A novel method for risk assessment of electrostatic sensitivity of nitroaromatics through their activation energies of thermal decomposition

This study presents a novel relationship between electric spark sensitivity of nitroaromatic energetic compounds and their activation energies of thermal decomposition. The new correlation can help to elucidate the mechanism of initiation of energetic materials by electric spark. It can be used to predict the magnitude of electric spark sensitivity of new nitroaromatics, which is difficult to measure. The methodology assumes that electric spark sensitivity of a nitroaromatic energetic compound with general formula C_aH_bN_cO_d can be expressed as a function of its activation energy of thermal decomposition as well as optimized elemental composition and the contribution of specific molecular structural parameters. The new correlation has the root mean square and the average deviations of 1.43 and 1.17 J, respectively, for 22 nitroaromatic energetic compounds with different molecular structures. The proposed new method is also tested for eight nitroaromatic energetic compounds, which have complex molecular structures, e.g., 1,3,7,9-tetranitrophenoxazine, 2,4,6-tris(2,4,6-trinitrophenyl)-1,3,5-triazine, and 1-(2,4,6-trinitrophenyl)-5,7-dinitrobenzotriazole.     

Alizarin-modified sulfonate carbon nanoparticles in vanadium sensing

The adsorption processes of alizarin onto hydrophilic carbon nanoparticles (Emperor 2000?) are investigated. The significant increase in voltammetric responses for pre-adsorbed alizarin compared with those for solution confirms high affinity of alizarin to carbon nanoparticles (possibly due to π–π stacking interaction between aromatic rings of alizarin and surface-sulfonated carbon nanoparticles). To obtain the optimum of adsorption conditions, the effects of pH, agitation rate, and adsorption time are investigated. Under square wave voltammetry conditions, the peak current for the reduction of alizarin shows a linear relationship with concentration in the range from 2.0 to 10.0 nM. The limit of detection is estimated 5.8?×?10^?9 mol L^?1. Next, alizarin is applied as a receptor for sensing of trace vanadium in acetate buffer pH 5. Linear calibration curves are obtained for vanadium in the range of 1.0?×?10^?6 to 1.0?×?10^?4 mol L^?1 and the limit of detection is estimated 9.6?×?10^?8 mol L^?1. Determination of vanadium in real samples such as sea and tap water is demonstrated.     

Cross-Correlated Motions in Azidolysozyme

The changes in the local and global dynamics of azide-labelled lysozyme compared with that of the wild type protein are quantitatively assessed for all alanine residues along the polypeptide chain. Although attaching -N3 to alanine residues has been considered to be a minimally invasive change in the protein it is found that depending on the location of the alanine residue, the local and global changes in the dynamics differ. For Ala92, the change in the cross-correlated motions are minimal, whereas attaching -N3 to Ala90 leads to pronounced differences in the local and global correlations as quantified by the cross-correlation coefficients of the Cα atoms. We also demonstrate that the spectral region of the asymmetric azide stretch distinguishes between alanine attachment sites, whereas changes in the low frequency, far-infrared region are less characteristic.     

Improving the neural network method for finite element model updating using homogenous distribution of design points

In developing a neural network technique for a finite element model updating, researchers have been shown that the number of training samples and their quality, significantly affect the accuracy of the NN predication. In this study, based on the genetic algorithm (GA) method, we reduce the number of analyses required to develop the training pairs and reduce the amount of time for training the NN. In the other words, a uniform distribution of design points inside the design space will be obtained by means of this approach. To validate the efficiency of GA sample selection, random generation (RG) method is used for comparison. Two comparisons are made based on a numerical and experimental example. One is updated from 10 degrees of freedom lumped parameters system and the other is updated from a free–free beam using test data. The results indicate that the GA sample selection can reduce the number of training samples without affecting the accuracy of the NN predication. In our present study, also, the advantages of using frequency response function (FRF) data as input to the NN are kept and the drawback of having too many frequency points is overcome by the application of principal component analyses (PCA).     

Novel model of FM-noise conversion in a UMZI using RF external phase modulation of lasers: Theoretical and experimental results

In this paper, we propose and demonstrate a new and original model for theoretical calculation and experimental measurement of the noise power spectral density (NPSD) in phase-modulated optical links. The phase modulation is operated in the RF frequency range by an external phase modulator. The NPSD is derived for the first time in interferometric systems, by considering all effects such as the 1/f FM noise of the laser and white noise applied to light from a 1550 nm DFB laser, with phase modulation. The results show for the first time the influence of the phase modulation index, modulation frequency and interferometric delay in the phase-to-intensity noise conversion. The experimental and simulation results of conversion of FM-noise to intensity noise in an optical link by considering the external RF phase modulation are shown with good agreement.     

Maximum flow problem on dynamic generative network flows with time-varying bounds

This paper considers a new class of network flows, called dynamic generative network flows in which, the flow commodity is dynamically generated at a source node and dynamically consumed at a sink node and the arc-flow bounds are time dependent. Then the maximum dynamic flow problem in such networks for a pre-specified time horizon T is defined and mathematically formulated in both arc flow and path flow presentations. By exploiting the special structure of the problem, an efficient algorithm is developed to solve the general form of the dynamic problem as a minimum cost static flow problem.     

Facile synthesis,characterization, and decolorization activity of Mn2+ and Al3+ co-doped hexagonal-like ZnO nanostructures as photocatalysts

A good photocatalyst with high efficiency can be synthesized easily using eco-friendly materials and processes. Our synthesized samples exhibit all of the aforementioned features. In this work, manganese co-doped ZnO at different weight percentages (3, 6, 9, and 15 wt.%) with and without 1.5 wt.% aluminum was synthesized by hydrothermal method, and their photocatalytic activity in aqueous solutions of methyl orange (MO) was investigated under visible light. The structural and optical properties of the samples were characterized using X-ray powder diffraction, Fourier-transform infrared spectroscopy, scanning electron microscopy, energy-dispersive X-ray analysis, and diffuse reflectance spectroscopy. In this work, Mn²⁺ ions in the 9%Mn/ZnO sample and Mn²⁺, Al³⁺ ions in the (9%Mn, 1.5%Al)/ZnO sample calcined at 800 °C were replaced instead with some Zn²⁺ ions in hexagonal wurtzite structures of ZnO. These structures were found next to each other in the form of a hexagonal shape that created 3D-hexagonal-like ZnO nanostructures. Finally, nanoparticles (NPs) and nano hexagonal-like ZnO nanostructures were, respectively, dispersed on the surface of 3D-hexagonal-like structure of 9%Mn/ZnO and (9%Mn, 1.5%Al)/ZnO. Diffuse reflectance spectroscopy analysis showed that the (9%Mn, 1.5%Al)/ZnO sample had more light absorption than 9%Mn/ZnO. However, contrary to our expectations, the 9%Mn/ZnO sample had better decolorization efficiency (94%) after 60 min under visible light, which could be attributed to a significant increase in the level of recombination by the aluminum ions.     

Copper-based metal–organic framework decorated by CuO hair-like nanostructures: Electrocatalyst for oxygen evolution reaction

We report a Cu-based metal–organic framework (MOF) decorated by CuO nanostructures as an efficient catalyst for the oxygen evolution reaction (OER). MIL-53(Cu) was synthesized by a hydrothermal approach using 1,4-bezenedicarboxylic acid as organic precursor and further annealed at 300°C to form CuO nanostructures on its surface. The produced electrocatalyst, CuO@MIL-53(Cu), was characterized using various techniques. Under alkaline conditions, the developed electrocatalyst exhibited an overpotential of 801 and 336 mV versus RHE at 10 and 1 mA cm⁻², respectively. The reproducibility of the catalytic performance was validated using several electrodes. It was confirmed that the CuO hair-like nanostructures grown on MIL-53(Cu) using thermal treatment exhibit high OER activity, good kinetics and durability. CuO@MIL-53(Cu) is an economic noble-metal-free OER electrocatalyst. It has potential for application as anode material for sustainable energy technologies like batteries, fuel cells and water electrolysis.     

Palladium nanoparticles immobilized over Strawberry fruit extract coated Fe3O4 NPs: A magnetic reusable nanocatalyst for Suzuki-Miyaura coupling reactions

This paper develops a green method for in situ decorated of palladium nanoparticles over Fe₃O₄ nanoparticles, by utilizing Strawberry fruit extract and ultrasound irradiations, with no use of any toxic reducing agent. The structure's characterization is represented via diverse analytical methods such as FT-IR, FE-SEM, TEM, WDX, ICP, EDS and XXPS. Catalytic efficiency of magnetic Fe₃O₄@Strawberry/Pd nanocatalyst is investigated in production of different biphenyls with good turnover frequencies (TOF) and turnover numbers (TON) through Suzuki coupling reactions. Furthermore, the catalyst could be recovered and reused 7 runs without considerable palladium leaching or alteration in its performance.     

Spacecraft formation flying in the port-Hamiltonian framework

The problem of controlling the relative position and velocity in multi-spacecraft formation flying in the planetary orbits is an enabling technology for current and future research. This paper proposes a family of tracking controllers for different dynamics of Spacecraft Formation Flying (SFF) in the framework of port-Hamiltonian (pH) systems through application of timed Interconnection and Damping Assignment Passivity-Based Control (IDA-PBC). The leader–multi-follower architecture is used to address this problem. In this regard, first we model the spacecraft motion in the pH framework in the Earth Centered Inertial frame and then transform it to the Hill frame which is a special local coordinate system. By this technique, we may present a unified structure which encompasses linear/nonlinear dynamics, with/without perturbation. Then, using the timed IDA-PBC method and the contraction analysis, a new method for controlling a family of SFF dynamics is developed. The numerical simulations show the efficiency of the approach in two different cases of missions.