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61.
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. 相似文献
62.
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. 相似文献
63.
ABSTRACTNewton 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. 相似文献
64.
Synthesis and characterization of intrinsic high‐barrier polyimide derived from a novel diamine monomer containing rigid planar moiety
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Yi‐Wu Liu Jie Huang Jing‐Hua Tan Yi Zeng Qian Ding Xian‐Wei Xiang Yue‐Jun Liu Hai‐liang Zhang 《Journal of polymer science. Part A, Polymer chemistry》2017,55(14):2373-2382
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 相似文献
65.
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 λn > λm≥ ? 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. 相似文献
66.
Dr. Jagadeesh Yerri Dr. José Dias Dr. Mallikajurna Reddy Nimmakayala Franck Razafindrainibe Charlotte Courageux Anne-Julie Gastellier Johanne Jegoux Dr. Caroline Coisne Dr. Christophe Landry Dr. Fabien Gosselet Johan Hachani Dr. Jean-François Goossens Prof. Marie-Pierre Dehouck Dr. Florian Nachon Dr. Rachid Baati 《Chemistry (Weinheim an der Bergstrasse, Germany)》2020,26(65):15035-15044
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. 相似文献
67.
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. 相似文献
68.
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. 相似文献
69.
70.
Herbert Hommer Gabriel Cuevas Barbara Gordillo 《Phosphorus, sulfur, and silicon and the related elements》2013,188(10):2421-2437
By following a previously reported method,1 the synthesis of r-2-alkoxy-cis-4-cis-5-dimethyl-1,3,2-λ3-dioxaphospholanes ligands (1 and 3) was carried out. The purpose of this work is the kinetic study of the inversion barrier at phosphorus for 1 and 3 and the comparison with the already informed dioxaphospholane 2. The kinetic measurements of the thermal isomerization cis-to-trans were performed by 31P NMR spectroscopy, observing a first order kinetics for both compounds. The energy of activation (Ea) for the epimerization of compounds cis-1 and cis-3 was calculated to be 16.0 ± 0.6 and 11.8 ± 0.8 kcal/mol, respectively. The values of the thermodynamic parameters of the transition state (Δ H≠, Δ S≠, Δ G≠) suggest that the inversion at phosphorus not only depends on the spatial requirements of the alkoxy substituent but also on entropic effects. The thermodynamic parameters Δ H°, Δ S°, and Δ G° were also evaluated and they show that the cis isomers are preferred from enthalpic point of view, but entropic effects dominate the equilibrium trans ? cis leading to the entropically favored trans isomers. Furthermore, the results are supported by density functional theory calculations of 1–4 at the B3LYP/6-31G** level. 相似文献