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81.
Irene Brito M. F. A. da Silva Filipe C. Mena N. O. Santos 《General Relativity and Gravitation》2013,45(2):519-530
We investigate the matching, across cylindrical surfaces, of static cylindrically symmetric conformally flat spacetimes with a cosmological constant $\Lambda $ , satisfying regularity conditions at the axis, to an exterior Linet–Tian spacetime. We prove that for $\Lambda \le 0$ such matching is impossible. On the other hand, we show through simple examples that the matching is possible for $\Lambda >0$ . We suggest a physical argument that might explain these results. 相似文献
82.
G. Magela e Silva L. A. C. Malbouisson A. Naves de Brito J. D. M. Vianna 《Journal of mathematical chemistry》1993,13(1):317-330
Concepts of functional analysis, namely, regular points, tangent subspaces, constraint surfaces, Lagrangian matrix restricted to the tangent subspace of a constraint surface, are presented in connection with the Hartree-Fock (HF) problem. The energy functional in LCAO approximation is considered to be a polynomial function of several variables subject to subsidiary conditions. General HF equations and instability conditions for the unrestricted Hartree-Fock (UHF) solutions are derived from this standpoint. 相似文献
83.
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86.
Ercules E.S. Teotonio Hermi F. Brito Hans Viertler Wagner M. Faustino Oscar L. Malta Gilberto F. de S Maria Cludia F.C. Felinto Regina H.A. Santos Marco Cremona 《Polyhedron》2006,25(18):3488-3494
Europium complexes presenting general formulas [Eu(ACIND)3(H2O)2] and [Eu(ACIND)3(TPPO)2] have been synthesized and characterized. In these formulas ACIND is stands for the ligands 2-acetyl-1,3-indandionate (AIND), 2-isovaleryl-1,3-indandionate (ISOVIND) or 2-benzyl-1,3-indandionate (BIND). The [Eu(ISOVIND)3(H2O)(EtOH)] complex was also prepared and its structure determined by single crystal X-ray analysis, showing that this complex crystallize in a monoclinic space group P21/n with the water molecules bridging through the hydrogen bond. The Eu(III) ion is eight-coordinate in a bicapped trigonal prismatic geometry defined by the oxygen donor atoms with a site of symmetry close to C2ν. Isovaleryl groups in the ISOVIND molecules in the structure are disordered over two positions of the europium complex. Carbon atoms in ethanol molecule are disordered by the thermal vibration. Photoluminescence properties of these complexes in solid state were investigated both experimentally and theoretically, suggesting an efficient ligand-to-metal intramolecular energy transfer process. 相似文献
87.
Ivn Brito Aldo Mundaca Alejandro Crdenas Matías Lpez‐Rodríguez 《Acta Crystallographica. Section C, Structural Chemistry》2007,63(10):o606-o608
In the title disulfide, C12H8N6O2S2, all bond lengths and angles are within normal ranges, and the molecules are linked into centrosymmetric R22(20) dimers by simple C—H...N interactions. Weak intermolecular C—H...π(arene) and π–π interactions, involving the benzene CH groups and the benzene rings, and the pyridine rings, respectively, further stabilize and reinforce the crystal structure. 相似文献
88.
J. -C. Diels J. J. Fontaine J. C. McMichael C. Y. Wang A. Andreoni R. Cubeddu S. Cova A. Longoni W. Knox G. Mourou T. M. Nordlund C. H. Brito Cruz F. De Martini P. Mataloni E. Palange J. M. Catherall P. M. Radmore G. H. C. New A. Müller F. P. Schäler Zs. Bor B. Rácz D. Relser A. Laubereau B. Pouligny J. R. Lalanne B. Couilaud A. Ducasse C. Vaucamps D. Schubert J. Schwarz H. Wabnitz B. Wilhelmi 《Applied physics. B, Lasers and optics》1982,28(2-3):172-179
89.
Anne-Sylvie Fabiano David Allouche Yves-Henri Sanejouand Nicole Paillous 《Photochemistry and photobiology》1997,66(3):336-345
Abstract— A new water-soluble cationic pyropheophorbide was prepared from pyropheophorbide a by a Curtius rearrangement. The self-aggregation process of this chlorhydrate of aminopyropheophorbide was investigated from the changes observed in its spectroscopic properties when passing from ethanol to aqueous solutions. The formation of aggregates was characterized in the absorption spectrum by a broadening of the Qy band, which is slightly shifted to the red, a significant increase in signals of circular dichroism and a drastic quenching of the fluorescence intensity at 674 nm. Analysis of the nonlinear variation of the fluorescence intensity with the dye concentration in Tris-buffered solutions shows that dimerization is the dominant aggregation process. The dimerization equilibrium constant(at 25Ao C, pH 7.5 in 5 m M Tris buffer, 10 m M NaCl) was determined to be 3.106 M -l . NMR measurements performed in DMSO at various dye concentrations showed that only the chemical shifts of some atoms are affected by these changes, indicating the part of the ring involved in the overlap of the two molecules in the dimer.A molecular modeling study of the packing arrangement of the aminopyropheophorbide molecules in aggregates performed by both semi-empirical quantum chemical PM3 and force field MM2 methods provided a structure consistent with these spectroscopic data. 相似文献
90.
Thais Kroetz Pablo Andrei Nogara Fabiano da Silveira Santos Lilian Camargo da Luz Viktor Saraiva Cmara Joo Batista Teixeira da Rocha Alexandre Gonalves Dal-B Fabiano Severo Rodembusch 《Molecules (Basel, Switzerland)》2021,26(21)
In this study, the interactions of ESIPT fluorescent lipophile-based benzazoles with bovine serum albumin (BSA) were studied and their binding affinity was evaluated. In phosphate-buffered saline (PBS) solution these compounds produce absorption maxima in the UV region and a main fluorescence emission with a large Stokes shift in the blue–green regions due to a proton transfer process in the excited state. The interactions of the benzazoles with BSA were studied using UV-Vis absorption and steady-state fluorescence spectroscopy. The observed spectral quenching of BSA indicates that these compounds could bind to BSA through a strong binding affinity afforded by a static quenching mechanism (Kq~1012 L·mol−1·s−1). The docking simulations indicate that compounds 13 and 16 bind closely to Trp134 in domain I, adopting similar binding poses and interactions. On the other hand, compounds 12, 14, 15, and 17 were bound between domains I and III and did not directly interact with Trp134. 相似文献