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21.
22.
Abdeslam El Assyry Bouziane Benali Abdelkhalek Boucetta Denise Mondieig 《Research on Chemical Intermediates》2014,40(3):1043-1052
In this study, heat energy, atomic charges and dipole moments permit qualitative predictions about the substituent effects by a chlorine or methyl group on the benzodiazepine properties in the ground state. AM1 and MNDO semi-empirical methods of calculation are used to obtain information on the structural and energy properties for some benzodiazepine derivatives. 相似文献
23.
Hakim Madani Alain Valtz Christophe Coquelet Abdeslam Hassen Meniai Dominique Richon 《The Journal of chemical thermodynamics》2008,40(10):1490-1494
Accurate thermo-physical data are of utmost interest for the development of new efficient refrigeration systems. Carbon dioxide (R744) and 1,1-difluoroethane (R152a) are addressed here. Isothermal (vapor + liquid) equilibrium data are reported herein for (R744 + R152a) binary system in the (258–343) K temperature range and in the (0.14 to 7.65) MPa pressure range. A reliable “static-analytic” method taking advantage of two online ROLSI? micro capillary samplers is used for all thermodynamic measurements. The data are correlated using our in-house ThermoSoft thermodynamic model using the Peng–Robinson equation of state, the Mathias–Copeman alpha function, the Wong–Sandler mixing rules, and the NRTL model. 相似文献
24.
A. Triki J. Dittmer Med Ben Hassen M. Arous A. Bulou Med Gargouri 《Polymer Science Series A》2016,58(2):255-264
Alfa’s fibres surfaces were modified chemically by the presence of wool and [poly(ester terephthalate) (PET)–polyethylene (PE)] thermo-binder fibres. Indeed, vibrational analyses based on Fourier transform infrared spectroscopy and Raman measurements have confirmed the existence of chemical interactions between these fibres. These analyses have shown that the hydrophilic character of Alfa fibres could be decreased either by hydrogen bonds between water molecules and wool fibres or by the crystallinity of PET constituents in PET-PE thermo-binder fibres which might confer its hydrophobic character to Alfa’s fibres surfaces. As a result, the compatibility between the Alfa fibres and the unsaturated polyester matrix was enhanced, which allowed adhesion mechanism based on chemical bonds formed by secondary bonding. Such adhesion mechanism was also proven by the 13C Cross-Polarization Magic Angle Spinning Nuclear Magnetic Resonance spectroscopy results. 相似文献
25.
Raouf Zehioua Christophe Coquelet Chien-Bin Soo Dominique Richon Abdeslam-Hassen Meniai 《Thermochimica Acta》2009,495(1-2):72-80
In this work, the measured excess molar enthalpies of absorption heat pump working pairs (refrigerant + absorbent), viz. water + mono-, di- and tri-ethylene glycol, water + glycerol, and ethanol + di- and tri-ethylene glycol mixtures are presented at 298.15 K and ambient pressure using a Setaram Calvet C80 calorimeter. The experimental results are represented and correlated by a Redlich–Kister type equation. Modeling of the excess enthalpies has been performed using the UNIFAC molecular group-contribution method, and UNIQUAC Gibbs energy model. In addition, the data and results are used to predict the Gibbs energy of all binary systems. This allows a preliminary evaluation of the suitability of the binary systems as heat pump working pairs. 相似文献
26.
Hassen Dakhlaoui 《中国物理 B》2014,(9):398-402
In this paper, we theoretically study the effects of doping concentration NDand an external electric field on the intersubband transitions in InxAl(1-x)N/InyGa(1-y)N single quantum well by solving the Schr¨odinger and Poisson equations self-consistently. Obtained results including transition energies, the band structure, and the optical absorption have been discussed. The lowest three intersubband transitions(E2- E1),(E3- E1), and(E3- E2) are calculated as functions of doping concentration ND. By increasing the doping concentration ND, the depletion effect can be reduced, and the ionized electrons will compensate the internal electric field which results from the spontaneous polarization. Our results show that an optimum concentration NDexists for which the transition 0.8 eV(1.55 μm) is carried out. Finally, the dependence of the optical absorption α13(ω) on the external electric field and doping concentration is studied. The maximum of the optical absorption can be red-shifted or blue-shifted through varying the doping concentration and the external electric field. The obtained results can be used for designing optical fiber telecommunications operating at 1.55 μm. 相似文献
27.
Hassen Dakhlaoui 《中国物理 B》2014,(9):394-398
In this paper, we theoretically study the effects of doping concentration ND and an external electric field on the intersubband transitions in InxAl(l-x)N/InyGa(l-y)N single quantum well by solving the Schrodinger and Poisson equations self-consistently. Obtained results including transition energies, the band structure, and the optical absorption have been discussed. The lowest three intersubband transitions (E2 -El), (E3 -El), and (E3 -E2) are calculated as functions of doping concentration ND. By increasing the doping concentration ND, the depletion effect can be reduced, and the ionized electrons will compensate the internal electric field which results from the spontaneous polarization. Our results show that an optimum concentration ND exists for which the transition 0.8 eV (1.55 μm) is carried out. Finally, the dependence of the optical absorption α13(ω) on the external electric field and doping concentration is studied. The maximum of the optical absorption can be red-shifted or blue-shifted through varying the doping concentration and the external electric field. The obtained results can be used for designing optical fiber telecommunications operating at 1.55 μm. 相似文献
28.
Theberge AB Mayot E El Harrak A Kleinschmidt F Huck WT Griffiths AD 《Lab on a chip》2012,12(7):1320-1326
This paper presents a droplet-based microfluidic platform for miniaturized combinatorial synthesis. As a proof of concept, a library of small molecules for early stage drug screening was produced. We present an efficient strategy for producing a 7 × 3 library of potential thrombin inhibitors that can be utilized for other combinatorial synthesis applications. Picolitre droplets containing the first type of reagent (reagents A(1), A(2), …, A(m)) were formed individually in identical microfluidic chips and then stored off chip with the aid of stabilizing surfactants. These droplets were then mixed to form a library of droplets containing reagents A(1-m), each individually compartmentalized, which was reinjected into a second microfluidic chip and combinatorially fused with picolitre droplets containing the second reagent (reagents B(1), B(2), …, B(n)) that were formed on chip. The concept was demonstrated with a three-component Ugi-type reaction involving an amine (reagents A(1-3)), an aldehyde (reagents B(1-7)), and an isocyanide (held constant), to synthesize a library of small molecules with potential thrombin inhibitory activity. Our technique produced 10(6) droplets of each reaction at a rate of 2.3 kHz. Each droplet had a reaction volume of 3.1 pL, at least six orders of magnitude lower than conventional techniques. The droplets can then be divided into aliquots for different downstream screening applications. In addition to medicinal chemistry applications, this combinatorial droplet-based approach holds great potential for other applications that involve sampling large areas of chemical parameter space with minimal reagent consumption; such an approach could be beneficial when optimizing reaction conditions or performing combinatorial reactions aimed at producing novel materials. 相似文献
29.
In 2011, Berinde and Borcut [6] introduced the notion of tripled fixed point in partially ordered metric spaces. In our paper, we give some new tripled fixed point theorems by using a generalization of Meir-Keeler contraction. 相似文献
30.
B. Azeza M. Ezzedini Z. Zaaboub R. M’ghaieth L. Sfaxi F. Hassen H. Maaref 《Current Applied Physics》2012,12(5):1256-1258
The electronic and the structural properties of n-GaAs layers grown on rough surface of silicon substrate by molecular beam epitaxy (MBE) has been investigated by photoluminescence (PL), time resolved photoluminescence (TRPL) and high resolution X-ray diffraction (HRXRD). The relationship between electronic and structural properties of the n-GaAs layer was checked, showing that the defect density is a strong cause for trapping the minority carriers. The impact of introducing intermediate rough silicon layer between silicon substrate and n-GaAs layer on the electronic properties was observed, showing that the structure grown on rough Si involves higher lifetime than those developed on flat silicon substrate. Such structure could be used for economic solar cells fabrication. 相似文献