Microwave Assisted Rupture of Furoxans to Nitrile Oxides and Intermolecular Capture by Dipolarophiles

3,4-Diaroylfuroxans 1 react with various dipolarophiles 3 under microwave activation to afford the cycloadduct 4 instead of the expected isoxazole 5 in good yields in the absence of solvent.     

Beating oscillation and Fano resonance in the laser assisted electron transmission through graphene δ-function magnetic barriers

We investigate theoretically the transmission of electrons through a pair of δ-function magnetic barriers in graphene in presence of external monochromatic, linearly polarized and CW laser field. The transmission coefficients are calculated in the framework of non-perturbative Floquet theory using the transfer matrix method. It is noted that the usual Fabry–Perot oscillations in transmission through the graphene magnetic barriers with larger inter barrier separation takes the shape of beating oscillations in presence of the external laser field. The laser assisted transmission spectra are also found to exhibit the characteristic Fano resonances (FR) for smaller values of the inter barrier separation. The appearance of the perfect node in the beating oscillation and the asymmetric Fano line shape can be controlled by varying the intensity of the laser field. The above features could provide some useful and potential information about the light - matter interactions and may be utilized in the graphene based optoelectronic device applications.     

Newton trajectories for the tilted Frenkel–Kontorova model

ABSTRACT

Newton trajectories are used for the Frenkel–Kontorova model of a finite chain with free-end boundary conditions. We optimise stationary structures, as well as barrier breakdown points for a critical tilting force were depinning of the chain happens. These special points can be obtained straight forwardly by the tool of Newton trajectories. We explain the theory and add examples for a finite-length chain of a fixed number of 2,?3,?4,?5 and 23 particles.     

Synthesis and characterization of intrinsic high‐barrier polyimide derived from a novel diamine monomer containing rigid planar moiety

A new diamine monomer containing rigid planar fluorenone moiety, 2,7‐bis(4‐aminophenyl)‐9H‐fluoren‐9‐one, was synthesized through Suzuki coupling reaction. Then it was reacted with pyromellitic dianhydride to obtain a polyimide (FOPPI) via a conventional two‐step polymerization process. The prepared FOPPI exhibits excellent barrier properties, with the oxygen transmission rate and water vapor transmission rate low to 3.2 cm³·m^?2·day^?1 and 2.9 g·m^?2·day^?1, respectively. The results of wide angle X‐ray diffractograms, positron annihilation lifetime spectroscopy, and molecular dynamics simulations reveal that the excellent barrier properties of FOPPI are mainly ascribed to the crystallinity, high chain rigidity, and low free volume, which are resulted from the rigid planar moiety. FOPPI also shows outstanding thermal stability and mechanical properties with a glass transition temperature up to 420 °C, 5% loss temperature of 607 °C, coefficient of thermal expansion of 1.28 ppm K^?1, and tensile strength of 150.8 MPa. The polyimide has an attractive potential application prospect in the flexible electronics encapsulation area. © 2017 Wiley Periodicals, Inc. J. Polym. Sci., Part A: Polym. Chem. 2017 , 55 , 2373–2382     

Lower bound for the ratios of eigenvalues of Schrödinger with nonpositive single‐barrier potentials

Horváth and Kiss (Proc. Amer. Math. Soc., 2005) proved the upper bound estimate for Dirichlet eigenvalue ratios of the Schrödinger problem ?y^′′ + q(x)y = λy with nonnegative and single‐well potential q. In this paper, we prove that if q(x) is a nonpositive, continuous, and single‐barrier potential, then for λ_n > λ_m≥ ? 2q^?, where . In particular, if q(x) satisfies the additional condition , then λ₁ > 0 and for n > m ≥ 1. For this result, we develop a new approach to study the monotonicity of the modified Prüfer angle function.     

Determining the permeability of organic solvents through PVC pipes using a direct SPME model

The permeability of aromatic hydrocarbons, i.e. BTEX and styrene, through PVC pipes was investigated using a 6-cm pipe-bottle model with direct solid-phase microextraction (SPME) sampling. It was found that an aromatic hydrocarbon with a large molecular size or low polarity may be less permeable through PVC pipes. In addition, the diffusion coefficients of BTEX and styrene in PVC pipes ranged from 4.87 to 7.64 × 10⁻⁸ cm²/s. According to the simulation results of a one-dimensional diffusion model, it is speculated that diffusion transport of benzene and toluene in PVC pipes may have non-Fickian behavior. The advantage of using the innovated test model is that SPME provides a nondestructive analytical means to monitor the concentrations of organic compounds in pipe-water. Therefore, the pipe-bottle model developed herein has potential applications in determining the resistance of polymeric pipes to permeation by solvents in the aqueous solution.     

Chemoselective Hydrogenation of 6-Alkynyl-3-fluoro-2-pyridinaldoximes: Access to First-in-Class 6-Alkyl-3-Fluoro-2-pyridinaldoxime Scaffolds as New Reactivators of Sarin-Inhibited Human Acetylcholinesterase with Increased Blood–Brain Barrier Permeability

Novel 6-alkyl- and 6-alkenyl-3-fluoro-2-pyridinaldoximes have been synthesised by using a mild and efficient chemoselective hydrogenation of 6-alkynyl-3-fluoro-2-pyridinaldoxime scaffolds, without altering the reducible, unprotected, sensitive oxime functionality and the C−F bond. These novel 6-alkyl-3-fluoro-2-pyridinaldoximes may find medicinal application as antidotes to organophosphate poisoning. Indeed, one low-molecular-weight compound exhibited increased affinity for sarin-inhibited acetylcholinesterase (hAChE) and greater reactivation efficiency or resurrection for sarin-inhibited hAChE, compared with those of 2-pyridinaldoxime (2-PAM) and 1-({[4-(aminocarbonyl)pyridinio]methoxy}methyl)-2-[(hydroxyimino)methyl]pyridinium chloride (HI-6), two pyridinium salts currently used as antidote by several countries. In addition, the uncharged 3-fluorinated bifunctional hybrid showed increased in vitro blood–brain barrier permeability compared with those of 2-PAM, HI-6 and obidoxime. These promising features of novel low-molecular-weight alkylfluoropyridinaldoxime open up a new era for the design, synthesis and discovery of central non-quaternary broad spectrum reactivators for organophosphate-inhibited cholinesterases.     

Electronic transmission and dwell time on a double barrier system with an accelerating quantum well

Resonant tunneling quantum structures consist of asymmetric wells and barriers have been investigated to find their optimized geometrical parameters and potential profile by the numerical calculations. The results show that the widths and the depths of the asymmetric wells have a significant effect on the transmission coefficient and the dwell time. The properties exhibited in this work may establish guidance to the device applications.     

Macrokinetic study on ozone boundary concentration. Effect of temperature

The process of ozone production in pure oxygen using the tubular, high voltage pulse supplied ozonizer was studied. The unusual methodology of conducting kinetics measurements of the ozone synthesis process was presented. It was shown how the process rate changes along the discharge gap. The effect of power density and gas residence time in the discharge gap on the process rate was analysed. The temperature influence on the course of the process, particularly on the ozone boundary concentration and ozone decomposition rate constant, was discussed.