) was prepared and used to construct a novel sensitive sensor for the voltammetric determination of thioridazine (TR). The results indicate a remarkable increase in the oxidation peak currents together with a negative shift in the oxidation peak potentials, in comparison to the bare pyrolytic graphite electrode. Remarkable enhancement in microscopic area of the electrode along with strong adsorption of TR on the surface of the modified electrode resulted in a considerable increase in the peak current of TR. The surface morphology and the nature of the composite film deposited on PGE were characterized by scanning electron microscopy, atomic force microscopy, cyclic voltammetry and electrochemical impedance spectroscopy. Experimental variables, such as the deposited amount of the modifier suspension, pH of the supporting electrolyte, the accumulation potential and time are optimized by monitoring the CV responses of TR. Under the optimal conditions, the modified electrode showed a wide linear response to the concentration of TR in the range of 0.08–100 µM with a detection limit of 0.01 µM. The prepared modified electrode showed several advantages: simple preparation method, high stability and uniformity in the composite film, high sensitivity, long‐term stability and remarkable voltammetric reproducibility in response to TR. The modified electrode can be successfully applied for accurate determination of trace amounts of TR in pharmaceutical and clinical preparations.     

Dynamic analysis of a novel wide-tunable microbeam resonator with a sliding free-of-charge electrode

In this paper, a MEMS-based resonator with a novel effective stiffness tunability is presented. The performance of the proposed resonator is based on the transversal vibration of the two porous cantilever microbeams with a rectangular microplate at the end of the structure. The microplate as a free-of-charge slider electrode is in contact with two other fixed substrate electrodes via the thin layer of dielectric material. Applying a constant DC voltage to the two fixed electrodes leads to the movement of free electrons in the slider and eventually to the formation of two series capacitors. As a result, the slider meets a nonlinear electrostatic force proportional to the square of the applied DC voltage. It will act as a nonlinear spring with a tunable stiffness during the oscillation of the resonator. The coupled nonlinear equations governing the longitudinal and transversal vibration of the resonator are extracted in the presence of the nonlinear voltage-sliding spring. Its steady-state solution is obtained based on a physically based learning method that makes it possible to obtain frequency response for the first harmony as well as for the higher harmonies and to predict primary and secondary resonances in different harmonies of the response. The effect of the applied tuning DC voltage, the geometrical parameters of the resonator, and the cantilever's porosity on the dynamic response of the resonator are investigated. It is shown that the tuning stiffness of this voltage-sliding spring provides a highly effective solution to realize an extreme tunable range. In the end, a modified tunable structure is introduced in which the folded beams are replaced with common ones. The modified resonator by making the nonlinear behavior of the resonator least can improve its performance significantly.

     

Optimization based design of a wideband near zero refractive index metasurface for gain improvement of planar antennas in the terahertz band

Optical and Quantum Electronics - A high-sensitive refractive index (RI) measuring method is proposed through the combined use of elliptical core photonic crystal fiber (PCF) and Sagnac...     

Expanding scissor-based UGV for large obstacles climbing

This research proposes a new extendable platform for an unmanned ground vehicle to overcome the obstacle climbing issue. The new platform is basically established on scissor mechanism principles which have been innovated to achieve long and rigid displacement. A couple of scissor mechanisms are embedded in the rover platform adjusting the mass center of rover respect to the rear and front wheels. Accordingly, it yields geometric control of the contact forces, which can simultaneously reduce the slip of the wheels and increase the performance of the obstacle climbing up. To demonstrate the performance of the proposed platform, the 3D kinematics is derived. Subsequently, the stick-slip Euler-Lagrange dynamics is derived and a three-level controller including the torque optimization is implemented to simulate the rover facing obstacles. Finally, without any hardware prototyping, the extendable rover is simulated and compared with a typical fixed-geometry rover to show the enhancement of the climbing ability by using the proposed concept. Moreover, controlling the normal contact forces of the wheels yields the slip reduction, which subsequently, increases the traction force.     

Synthesis and Characterization of Cellulose Triacetate Obtained from Date Palm (Phoenix dactylifera L.) Trunk Mesh-Derived Cellulose

Cellulosic polysaccharides have increasingly been recognized as a viable substitute for the depleting petro-based feedstock due to numerous modification options for obtaining a plethora of bio-based materials. In this study, cellulose triacetate was synthesized from pure cellulose obtained from the waste lignocellulosic part of date palm (Phoenix dactylifera L.). To achieve a degree of substitution (DS) of the hydroxyl group of 2.9, a heterogeneous acetylation reaction was carried out with acetic anhydride as an acetyl donor. The obtained cellulose ester was compared with a commercially available derivative and characterized using various analytical methods. This cellulose triacetate contains approximately 43.9% acetyl and has a molecular weight of 205,102 g·mol⁻¹. The maximum thermal decomposition temperature of acetate was found to be 380 °C, similar to that of a reference sample. Thus, the synthesized ester derivate can be suitable for fabricating biodegradable and “all cellulose” biocomposite systems.     

Stress analysis for a coated fiber embedded in an infinite matrix subjected to body force

A micromechanics model of a functionally graded coated fiber which is embedded in an infinite matrix is presented. Various combinations of friction-less sliding and perfect bounding conditions at interfaces are considered. The fiber loading is assumed to be a distributed body force. The mechanical properties of the graded coating are assumed to vary smoothly and continuously with the change of volume concentrations of the constituting materials along the radius according to a power law distribution. Numerical results show that the hoop stress at the fiber boundary in the matrix can be reduced to becoming negligible if an optimum volume fraction is chosen for coating.     

Gene Interaction Network Analysis Reveals IFI44L as a Drug Target in Rheumatoid Arthritis and Periodontitis

Simple SummaryIn spite of substantial investigation, the biological link between periodontitis and rheumatoid arthritis remains unexplained. This study intended to correlate periodontitis and rheumatoid arthritis gene expression patterns to find shared targets for both the disease. We identified the differentially expressed genes (DEGs) in periodontitis and rheumatoid arthritis. The network was built by integrating DEGs and ranking the genes using GeneMANIA. FINDSITEcomb2.0 was used to find a possible inhibitor for the top-ranked gene. Further, the binding effectiveness and protein-ligand complex stability were then determined by molecular docking and molecular dynamics. The network analysis showed IFI44L as a highly ranking gene implicated in most immunological pathways. A virtual screening of 6507 compounds revealed vemurafenib as the best candidate for the IFI44L target. Molecular docking and molecular dynamics modelling revealed the stability of the IFI44L-vemurafenib complex, which suggest IFI44L is potential target and vemurafenib could be the better candidate to treat both diseases.AbstractObjective: Despite extensive research on periodontitis and rheumatoid arthritis, the underlying molecular connectivity between these condition remains largely unknown. This research aimed to integrate periodontitis and rheumatoid arthritis gene expression profiles to identify interconnecting genes and focus to develop a common lead molecule against these inflammatory conditions. Materials and Methods: Differentially expressed genes (DEGs) of periodontitis and rheumatoid arthritis were identified from the datasets retrieved from the Gene Expression Omnibus database. The network was constructed by merging DEGs, and the interconnecting genes were identified and ranked using GeneMANIA. For the selected top ranked gene, the potential inhibitor was searched using FINDSITE^comb2.0. Subsequently, the molecular docking and molecular dynamics were performed to determine the binding efficiency and protein-ligand complex stability, respectively. Results: From the network analysis, IFN-induced protein 44-like (IFI44L) was identified as a top ranked gene involved in most of the immunological pathway. With further virtual screening of 6507 molecules, vemurafenib was identified to be the best fit against the IFI44L target. The binding energy and stability of IFI44L with vemurafenib were investigated using molecular docking and molecular dynamics simulation. Docking results show binding energy of −7.7 Kcal/mol, and the simulation results show stability till 100 ns. Conclusions: The identified IFI44L may represent a common drug target for periodontitis and rheumatoid arthritis. Vemurafenib could be a potent anti-inflammatory drug for both diseases.     

Direct Implementation of Tikhonov Regularization for the First Kind Integral Equation

A common way to handle the Tikhonov regularization method for the first kind Fredholm integral equations, is first to discretize and then to work with the final linear system. This unavoidably inflicts discretization errors which may lead to disastrous results, especially when a quadrature rule is used. We propose to regularize directly the integral equation resulting in a continuous Tikhonov problem. The Tikhonov problem is reduced to a simple least squares problem by applying the Golub-Kahan bidiagonalization (GKB) directly to the integral operator. The regularization parameter and the iteration index are determined by the discrepancy principle approach. Moreover, we study the discrete version of the proposed method resulted from numerical evaluating the needed integrals. Focusing on the nodal values of the solution results in a weighted version of GKB-Tikhonov method for linear systems arisen from the Nyström discretization. Finally, we use numerical experiments on a few test problems to illustrate the performance of our algorithms.     

Discovery of Phenylcarbamoylazinane-1,2,4-Triazole Amides Derivatives as the Potential Inhibitors of Aldo-Keto Reductases (AKR1B1 & AKRB10): Potential Lead Molecules for Treatment of Colon Cancer

Both members of the aldo-keto reductases (AKRs) family, AKR1B1 and AKR1B10, are over-expressed in various type of cancer, making them potential targets for inflammation-mediated cancers such as colon, lung, breast, and prostate cancers. This is the first comprehensive study which focused on the identification of phenylcarbamoylazinane-1, 2,4-triazole amides (7a–o) as the inhibitors of aldo-keto reductases (AKR1B1, AKR1B10) via detailed computational analysis. Firstly, the stability and reactivity of compounds were determined by using the Guassian09 programme in which the density functional theory (DFT) calculations were performed by using the B3LYP/SVP level. Among all the derivatives, the 7d, 7e, 7f, 7h, 7j, 7k, and 7m were found chemically reactive. Then the binding interactions of the optimized compounds within the active pocket of the selected targets were carried out by using molecular docking software: AutoDock tools and Molecular operation environment (MOE) software, and during analysis, the Autodock (academic software) results were found to be reproducible, suggesting this software is best over the MOE (commercial software). The results were found in correlation with the DFT results, suggesting 7d as the best inhibitor of AKR1B1 with the energy value of −49.40 kJ/mol and 7f as the best inhibitor of AKR1B10 with the energy value of −52.84 kJ/mol. The other potent compounds also showed comparable binding energies. The best inhibitors of both targets were validated by the molecular dynamics simulation studies where the root mean square value of <2 along with the other physicochemical properties, hydrogen bond interactions, and binding energies were observed. Furthermore, the anticancer potential of the potent compounds was confirmed by cell viability (MTT) assay. The studied compounds fall into the category of drug-like properties and also supported by physicochemical and pharmacological ADMET properties. It can be suggested that the further synthesis of derivatives of 7d and 7f may lead to the potential drug-like molecules for the treatment of colon cancer associated with the aberrant expression of either AKR1B1 or AKR1B10 and other associated malignancies.