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71.
A novel nitration of phenols is described on 2-(3-hydroxy-4-methoxyphenyl)ethyl nitrate (2), which is synthesized by three alternative routes. 相似文献
72.
73.
Manon Catherin Olatz Uranga-Barandiaran Arnaud Brosseau Dr. Rémi Métivier Dr. Gabriel Canard Dr. Anthony D'Aléo Dr. David Casanova Prof. Frédéric Castet Dr. Elena Zaborova Prof. Frédéric Fages 《Chemistry (Weinheim an der Bergstrasse, Germany)》2020,26(17):3818-3828
We describe the synthesis of a series of covalently linked dimers of quadrupolar curcuminoid-BF2 dyes and the detailed investigation of their solvent-dependent spectroscopic and photophysical properties. In solvents of low polarity, intramolecular folding induces the formation of aggregated chromophores, the UV/Vis absorption spectra of which display the optical signature characteristic of weakly-coupled H-aggregates. The extent of folding and, in turn, of ground-state aggregation is strongly dependent on the nature of the flexible linker. Steady-state and time-resolved fluorescence emission spectroscopies show that the Frenkel exciton relaxes into a fluorescent symmetrical excimer state with a long lifetime. Furthermore, our in-depth studies show that a weakly emitting excimer lies on the pathway toward a photocyclomer. Two-dimensional 1H NMR spectroscopy and density functional theory (DFT) allowed the structure of the photoproduct to be established. To our knowledge, this represents the first example of a [2π+2π] photodimerization of the curcuminoid chromophore. 相似文献
74.
A detailed chemical kinetic model has been developed for supercritical water oxidation (SCWO) of methylamine, CH3NH2, providing insight into the intermediates and final products formed in this process as well as the dominant reaction pathways. The model was adapted from previous mechanisms, with a revision of the peroxyl radical chemistry to include imine formation, which has recently been identified as the dominant gas-phase pathway in amine oxidation. The developed model can reproduce previous experimental data on methylamine consumption and major product formation to reasonable accuracy, although with deficiencies in describing the induction time. Our simulations indicate that oxidation of the •CH2NH2 radical to methanimine, CH2NH, is the major channel in methylamine SCWO, with subsequent hydrolysis of CH2NH providing the experimentally observed reaction products ammonia and formaldehyde. Integral-averaged reaction rates were used to identify major reaction pathways, and a first-order sensitivity analysis indicated that the concentration of CH3NH2 is most sensitive to OH radical kinetics. Overall, this work clarifies the importance of imine chemistry in the oxidation of nitrogen-containing compounds and indicates that they are necessary to model these compounds in SCWO processes. 相似文献
75.
Nadia Lahrichi Teodor Gabriel Crainic Michel Gendreau Walter Rei Louis-Martin Rousseau 《The Journal of the Operational Research Society》2015,66(1):44-56
The dairy transportation problem (DTP) consists of determining the best routes to be performed for collecting milk from farms and delivering it to processing plants. We study the particular case of the province of Quebec, where the Fédération des producteurs de lait du Québec is responsible for negotiating the transportation costs on behalf of producers. Several issues are highlighted in the actual process of designing contracts such as using historical data. We propose an approach based on scenario analysis that consists of revising both the steps and the information used to construct the routes. We develop a generalized tabu search algorithm that integrates the different characteristics of the DTP. 相似文献
76.
Ionela Carazeanu Popovici Gabriel Prodan 《Journal of Sol-Gel Science and Technology》2012,63(3):457-462
Fresnoite (Ba2TiSi2O8, BTS) nano-particles were successfully synthesized at a low temperature of 900?°C by a modified Pechini sol?Cgel process with starting materials of Ba(NO3)2, Si(OC2H5)4 and Ti(OC3H7)4. The structural characterization of the precursors and derived synthesized oxide powders is done by X-ray diffraction (XRD), Fourier transform infrared spectroscopy (FTIR), thermal analysis (TG-DTG) and electron microscopy (SEM, EDX and TEM) studies. The effect of heat-treating temperature on the crystallinity of the fresnoite was investigated. Combined the XRD data and the strong FTIR peaks assigned to Ti?CO and Si?CO vibration, indicate the formation of fresnoite phase at a temperature of 900?°C. Also the nano-crystals size distribution was studied and the main diameter of nanoparticles was about 47?nm. 相似文献
77.
Roberto Andreani Gabriel Haeser María Laura Schuverdt Paulo J. S. Silva 《Mathematical Programming》2012,135(1-2):255-273
In this work we introduce a relaxed version of the constant positive linear dependence constraint qualification (CPLD) that we call RCPLD. This development is inspired by a recent generalization of the constant rank constraint qualification by Minchenko and Stakhovski that was called RCRCQ. We show that RCPLD is enough to ensure the convergence of an augmented Lagrangian algorithm and that it asserts the validity of an error bound. We also provide proofs and counter-examples that show the relations of RCRCQ and RCPLD with other known constraint qualifications. In particular, RCPLD is strictly weaker than CPLD and RCRCQ, while still stronger than Abadie’s constraint qualification. We also verify that the second order necessary optimality condition holds under RCRCQ. 相似文献
78.
Barbora Benešová Martin Kružík Gabriel Pathó 《Continuum Mechanics and Thermodynamics》2014,26(5):683-713
We design a new mesoscopic thin-film model for shape-memory materials which takes into account thermomechanical effects. Starting from a microscopic thermodynamical bulk model, we guide the reader through a suitable dimension reduction procedure followed by a scale transition valid for specimen large in area up to a limiting model which describes microstructure by means of parametrized measures. All our models obey the second law of thermodynamics and possess suitable weak solutions. This is shown for the resulting thin-film models by making the procedure described above mathematically rigorous. The main emphasis is, thus, put on modeling and mathematical treatment of joint interactions of mechanical and thermal effects accompanying phase transitions and on reduction in specimen dimensions and transition of material scales. 相似文献
79.
80.
Dorin Ervin Dutkay Gabriel Picioroaga Myung-Sin Song 《Journal of Mathematical Analysis and Applications》2014
We show how some orthonormal bases can be generated by representations of the Cuntz algebra; these include Fourier bases on fractal measures, generalized Walsh bases on the unit interval and piecewise exponential bases on the middle third Cantor set. 相似文献