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1.
Constants of Motion for Several One-Dimensional Systems and Problems Associated with Getting Their Hamiltonians 总被引:1,自引:1,他引:0
G. López L. A. Barrera Y. Garibo H. Hernández J. C. Salazar C. A. Vargas 《International Journal of Theoretical Physics》2004,43(10):2009-2021
The constants of motion of the following systems are deduced: a relativistic particle with linear dissipation; a no-relativistic particle with a time explicitly depending force; a no-relativistic particle with a constant force and time depending mass; and a relativistic particle under a conservative force with position depending mass. The Hamiltonian for these systems, which is determined by getting the velocity as a function of position and generalized linear momentum, can be found explicitly at first approximation for the first system. The Hamiltonians for the other systems are kept implicitly in their expressions for their constants of motion. 相似文献
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Candelaria Goycoolea Mauricio Barrera Fernando Zuloaga 《International journal of quantum chemistry》1989,36(4):455-472
Electronegativity χ and hardness η for 54 atoms and their positive and negative ions are calculated by means of self-interaction-corrected DFT including correlation terms. The exchange potential energy is treated by local spin density approximation corrected to account for self-interaction effects as suggested by Rae. The highest occupied orbital eigenvalues for ions are identified to the chemical potential μ± for positive and negative charged atoms depending upon the developing charge process. Values of χ±δ and η± for the different ionic species are given for several values of δ. Average values for 〈χ〉 and 〈η〉 in the sense of Mulliken finite formula for neutral atoms are also tabulated and compared with Mulliken values from experimental data. The agreement among them is almost quantitative. 相似文献
4.
F. Hernández-Luis M. Barrera H. R. Galleguillos L. Fernández-Mérida M. Pérez 《Journal of solution chemistry》1996,25(2):219-229
The activity coefficients of sodium bromide in the ternary system NaBr+NaClO4+H2O were determined at 25°C and constant ionic strength of 0.1, 0.5, 1, 2, and 3 mol-kg?1 from emf of the cell without, liquid junction $$ISE - Na|NaBr(m_A ), NaClO_4 (m_B ), AgCl_{(s)} 1 Ag$$ The experimental activity coefficients were comparatively analyzed by using the Harned, Scatchard, Pitzer and Lim-HOLL treatments. All these methods are adequate for the analysis of the experimental data. The results have been compared with those of Lanier for the system: NaCl+NaClO4+H2O. The Gibbs excess energy of mixing was obtained and qualitatively interpreted in terms of ionic interactions. 相似文献
5.
The substitution chemistry of TcCl(3)(PPh(3))(2)(CH(3)CN) is rather facile relative to the analogous rhenium complex, since both the chloride and phosphine ligands are easily substituted for various pyridine ligands. Consequently a series of Tc(III) complexes with amine, pyridine, and polypyridyl ligands were prepared and characterized by (1)H NMR and cyclic voltammetry. In addition, the zinc reduction of TcCl(4)(py)(2) in the presence of pyridine results in TcCl(2)(py)(4). Structural and spectroscopic data indicate that this Tc(II) complex exhibits strong metal-pyridine interactions characteristic of low-valent amine complexes of Re(II) and Os(II). For example, a decrease of 0.04 and 0.06 ? is observed for the trans-Tc-N bond length in TcCl(2)(py)(4 )relative to mer-TcCl(3)(pic)(3) and [TcCl(2)(py)(3)(PPh(3))](+), respectively. This ability of pyridine to function both as a strong sigma-donor and moderate pi-acid ligand has resulted in the isolation of technetium complexes in various oxidation states with similar ligand environments. As a result, a structural comparison of [TcCl(2)(py)(3)(PPh(3))](+), TcCl(2)(py)(4), TcCl(tpy)(py)(2), and other known Tc(III) and Tc(II) pyridine complexes is presented. Crystals of [TcCl(2)(py)(3)(PPh(3))]PF(6) are triclinic, with space group P&onemacr;, Z = 2, and lattice parameters a = 12.677(4) ?, b = 13.064(4) ?, c = 13.103(5) ?, alpha = 110.14(3) degrees, beta = 101.12(3) degrees, gamma = 96.61 degrees, V = 1959 ?(3), and R = 0.0615 (R(w) = 0.1148). Crystals of TcCl(2)(py)(4) are tetragonal, with space group I4(1)/acd, Z = 8, and lattice parameters a = 15.641(4) ?, c = 16.845(6) ?, V = 4121 ?(3), and R = 0.0373 (R(w) = 0.0290). Crystals of TcCl(tpy)(py)(2) are orthorhombic, with space group C222(1), Z = 4, and lattice parameters a = 9.359(3) ?, b = 16.088(6) ?, c = 18.367(4) ?, V = 2765 ?(3), and R = 0.0499 (R(w) = 0.0599). 相似文献
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This paper considers the problem of evaluating the maximum load that an elastic–plastic frame structure can withstand when material or element softening is present. Here we propose an extension of the Linear Matching Method to take into account material softening. The technique has two major steps: reduction of the total potential energy to obtain the solution of a linear problem and scaling of the resulting mechanism of deformation to maximize the load. Two procedures are evaluated for the second of these steps; a direct approach which simply examines how the solution evolves along a radial path in degree of freedom space, and an incremental method which takes into account how the solution might evolve along paths away from this radial line. It is demonstrated that the incremental approach is more robust and provides stable solutions for high and low levels of softening, but numerical instabilities in the procedure can occur for intermediate degrees of softening. 相似文献
9.
Bharathi Avula Babu L. Tekwani Narayan D. Chaurasiya NP Dhammika Nanayakkara Yan‐Hong Wang Shabana I. Khan Vijender R. Adelli Rajnish Sahu Mahmoud A. Elsohly James D. McChesney Ikhlas A. Khan Larry A. Walker 《Journal of mass spectrometry : JMS》2013,48(2):276-285
Therapeutic efficiency and hemolytic toxicity of primaquine (PQ), the only drug available for radical cure of relapsing vivax malaria are believed to be mediated by its metabolites. However, identification of these metabolites has remained a major challenge apparently due to low quantities and their reactive nature. Drug candidates labeled with stable isotopes afford convenient tools for tracking drug‐derived metabolites in complex matrices by liquid chromatography‐tandem mass spectrometry (LC‐MS‐MS) and filtering for masses with twin peaks attributable to the label. This study was undertaken to identify metabolites of PQ from an in vitro incubation of a 1:1 w/w mixture of 13C6‐PQ/PQ with primary human hepatocytes. Acquity ultra‐performance LC (UHPLC) was integrated with QTOF‐MS to combine the efficiency of separation with high sensitivity, selectivity of detection and accurate mass determination. UHPLC retention time, twin mass peaks with difference of 6 (originating from 13C6‐PQ/PQ), and MS‐MS fragmentation pattern were used for phenotyping. Besides carboxy‐PQ (cPQ), formed by oxidative deamination of PQ to an aldehyde and subsequent oxidation, several other metabolites were identified: including PQ alcohol, predictably generated by oxidative deamination of PQ to an aldehyde and subsequent reduction, its acetate and the alcohol's glucuronide conjugate. Trace amounts of quinone‐imine metabolites of PQ and cPQ were also detected which may be generated by hydroxylation of the PQ/cPQ quinoline ring at the 5‐position and subsequent oxidation. These findings shed additional light on the human hepatic metabolism of PQ, and the method can be applied for identification of reactive PQ metabolites generated in vivo in preclinical and clinical studies. Copyright © 2013 John Wiley & Sons, Ltd. 相似文献
10.
Ana Barrera Corinne Binet Frdric Dubois Pierre-Alexandre Hbert Philippe Supiot Corinne Foissac Ulrich Maschke 《Molecules (Basel, Switzerland)》2021,26(10)
In the present work, the dielectric properties of recycled liquid crystals (LCs) (non-purified, purified, and doped with diamond nanoparticles at 0.05, 0.1, and 0.2 wt%) were investigated. The studied LC mixtures were obtained from industrial recycling of end-of-life LC displays presenting mainly nematic phases. Dielectric measurements were carried out at room temperature on a frequency range from 0.1 to 106 Hz using an impedance analyzer. The amplitude of the oscillating voltage was fixed at 1 V using cells with homogeneous and homeotropic alignments. Results show that the dielectric anisotropy of all purified samples presents positive values and decreases after the addition of diamond nanoparticles to the LC mixtures. DC conductivity values were obtained by applying the universal law of dielectric response proposed by Jonscher. In addition, conductivity of the doped LC mixtures is lower than that of the undoped and non-purified LC. 相似文献