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11.
ABSTRACTCo-crystallization frequently employs forces such as hydrogen bonds, halogen bonds, and π-π stacking to assemble molecules in a multi-component crystal. In an effort to increase the strength of the intermolecular interaction between the anti-cholesterol drug bezafibrate (BEZA), a wastewater contaminant, and hydrogen-bond-acceptor molecules, we modified the pKa values of the acceptors. Here, we describe the first series of salts incorporating BEZA and achieve a variety of supramolecular architectures including discrete assemblies, 1D chains, tapes, and 2D sheets. We discuss exceptions to the pKa rule, and demonstrate that the presence of hydrogen-bond-donor atoms on the acceptor molecule supports salt formation. 相似文献
12.
Joaquim Branco Catarina de Jesus Dias Antnio Pereira Gonalves Teresa Almeida Gasche Antnio Pires de Matos 《Thermochimica Acta》2004,420(1-2):169-173
In our laboratories we have been studying the synthesis and reactivity of binary actinide and lanthanide intermetallic compounds. In this work, the air-oxidation of ThCu2 and AnNi2 (An = Th, U) was followed by thermogravimetry (TG) and the products were characterized by X-ray powder diffraction (XRD). The heterobimetallic oxides obtained are described by the formulas 2MO·ThO2 (M = Cu, Ni) and 2NiO·UO3. The thermogravimetric analysis under hydrogen of these heterobimetallic oxides show one mass loss for 2MO·ThO2 and two mass losses for 2NiO·UO3 over a wide range of temperature (293–1273 K). The characterization by XRD shows that the reduction products are 2M·ThO2 (M = Cu, Ni) and 2Ni·UO2, with all the actinides in the 4+ oxidation state. The actinide heterobimetallic oxides were described as copper or nickel supported catalysts. 相似文献
13.
C. G. L. Canellas S. M. F. Carvalho E. F. O. De Jesus M. J. Anjos R. T. Lopes 《Journal of Radioanalytical and Nuclear Chemistry》2006,269(3):631-634
Summary Major and trace elements were determined in serum of patients with chronic myelogenous leukemia (CML) using total reflection
X-ray fluorescence induced by synchrotron radiation (SRTXRF). CML affects 1 to 2 people per 100,000 and accounts for 7-20%
cases of leukemia. It was possible to determine the concentrations of the following elements: P, S, Cl, K, Ca, Cr, Mn, Fe,
Ni, Cu, Zn, Br and Rb. Using analysis of variance (ANOVA) it was observed that the contents of the P, S, Ca, Cr, Mn, Fe, Cu
and Rb elements differed significantly at a = 0.05 between groups of healthy subjects and CML patients and also genders (males
and females). 相似文献
14.
An expeditious synthesis of t-butyldimethylsilyl triflate is described from triflic acid and t-butyldimethylsilane. Reaction between trichloromethyltrimethylsilane and triflic acid is also reported. 相似文献
15.
The title amines were pyrolyzed in a stirred-flow reactor at 380–510°C, pressures of 8–15 torr and residence times of 0.3–2.4 s, using toluene as carrier gas. The substrates with an allyl group yielded propene and iminonitriles as reaction products. HCN is formed by decomposition of the iminonitriles. The first-order rate coefficients for propene formation fit the Arrhenius equations
- Allyl cyanomethyl amine:
- Diallyl cyanomethyl amine:
16.
Maria do Carmo Rangel Varela Milton Francisco de Jesus Filho Fernando Galembeck 《Hyperfine Interactions》1994,83(1):159-167
Mössbauer spectroscopy was used to follow the aging of ferrihydrite with different amounts of acetate, to achieve more crystalline products. Mössbauer spectra of fresh samples did not show any magnetic components. After two years aging, the solids presented crystalline fractions. Hematite formation was inhibited as acetate content increased in solids. For an acetate/iron molar ratio equal to 0.63 goethite was formed instead of hematite. X-ray diffraction confirmed these results. This work shows that synthetic samples can be used for elucidating the anti-hematitic effect of organic matter already detected in soils. 相似文献
17.
A method to identify the invariant subsets of bi-infinite configurations of cellular automata that propagate rigidly with a constant velocity nu is described. Causal traveling configurations, propagating at speeds not greater than the automaton range, mid R:numid R:=r, are considered. The sets of traveling configurations are presented by finite automata and its topological entropy is calculated. When the invariant subset of traveling configurations has nonzero topological entropy, the dynamics is dominated by the interaction of domains, composed of traveling patterns of finite size. The sets of traveling patterns and domains are presented by finite automata. End-resolving CA are shown to always have sets of traveling configurations that are spatially periodic with zero entropy, except possibly for traveling configurations at top speed. The elementary CA are examined exhaustively along these lines. (c) 1996 American Institute of Physics. 相似文献
18.
19.
We show that the exact non-Born-Oppenheimer Schrodinger equation for the Hookean diatomic molecule H2 (a two-proton, two-electron system where the electron-proton interaction is harmonic while the proton-proton and electron-electron interactions are Coulombic) can be decoupled into equations describing the relative motion of the electrons, the relative motion of nuclei, the motion of a collective mode representing a three-dimensional harmonic oscillator, and the motion of a free particle expressed as a linear combination of the individual center-of-mass coordinates of the nuclei and electrons. Analytic solutions to the relative motion of electrons can be readily obtained for the given values of the harmonic coupling constant. However, exact analytic solutions to the equation for the relative motion of the nuclei cannot be obtained simultaneously due to the fact that the harmonic constants in these two equations are coupled. For this reason, we present for the relative nuclear motion approximate analytic wave functions, one of them obtained variationally and the other by a series solution where the coefficients are determined recursively. We also explore a variational solution to the Taylor-series expansion of the nuclear interaction potential. Properties of the electronic and nuclear intracule densities are examined at different values of the coupling constant. An interesting result of the present non-Born-Oppenheimer treatment of this harmonic model is the fact that the relative nuclear motion occurs in a highly correlated regime. This leads in a natural way to a spatial localization of the nuclei akin to Wigner electronic crystallization. 相似文献
20.
R. F. B. Serpa E. F. O. De Jesus M. J. Anjos R. T. Lopes M. G. T. do Carmo S. Moreira M. S. Rocha A. M. B. Martinez 《Journal of Radioanalytical and Nuclear Chemistry》2006,269(3):647-652
Summary The study of trace element levels is of great importance due to their relevance in agingand several neurodegenerative diseases.
This work compares the elemental concentrations in different postnatal ages and between the temporal cortex, entorhinal cortex
and hippocampus from Wistar rats, using X-ray total reflection fluorescence with synchrotron radiation. Ten elements were
determined in brain samples: Ti, Cr, Mn, Fe, Cu, Zn, (at trace level) and P, S, Cl and K (at major levels). The elements that
increased with aging in cortical areas were: S, K, Fe, Cu and Zn. Ca and Zn levels decreased with advancing age in the hippocampus.
In addition to this, Ti, Mn and Fe levels were more conspicuous in the entorhinal cortex. 相似文献