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101.
Ergodic dynamics in a natural threshold system 总被引:1,自引:0,他引:1
Numerical simulations suggest that certain driven, dissipative mean-field threshold systems, including earthquake models, can be characterized by statistical properties often associated with ergodic dynamics, in the same sense as stochastic Brownian motion. We applied a fluctuation metric proposed by Thirumalai and Mountain [Phys. Rev. E 47, 479 (1993)]] for statistically stationary systems and find that the natural earthquake fault system in California demonstrates similar ergodic dynamics. 相似文献
102.
Duarte MF Martins F Fernandez MT Langley GJ Rodrigues P Barros MT Costa ML 《Rapid communications in mass spectrometry : RCM》2003,17(9):957-962
A series of derivatives of 2-azidoacetic acid and 2-azidoacetone were synthesized and their behaviour under electron ionization conditions was investigated. This paper reports the electron ionization fragmentation mechanisms for five aliphatic alpha-carbonyl azides, which were clarified by accurate mass measurements and B/E linked scans. The substituent influences the abundance and the nature of the ions resulting from the molecular ion fragmentation. 相似文献
103.
Rundle PB Rundle JB Tiampo KF Martins JS McGinnis S Klein W 《Physical review letters》2001,87(14):148501
Earthquake faults occur in interacting networks having emergent space-time modes of behavior not displayed by isolated faults. Using simulations of the major faults in southern California, we find that the physics depends on the elastic interactions among the faults defined by network topology, as well as on the nonlinear physics of stress dissipation arising from friction on the faults. Our results have broad applications to other leaky threshold systems such as integrate-and-fire neural networks. 相似文献
104.
We establish exact results for coupled spin-1/2 chains for special values of the four-spin interaction V and dimerization parameter delta. The first exact result is at delta = 1/2 and V = -2. Because we find a very small but finite gap in this dimerized chain, this can serve as a very strong test case for numerical and approximate analytical techniques. The second result is for the homogeneous chain with V = -4 and gives evidence that the system has a spontaneously dimerized ground state. Numerical diagonalization and bosonization techniques indicate that the interplay between dimerization and interaction could result in gapless phases in the regime 0=V<-2. 相似文献
105.
We propose a computational method that takes into account the dynamical influence of moving rigid walls over the pattern formation for thin films of diblock copolymers. The competition between the surface field energy and elastic stretching energy, and the effects of the molecular relaxation on pattern formation are studied. Finally, it is also observed that stretching the film enhances the ordering of patterns in it. 相似文献
106.
Rosa IL Filho PC Neri CR Serra OA de Figueiredo AT Varela JA Longo E 《Journal of fluorescence》2011,21(4):1575-1583
This work reports on the synthesis and characterization of a new complex of Eu3+ with the 3-hydroxypicolinamide ligand (Hhpa). Here we present an approach for obtaining bis[2-carbamoyl(κO)pyridin-3-olato(κO’)]
lanthanide complexes, which were characterized through elemental analysis, thermal analysis, infrared and photoluminescence
spectroscopies (emission, excitation, luminescence lifetimes, quantum efficiencies, Judd-Ofelt parameters and quantum yields).
Although hpa can act as a bidentate ligand in different conformations, the results attest for the occurrence of a unique coordination
site of low symmetry for the Eu3+ ions, in which two anionic hpa ligands coordinate the cations through an O/O chelating system. The phosphorescence of the
synthesized gadolinium complex provides the energy of the triplet state, which is determined to be at 20,830 cm-1 over the ground state. This makes the Hhpa ligand very adequate for sensitizing the Eu3+ luminescence, which leads to a very efficient antenna effect and opens a wide range of applications for the complex in light
emitting organic-inorganic devices. 相似文献
107.
Rodrigo S. Corrêa Felipe T. Martins Javier Ellena Marcelo H. dos Santos Antonio C. Doriguetto 《Acta Crystallographica. Section C, Structural Chemistry》2008,64(7):o395-o397
The asymmetric unit of the title compound, C6H9N2OS2+·HSO4−·H2O, contains a heterocyclic cation, a hydrogen sulfate anion and a water molecule. There are strong hydrogen bonds between the hydrogen sulfate anions and water molecules, forming an infinite chain along the [010] direction, from which the cations are pendent. The steric, electronic and geometric features are compared with those of similar compounds. In this way, structural relationships are stated in terms of the influence of the sulfate group on the protonation of the heterocycle and on the tautomeric equilibrium in the solid state. 相似文献
108.
Carina R. Martins Lucas C. Ducati Cludio F. Tormena Roberto Rittner 《Spectrochimica acta. Part A, Molecular and biomolecular spectroscopy》2009,72(5):1089-1096
The conformational isomerism of 2-chlorocyclopentanone and 2-bromocyclopentanone has been determined through the solvent dependence of the 1H NMR 3JHH coupling constants, theoretical calculations and infrared data, using the solvation theory for the treatment of NMR data. In 2-chlorocyclopentanone, the energy difference (EΨ-e − EΨ-a), in the isolated molecule at B3LYP level of theory, between the pseudo-equatorial (Ψ-e) and pseudo-axial (Ψ-a) conformers is 0.42 kcal mol−1, which decreases in CCl4 and in acetonitrile solutions, in good agreement with infrared data (νCO), despite the uncertainties of the latter method. The conformational equilibrium for 2-bromocyclopentanone is also between the Ψ-e and Ψ-a conformations, with an energy difference (EΨ-e − EΨ-a), in the isolated molecule at B3LYP level of theory, is 0.85 kcal mol−1 which decreases in CCl4 and in acetonitrile solutions, also in good agreement with infrared data. 相似文献
109.
Pettinari C Marchetti F Lupidi G Quassinti L Bramucci M Petrelli D Vitali LA da Silva MF Martins LM Smoleński P Pombeiro AJ 《Inorganic chemistry》2011,50(21):11173-11183
Five new silver(I) complexes of formulas [Ag(Tpms)] (1), [Ag(Tpms)(PPh(3))] (2), [Ag(Tpms)(PCy(3))] (3), [Ag(PTA)][BF(4)] (4), and [Ag(Tpms)(PTA)] (5) {Tpms = tris(pyrazol-1-yl)methanesulfonate, PPh(3) = triphenylphosphane, PCy(3) = tricyclohexylphosphane, PTA = 1,3,5-triaza-7-phosphaadamantane} have been synthesized and fully characterized by elemental analyses, (1)H, (13)C, and (31)P NMR, electrospray ionization mass spectrometry (ESI-MS), and IR spectroscopic techniques. The single crystal X-ray diffraction study of 3 shows the Tpms ligand acting in the N(3)-facially coordinating mode, while in 2 and 5 a N(2)O-coordination is found, with the SO(3) group bonded to silver and a pendant free pyrazolyl ring. Features of the tilting in the coordinated pyrazolyl rings in these cases suggest that this inequivalence is related with the cone angles of the phosphanes. A detailed study of antimycobacterial and antiproliferative properties of all compounds has been carried out. They were screened for their in vitro antimicrobial activities against the standard strains Enterococcus faecalis (ATCC 29922), Staphylococcus aureus (ATCC 25923), Streptococcus pneumoniae (ATCC 49619), Streptococcus pyogenes (SF37), Streptococcus sanguinis (SK36), Streptococcus mutans (UA159), Escherichia coli (ATCC 25922), and the fungus Candida albicans (ATCC 24443). Complexes 1-5 have been found to display effective antimicrobial activity against the series of bacteria and fungi, and some of them are potential candidates for antiseptic or disinfectant drugs. Interaction of Ag complexes with deoxyribonucleic acid (DNA) has been studied by fluorescence spectroscopic techniques, using ethidium bromide (EB) as a fluorescence probe of DNA. The decrease in the fluorescence of DNA-EB system on addition of Ag complexes shows that the fluorescence quenching of DNA-EB complex occurs and compound 3 is particularly active. Complexes 1-5 exhibit pronounced antiproliferative activity against human malignant melanoma (A375) with an activity often higher than that of AgNO(3), which has been used as a control, following the same order of activity inhibition on DNA, i.e., 3 > 2 > 1 > 5 > AgNO(3)? 4. 相似文献
110.
Complexes of formula [(H2N2O2)TiCl2] and [(H2N2O2)Ti(OiPr)2] (H2N2O2H2 = HOPh’CH2NH(CH2)2NHCH2Ph’OH, where Ph’ = 2,4-(CMe2Ph)C6H2) were synthesized by the reaction of the salan ligand precursor H2N2O2H2 with TiCl4 and Ti(OiPr)4, respectively, in high yields. The dichlorido complex [(H2N2O2)TiCl2] revealed to be an efficient catalyst for the reduction of benzaldehyde in toluene. Full conversion was observed after 24 h at 55 °C in THF. The same catalyst also converted phenylacetaldehyde and hydrocinnamaldehyde into the corresponding alkanes quantitatively. 相似文献