Microfluidic characteristics of a multi-holed baffle plate micro-reactor

As part of a larger project aiming at development of a miniaturized hydrogen generator for small mobile/onboard fuel cell applications, a series of experiments was conducted on a novel micro-reactor to examine the effectiveness of its design in promoting the mixing of reactant agents. The reactor is essentially a tubular vessel fitted with a multi-holed baffle plate mounted on a central tube. The mixing phenomenon within the micro-reactor was studied using the micro-PIV (micro-particle image velocimetry) flow visualization technique. Experiments were conducted on a 1:1 scale replica of the reactor. Results indicate that the application of the multi-holed baffle plate considerably improves the mixing performance of the reactor when compared with a simpler co-axial jet tubular reactor. However, the geometrical characteristics of the baffle plate and central tube are found to have dramatic impacts upon the flow structure and mixing patterns within the reactor. Hence, the optimization of the reactor geometry is required to achieve the desirable mixing performance. For the range of Reynolds numbers studied here, the optimum reactor geometry is achieved when the central tube and baffle holes are of similar diameters and baffle holes are located half way between the stream-wise axis and the reactor wall.     

The Interaction of a New Schiff Base Ligand with Human Serum Albumin: Molecular Docking and Molecular Dynamics Simulation Studies

The interaction of a new heterocyclic Schiff base bearing pyridine and pyrimidine cycles, with human serum albumin (HSA) using molecular docking and molecular dynamics simulation methods was examined. Molecular docking studies showed that the ligand was bonded to the IB domain of the protein. It was found that there was one hydrogen bond interaction between HSA and the ligand. The standard Gibbs free energy for binding of the ligand to HSA was calculated as ?9.63 kcal.mol^?1. The results of the molecular dynamics simulation showed that the root mean square deviation (RMSD) of the non-liganded HSA and the HSA–ligand complex reached equilibration after 1000 ps. The study of the radius of gyration revealed that there was a conformational change when the HSA–ligand complex was formed. Finally, analyzing the RMS fluctuations (RMSF) suggested that the structure of the ligand binding site remained approximately rigid during the simulation.     

Erratum to: Study of the structural,electrical and optical properties of Ge-Pb-Te nanocrystals

This erratum corrects a mistake happened in Figure 1 in the article. In the recent version Figure 1 is incorrect, we need to exchange it with the correct figure attached with this erratum.     

A complex target terrain SAR raw data generation and evaluation based on inversed equalized hybrid-domain algorithm processing

In this paper, synthetic aperture radar raw data generation of complex target terrain based on inverse equalized hybrid-domain processing technique is proposed. Firstly, the basic synthetic aperture radar (SAR) echo model is derived via spectral analysis of extended chirp scaling. Then, the inverse equalized extended chirp scaling algorithm (ECSA) procedure is applied directly step by step to a real input SAR image in order to generate the raw data of the reference SAR image. The whole raw data generation (RDG) procedure only consists of Inverse Equalized ECSA (IEECSA) without integral equation and computation complexity, which means easier implementation and higher efficiency. By applying the resulted RDG into different image formation algorithms (IFAs), not only the final images are reconstructed but also the resulted RDG is evaluated in practice. Finally, valid image quality assessment techniques are implemented on the reconstructed images. The simulations not only confirm the validity of the proposed RDG method based on inverse equalized hybrid-domain technique but also evaluate the quality metrics of reconstructed images as a method of reliability assurance.     

Conducting the RBD of SARS-CoV-2 Omicron Variant with Phytoconstituents from Euphorbia dendroides to Repudiate the Binding of Spike Glycoprotein Using Computational Molecular Search and Simulation Approach

(1) Background: Natural constituents are still a preferred route for counteracting the outbreak of COVID-19. Essentially, flavonoids have been found to be among the most promising molecules identified as coronavirus inhibitors. Recently, a new SARS-CoV-2 B.1.1.529 variant has spread in many countries, which has raised awareness of the role of natural constituents in attempts to contribute to therapeutic protocols. (2) Methods: Using various chromatographic techniques, triterpenes (1–7), phenolics (8–11), and flavonoids (12–17) were isolated from Euphorbia dendroides and computationally screened against the receptor-binding domain (RBD) of the SARS-CoV-2 Omicron variant. As a first step, molecular docking calculations were performed for all investigated compounds. Promising compounds were subjected to molecular dynamics simulations (MD) for 200 ns, in addition to molecular mechanics Poisson–Boltzmann surface area calculations (MM/PBSA) to determine binding energy. (3) Results: MM/PBSA binding energy calculations showed that compound 14 (quercetin-3-O-β-D-glucuronopyranoside) and compound 15 (quercetin-3-O-glucuronide 6″-O-methyl ester) exhibited strong inhibition of Omicron, with ΔG_binding of −41.0 and −32.4 kcal/mol, respectively. Finally, drug likeness evaluations based on Lipinski’s rule of five also showed that the discovered compounds exhibited good oral bioavailability. (4) Conclusions: It is foreseeable that these results provide a novel intellectual contribution in light of the decreasing prevalence of SARS-CoV-2 B.1.1.529 and could be a good addition to the therapeutic protocol.     

Electrochemical Impedance of Ethanol Oxidation in Alkaline Media

Nickel modified NiOOH electrodes were used for the electrocatalytic oxidation of ethanol in alkaline solutions. The electro-oxidation of ethanol in a 1 mol/L NaOH solution at different concentrations of ethanol was studied by ac impedance spectroscopy. Electrooxidation of ethanol on Ni shows negative resistance on impedance plots. The impedance shows different patterns at different applied anodic potential. The influence of the electrode potential on impedance was studied and a quantitative explanation for the impedance of ethanol oxidation was given by means of a proposed mathematical model. At potentials higher than 0.52 V(vs. Ag/AgCl), a pseudoinductive behavior was observed, but at those higher than 0.57 V, impedance patterns were reversed to the second and third quadrants. The conditions required for the reversing of impedance pattern were delineated with the impedance model.     

Carpachromene Ameliorates Insulin Resistance in HepG2 Cells via Modulating IR/IRS1/PI3k/Akt/GSK3/FoxO1 Pathway

Insulin resistance contributes to several disorders including type 2 diabetes and cardiovascular diseases. Carpachromene is a natural active compound that inhibits α-glucosidase enzyme. The aim of the present study is to investigate the potential activity of carpachromene on glucose consumption, metabolism and insulin signalling in a HepG2 cells insulin resistant model. A HepG2 insulin resistant cell model (HepG2/IRM) was established. Cell viability assay of HepG2/IRM cells was performed after carpachromene/metformin treatment. Glucose concentration and glycogen content were determined. Western blot analysis of insulin receptor, IRS1, IRS2, PI3k, Akt, GSK3, FoxO1 proteins after carpachromene treatment was performed. Phosphoenolpyruvate carboxykinase (PEPCK) and hexokinase (HK) enzymes activity was also estimated. Viability of HepG2/IRM cells was over 90% after carpachromene treatment at concentrations 6.3, 10, and 20 µg/mL. Treatment of HepG2/IRM cells with carpachromene decreased glucose concentration in a concentration- and time-dependant manner. In addition, carpachromene increased glycogen content of HepG2/IRM cells. Moreover, carpachromene treatment of HepG2/IRM cells significantly increased the expression of phosphorylated/total ratios of IR, IRS1, PI3K, Akt, GSK3, and FoxO1 proteins. Furthermore, PEPCK enzyme activity was significantly decreased, and HK enzyme activity was significantly increased after carpachromene treatment. The present study examined, for the first time, the potential antidiabetic activity of carpachromene on a biochemical and molecular basis. It increased the expression ratio of insulin receptor and IRS1 which further phosphorylated/activated PI3K/Akt pathway and phosphorylated/inhibited GSK3 and FoxO1 proteins. Our findings revealed that carpachromene showed central molecular regulation of glucose metabolism and insulin signalling via IR/IRS1/ PI3K/Akt/GSK3/FoxO1 pathway.     

Numerical investigation of serrated fins on natural convection from concentric and eccentric annuli with different cross sections

Journal of Thermal Analysis and Calorimetry - In this paper, the effect of internal serrated fins and eccentricity on natural convection heat transfer between annular spaces with the equivalent...     

An optical redox chemical sensor for determination of iodide

A novel optical sensor based on a redox reaction for the determination of iodide has been developed. The optode membrane is constructed by immobilization of methyltrioctylammonium chloride on triacetylcellulose polymer. The exchange of chloride as counter ion with iodate in the membrane changes the color to yellow, when it is placed in acidic solution of iodide. The sensor can readily be regenerated by 0.1 mol L⁻¹ NaOH in less than 15 s. The optode has a linear range of 3.94 × 10⁻⁶ to 5.51 × 10⁻⁵ mol L⁻¹ of iodide ions with a limit of detection 7.44 × 10⁻⁷ mol L⁻¹. The relative standard deviation for eight replicate measurements of 3.94 × 10⁻⁶ and 1.57 × 10⁻⁵ mol L⁻¹ of iodide was 2.83 and 1.38%, respectively. The sensor was successfully applied to the determination of iodide in tablet, powdered milk and urine samples.     

Rewiring dynamical networks with prescribed degree distribution for enhancing synchronizability

In this paper, we present an algorithm for enhancing synchronizability of dynamical networks with prescribed degree distribution. The algorithm takes an unweighted and undirected network as input and outputs a network with the same node-degree distribution and enhanced synchronization properties. The rewirings are based on the properties of the Laplacian of the connection graph, i.e., the eigenvectors corresponding to the second smallest and the largest eigenvalues of the Laplacian. A term proportional to the eigenvectors is adopted to choose potential edges for rewiring, provided that the node-degree distribution is preserved. The algorithm can be implemented on networks of any sizes as long as their eigenvalues and eigenvectors can be calculated with standard algorithms. The effectiveness of the proposed algorithm in enhancing the network synchronizability is revealed by numerical simulation on a number of sample networks including scale-free, Watts-Strogatz, and Erdo?s-Re?nyi graphs. Furthermore, a number of network's structural parameters such as node betweenness centrality, edge betweenness centrality, average path length, clustering coefficient, and degree assortativity are tracked as a function of optimization steps.