Dimethyl sulfoxide/deep eutectic solvents mixtures as media in the reaction of 1‐fluoro‐2,4‐dinitrobenzene with piperidine: A solvent effect study

Aromatic nucleophilic substitution reaction of 1‐fluoro‐2,4‐dinitrobenzene with piperidine was kinetically investigated in ethylene glycol‐choline chloride and glycerol‐choline chloride as 2 deep eutectic solvents (DESs) mixed with dimethyl sulfoxide, in whole mole fractions, at room temperature. The investigation of the reaction in different concentrations of the piperidine shows that the reaction follows the base‐catalyzed mechanism. The measured rate coefficients of the reaction demonstrated a sharp decreasing in all mixtures with the increasing mole fraction of DESs. Linear free energy relationship investigations confirm that hydrogen bond donor ability in addition to polarity‐polarizability of the media has a major effect on the reaction rate. The decrease in the rate coefficient is attributed to not only hydrogen‐bonding donor interactions of the media with piperidine as both reactant and catalyst but also the preferential solvation of reactants by DES compared with the intermediate of the reaction.     

Bidirectional Quantum Teleportation of a Class of <Emphasis Type="Italic">n</Emphasis>-Qubit States by Using (2<Emphasis Type="Italic">n</Emphasis> + <Emphasis Type="Bold">2</Emphasis>)-Qubit Entangled States as Quantum Channel

A new protocol of bidirectional quantum teleportation (BQT) is proposed in which the users can transmit a class of n-qubit state to each other simultaneously, by using (2n + 2)-qubit entangled states as quantum channel. The state of the art approaches can only transmit two-qubit states in each round. This scheme is based on control-not operation, single-qubit measurements and appropriate single-qubit unitary operations. It is shown that the protocol is secure in preparation phase.     

Effective Mass of Radion via GW Mechanism with a Non-Minimally Coupled Bulk Scalar Field

In the Randall-Sundrum braneworld scenario via the Goldberger-Wise mechanism, the effective mass of 4D radion, where the bulk scalar field is coupled to 5D gravity, has been investigated in two different case of the self-coupling constants, infinite and finite cases. It is shown that in the finite case, the modulus parameter should be greater than the finite coupling constants.     

An integrated structure- and pharmacophore-based MMP-12 virtual screening

MMP-12 belongs to a large family of proteases called matrix metalloproteinases (MMPs) that degrades elastin. The main pathologic role of MMP-12 overexpression was suggested to be associated with pathogenesis mechanism of inflammatory respiratory diseases and atherosclerosis. An integrated ligand- and structure-based virtual screening was employed in hope of finding inhibitors with new scaffolds and selectivity for MMP-12. Seven compounds among 18 experimentally tested compounds had a measurable effect on the inhibition of MMP-12 enzyme. Our results demonstrated the applicability of the developed pharmacophore model and selected crystal structure (PDB code: 3F17) to discover new MMP-12 inhibitors. The receptor structure was selected based on cross-docking results. Here, we report the discovery of new class of MMP-12 inhibitors that could be used for lead optimization. For the inhibition of MMP-12, the significance of its interactions with the catalytic residues Glu219 and Ala182 was emphasized through the inspection of the docking poses.     

Microwave-assisted green synthesis of 4,5-dihydro-1<Emphasis Type="Italic">H</Emphasis>-pyrazole-1-carbothioamides in water

Rapid, efficient, simple and green procedure for the synthesis of 4,5-dihydro-1H-pyrazole-1-carbothioamides via the multicomponent reaction of aryl aldehydes, acetophenones and thiosemicarbazide in water in the presence of tetrabutylammonium hydroxide under microwave irradiation is reported.     

Modeling the effects of interband and intraband transitions on phase and gain stabilities of quantum dot semiconductor optical amplifiers

In this paper, the effects of interband and intraband transitions on the gain and phase stabilities in quantum dot semiconductor optical amplifier (QD-SOA) are investigated both temporally and spectrally employing electrical and optical pumping schemes. For this purpose, the carrier rate equations in different energy states coupled to the traveling wave optical field equation have been numerically solved to derive the dynamical behavior of QD-SOA. Our results show that the gain and phase response can be stabled under optical pumping (OP) scheme because the role of the interband and intraband transitions on the dynamics of QD-SOA is reduced. This behavior leads to high-speed pattern effect-free cross-phase modulation (XPM) in QD-SOA. It is found that optically pumped QD-SOA can have high performance in phase based applications. Moreover, it is shown that under OP scheme although the QD-SOA has lower gain value and slower gain recovery time, the ultrafast cross-gain modulation (XGM) without pattern effect is possible and the phase is recovered within a shorter time compared to EP scheme. The behavior arises from the different capacity of the carrier reservoir for pumping schemes.     

Polyaniline-coated cerium oxide nanoparticles as an efficient adsorbent for preconcentration of ultra-trace levels of cadmium (ІІ) followed by electrothermal atomic absorption spectrometry

For the first time, polyaniline-coated cerium oxide nanoparticles were synthesized in alkaline media and applied for preconcentration of ultra-trace levels of cadmium (??) in different real samples followed by electrothermal atomic absorption spectrometry. Cerium oxide nanoparticles were synthesized by a microwave method and modified by polyaniline to produce polyaniline-coated cerium oxide nanoparticles. Fourier-transform infrared spectroscopy and scanning electron microscopy were used to characterize the synthesized adsorbent. To optimize the critical experimental conditions; surface response methodology—Box–Behnken experimental design was used. On the basis of the results, pH 8.4, 10?mg of polyaniline-coated cerium oxide nanoparticles, 14.4?min extraction time, and 4.3?min desorption time were selected as the optimum conditions. Under the optimum conditions the calibration curve of cadmium (??) was linear in the range of 0.02–0.4?ng?mL^?1 with a correlation coefficient of 0.9976. The relative standard deviation based on seven replicate analysis of 0.1?ng?mL^?1 cadmium (??) was 4.2% and limit of detection was 0.005?ng?mL^?1 cadmium (??). The analysis of certified reference material shows very good agreement with the certified value. Finally, the proposed method was applied for the determination of ultra-trace levels of cadmium (??) in different water, rice, and tea samples.     

Generating one-, two-, three- and four-scroll attractors from a novel four-dimensional smooth autonomous chaotic system

A new four-dimensional quadratic smooth autonomous chaotic system is presented in this paper, which can exhibit periodic orbit and chaos under the conditions on the system parameters. Importantly, the system can generate one-, two-, three- and four-scroll chaotic attractors with appropriate choices of parameters. Interestingly, all the attractors are generated only by changing a single parameter. The dynamic analysis approach in the paper involves time series, phase portraits, Poincar\'{e} maps, a bifurcation diagram, and Lyapunov exponents, to investigate some basic dynamical behaviours of the proposed four-dimensional system.     

Tracking noisy limit cycle oscillation with nonlinear filters

For engineering systems, the dynamic state estimates provide valuable information for the detection and prediction of failure due to noise and vibration. From this perspective, nonlinear filtering techniques are applied to the problem of state estimation of dynamical systems undergoing noisy limit cycle oscillation. Specifically, the extended Kalman filter, ensemble Kalman filter and particle filter are used to track the limit cycle oscillations of a Duffing oscillator using noisy observational data. The noisy limit cycle oscillations feature highly non-Gaussian trends. The efficiency and limitations of the extended Kalman filter, ensemble Kalman filter and particle filter in tracking limit cycle oscillations are examined with respect to the model and measurement noise and sparsity of measurement data. For the limit cycle oscillations considered here, it is demonstrated that the ensemble Kalman filter and particle filter outperform the extended Kalman filter in the presence of sparse observational data or strong measurement noise. For moderate measurement noise and frequent measurement data, the ensemble Kalman filter and particle filter perform equally well in comparison to the extended Kalman filter.