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131.
Some new heterocyclic compounds containing isoxazole, pyrazole and oxadiazole ring systems were prepared from various chalcones. The synthesized compounds have been characterized by elemental analysis and spectral methods. These compounds were screened for their antimicrobial activities. 相似文献
132.
Vérot M Rota JB Kepenekian M Le Guennic B Robert V 《Physical chemistry chemical physics : PCCP》2011,13(14):6657-6661
The chemical control of magnetic and conduction properties for organic radicals is mainly based on t, the resonance integral, and U, the on-site repulsion, used in the Hubbard model. A qualitative analysis based on the competition between the kinetic and the Coulomb contribution, and the expression of the magnetic exchange coupling suggests that U should be roughly 800 cm(-1) while the resonance integral |t| should be 200 cm(-1) to reach bifunctionality. Ab initio wavefunction-based calculations allowed us to quantitatively measure those quantities for several organic materials considered as 1D systems starting from their reported crystal structures. The extraction of t and U parameters from the exchange coupling constants between neighbouring radicals allowed us to anticipate a possible metallic behaviour. Finally, the impact of chemical changes in the constitutive units is measured to rationalize the macroscopic behaviour modifications. It is shown that the intriguing regime characterized by simultaneous itinerant and localized electrons might be achieved by molecular engineering. 相似文献
133.
We call the digraph D an k-colored digraph if the arcs of D are colored with k colors. A subdigraph H of D is called monochromatic if all of its arcs are colored alike. A set N⊆V(D) is said to be a kernel by monochromatic paths if it satisfies the following two conditions: (i) for every pair of different vertices u,v∈N, there is no monochromatic directed path between them, and (ii) for every vertex x∈(V(D)?N), there is a vertex y∈N such that there is an xy-monochromatic directed path. In this paper, we prove that if D is an k-colored digraph that can be partitioned into two vertex-disjoint transitive tournaments such that every directed cycle of length 3,4 or 5 is monochromatic, then D has a kernel by monochromatic paths. This result gives a positive answer (for this family of digraphs) of the following question, which has motivated many results in monochromatic kernel theory: Is there a natural numberlsuch that if a digraphDisk-colored so that every directed cycle of length at mostlis monochromatic, thenDhas a kernel by monochromatic paths? 相似文献
134.
Lattice dynamics and electron-phonon coupling are calculated for non-magnetic hcp iron at 100 GPa by a first-principles linear response full-potential LMTO method. Superconducting transition temperature is estimated to be less than 0.5 K. For ferromagnetic bcc iron lattice dynamical calculations are performed for 9.8 GPa as well as for ambient pressure. The results of calculation reproduce well the pressure dependence of phonon dispersion curves observed by neutron scattering measurements. 相似文献
135.
Ezzat Hany G. Bayoumi Ashraf H. Sherbiny Farag F. El-Morsy Ahmed M. Ghiaty Adel Alswah Mohamed Abulkhair Hamada S. 《Molecular diversity》2021,25(1):291-306
Molecular Diversity - Many shreds of evidence have recently correlated A2B receptor antagonism with anticancer activity. Hence, the search for an efficient A2B antagonist may help in the... 相似文献
136.
AbdElAziz A. Nayl Hamada Mohamed Ibrahim Kamal M. Dawood Wael A. A. Arafa Ahmed I. Abd-Elhamid Ismail M. Ahmed Mohamed A. Abdelgawad Hazim M. Ali Ibrahim Hotan Alsohaimi Ashraf A. Aly Stefan Brse Asmaa Kamal Mourad 《Molecules (Basel, Switzerland)》2022,27(19)
An appropriate and efficient Q-tube-assisted ammonium acetate-mediated protocol for the assembly of the hitherto unreported 5-arylazopyrazolo[3,4-b]pyridines was demonstrated. This methodology comprises the cyclocondensation reaction of 5-amino-2-phenyl-4H-pyrazol-3-one with an assortment of arylhydrazonals in an NH4OAc/AcOH buffer solution operating a Q-tube reactor. This versatile protocol exhibited several outstanding merits: easy work-up, mild conditions, scalability, broad substrate scope, safety (the Q-tube kit is simply for pressing and sealing), and a high atom economy. Consequently, performing such reactions under elevated pressures and utilizing the Q-tube reactor seemed preferable for achieving the required products in comparison to the conventional conditions. Diverse spectroscopic methods and X-ray single-crystal techniques were applied to confirm the proposed structure of the targeted compounds. 相似文献
137.
Michiko Kodama Mika Kuwabara SyÛZÔ Seki 《Molecular Crystals and Liquid Crystals》2013,570(9-10):277-282
Differential scanning calorimetry on the two-component system of dioctadecyldimethylammonium chloride (DOAC)–water was carried out in the temperature region from 80 °C down to -100 °C. As the result, a new type of glassy state was found around at -40 °C for the supercooled complete gel phase. 相似文献
138.
Homogeneous structures AxBy with identical A–A or B–B self‐coordination numbers T1, T2, T3, of nearest, next‐nearest and third neighbors are selected. The maximum Ti values are 2 2 2 (1D row), 6 6 6 (2D hexagonal net) and 12 6 24 (3D cubic close‐packing). Reduced T1 or T2 values for AxBy can be related with attractive or repulsive A–A (or B–B) interactions. A single set of T1 T2 T3; y/x values was obtained for y/x = 1–4 and 6. The y/x = 2 structures of three equivalent positions A, B and C are unfavourable for A = ⊕ and B = ⊖ charge or direction of magnetic moments. The spatial distribution of positive and negative potential near A+ and B− positions gives rise to neutral C positions. Frustrated magnetic moments at C positions are disordered. (© 2003 WILEY‐VCH Verlag GmbH & Co. KGaA, Weinheim) 相似文献
139.
140.
Yoshihiko Kondo Ken Endo Nobuhiko Iki Sotaro Miyano Fumio Hamada 《Journal of inclusion phenomena and macrocyclic chemistry》2005,52(1-2):45-49
Even though it was obtained in poor yield, p-tert-butylthiacalix[8]arene (TC8A) has been synthesized as a new member of thiacalix[n]arenes by the terephthalate-induced cyclization of a mixture of acyclic oligomers, which was obtained by the reaction between p-tert-butylphenol and sulfur with CaO in ethylene glycol/diphenyl ether system. Slow evaporation of the chloroform solution of TC8A afforded guest-free crystals consisting of TC8A itself. The close-packed crystal structure of TC8A resembles that of p-tert-butylcalix[8]arene (C8A) closely, containing a plated loop molecular structure.This revised version was published online in July 2005 with a corrected issue number. 相似文献