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Pedro A. Fernandes Elsa S. Henriques Vineet Pande Maria. J. Ramos Ana R. R. Maia André A. S. Almeida Bruno F. B. Silva Carla M. S. Ribeiro César F. B. Ribeiro David S. M. Ribeiro Diana A. P. Fonseca Eva M. S. Cunha Filipe R. N. C. Maia Joana A. A. Pereira João P. G. Pacheco Joaquim A. A. D. Ferreira Liliana R. C. Matos Manuel A. B. P. Pinto Maria C. S. Borges Paulo J. C. R. Magalhães Pedro F. R. D. Teixeira Pedro N. B. C. Veloso Ricarte J. F. Ferreira Sandro S. Gomes Tiago F. Barros Tiago S. J. T. Selão Virgínia M. M. C. Fernandes 《Theoretical chemistry accounts》2005,113(4):197-204
We present a series of new inhibitors of the association between nuclear factor kappa B (NF-kappa" align="BASELINE" BORDER="0">B) and the corresponding kappa" align="BASELINE" BORDER="0">B site in DNA. They were designed using the lead compound 15-deoxy-12,14 -prostaglandin J2 (PGJ2), which is a natural product with demonstrated inhibitory efficiency for this system. First, the binding mode of PGJ2 to NF-kappa" align="BASELINE" BORDER="0">B was unraveled by GOLD docking calculation. Subsequently, substitutions were made to PGJ2 to optimize its association with NF-kappa" align="BASELINE" BORDER="0">B. Care was taken not to strongly increase the reactivity of the new compounds, and to keep the overall shape, size and hydrophilicity of the lead compound, which should render them a similar bioavailability. Molecular mechanics calculations were performed to decide on the suitability of the substitutions, and to evaluate the energies of association with NF-kappa" align="BASELINE" BORDER="0">B. Density functional theory calculations were performed also to study the overall reactivity of the substituted drugs towards NF-kappa" align="BASELINE" BORDER="0">B. Important general conclusions were obtained, concerning the improvement of these natural inhibitors; namely, a set of rational methodologies were deduced to improve the association between the PGJ2 derivatives and NF-kappa" align="BASELINE" BORDER="0">B, and their efficiency demonstrated by generating a set of substituted complexes, some of them with a very much increased affinity for NF-kappa" align="BASELINE" BORDER="0">B, opening new doors to enlarge the therapeutic capabilities of this class of drugs. 相似文献
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By using the generalized Boltzmann equation of transport and the first-order approximation of Chapman-Enskog expansion on the κ-distribution function, we study the thermal conductivity and Dufour effect in the weakly ionized and magnetized plasma. We show that the thermal conductivity and Dufour coefficient in the κ-distributed plasma are significantly different from those in the Maxwell-distributed plasma, and the transverse thermal conductivity and Dufour coefficient in the κ-distributed plasma are generally greater than those in the Maxwell-distributed plasma, and the Righi-Leduc coefficient and Hall Dufour coefficient in the κ-distributed plasma are also generally greater than those in the Maxwell-distributed plasma. 相似文献
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The purpose of this paper is to study coproducts in the category Mkappa" align="BASELINE" BORDER="0">Frm (resp. Mckappa" align="BASELINE" BORDER="0">Frm), of metric kappa" align="BASELINE" BORDER="0">-frames and uniform (resp. contractive) kappa" align="BASELINE" BORDER="0">-frame maps. First, by applying the same technic that was used to find coproducts in Frm, we construct coproducts in the category kappa" align="BASELINE" BORDER="0">Frm of kappa" align="BASELINE" BORDER="0">-frames and kappa" align="BASELINE" BORDER="0">-frame maps. Then, we define a metric diameter on the coproduct in kappa" align="BASELINE" BORDER="0">Frm of a family of metric kappa" align="BASELINE" BORDER="0">-frames and show that coproduct in kappa" align="BASELINE" BORDER="0">Frm preserves metrizability.Mathematics Subject Classifications (2000) 06B23, 06D22, 18A30. 相似文献
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Sehie PARK 《数学学报(英文版)》2007,23(8):1509-1526
Let B be the class of 'better' admissible multimaps due to the author. We introduce new concepts of admissibility (in the sense of Klee) and of Klee approximability for subsets of G-convex uniform spaces and show that any compact closed multimap in B from a G-convex space into itself with the Klee approximable range has a fixed point. This new theorem contains a large number of known results on topological vector spaces or on various subclasses of the class of admissible G-convex spaces. Such subclasses are those of O-spaces, sets of the Zima-Hadzic type, locally G-convex spaces, and LG-spaces. Mutual relations among those subclasses and some related results are added. 相似文献
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研究无磁化、无碰撞、各向同性相对论修正的kappa分布等离体横振荡的色散关系,得到长波和短波近似下色散关系的解析表达式。利用数值计算,得到完整的色散曲线。结果表明:在满足长波支和短波支条件时,解析色散曲线与数值色散曲线完全吻合;色散关系不但依赖于等离子体的温度,而且 相似文献
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The properties of ion acoustic double layer (IADL) structures in bi-ion plasma with electron trapping are investigated by using the quasi-potential analysis. The κ-distributed trapped electrons number density expression is truncated to some finite order of the electrostatic potential. By utilizing the reductive perturbation method, a modified Schamel equation which describes the evolution of the slow electron acoustic double layer (SEADL) with the modified speed due to the presence of bi-ion species is investigated. The Sagdeev-like potential has been derived which accounts for the effect of the electron trapping and superthermality in a bi-ion plasma. It is found that the superthermality index, the trapping efficiency of electrons, and ion to electron temperature ratio are the inhibiting parameters for the amplitude of the slow electron acoustic double layers (SEADLs). However, the enhanced population of the cold ions is found to play a supportive role for the low frequency DLs in bi-ion plasmas. The illustrations have been presented with the help of the bi-ion plasma parameters in the Earth's ionosphere F-region. 相似文献