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51.
We present a strongly correlated approach to the electronic structure of actinide metals by deriving a low-energy Hamiltonian H[over] under the assumption that kinetic energy is small compared to Coulomb and spin-orbit interactions. The H[over]Pu for Pu metal is similar to the models used for Ce and other lanthanides but qualitatively different from the H[over] presented for the rest of the actinides. With H[over]Pu, we computed the photoemission spectrum and specific heat for alpha and delta-Pu and found good agreement with experiment. 相似文献
52.
The definition and simulation of fractional Brownian motion are considered from the point of view of a set of coherent fractional derivative definitions. To do it, two sets of fractional derivatives are considered: (a) the forward and backward and (b) the central derivatives, together with two representations: generalised difference and integral. It is shown that for these derivatives the corresponding autocorrelation functions have the same representations. The obtained results are used to define a fractional noise and, from it, the fractional Brownian motion. This is studied. The simulation problem is also considered. 相似文献
53.
54.
Catarina Serafim Maria Elaine Araruna Edvaldo Alves Júnior Margareth Diniz Cllia Hiruma-Lima Lenia Batista 《Molecules (Basel, Switzerland)》2020,25(22)
Peptic ulcers are characterized by erosions on the mucosa of the gastrointestinal tract that may reach the muscle layer. Their etiology is multifactorial and occurs when the balance between offensive and protective factors of the mucosa is disturbed. Peptic ulcers represent a global health problem, affecting millions of people worldwide and showing high rates of recurrence. Helicobacter pylori infection and the use of non-steroidal anti-inflammatory drugs (NSAIDs) are one of the most important predisposing factors for the development of peptic ulcers. Therefore, new approaches to complementary treatments are needed to prevent the development of ulcers and their recurrence. Natural products such as medicinal plants and their isolated compounds have been widely used in experimental models of peptic ulcers. Flavonoids are among the molecules of greatest interest in biological assays due to their anti-inflammatory and antioxidant properties. The present study is a literature review of flavonoids that have been reported to show peptic ulcer activity in experimental models. Studies published from January 2010 to January 2020 were selected from reference databases. This review refers to a collection of flavonoids with antiulcer activity in vivo and in vitro models. 相似文献
55.
Nonlinear Dynamics - In the past decade, substantial effort has been put in the design of attitude observers with bias estimation that present both stability and convergence guarantees. However,... 相似文献
56.
Humberto E. Ortega João M. Batista Weilan G.P. Melo Jon Clardy Mônica T. Pupo 《Tetrahedron letters》2018,59(13):1239
The known antibiotic and cytotoxic compounds griseorhodin A (1) and griseorhodin C (2) were produced in solid culture by Streptomyces puniceus AB10, which was isolated from the leaf-cutter ant Acromyrmex rugosus rugosus. Their absolute configurations were unambiguously established as 6S,6aS,7S,8S and 6R,6aS,7S,8R, respectively, using vibrational circular dichroism (VCD) and density functional theory (DFT) calculations. 相似文献
57.
Edione F. Canzi Fernando M. dos Santos Emanuelle K. Meneghetti Beatriz Helena L.N. Sales Maia João M. Batista 《Tetrahedron letters》2018,59(2):135-137
Dibenzoylmethanes (DBMs) belong to a small group of flavonoids, known as β-hydroxychalcones, rarely found in nature. Despite their biological and chemotaxonomic importance, the absolute configuration of C-8 substituted DBMs has never been reported. Herein, the absolute stereochemistry of 2′-methoxy-8-(α-α-dimethylallyl)-[3′,4′:4″,5″]-furan-dibenzoylmethane is determined using the VCD exciton chirality method, which may be safely applied to other members of this class. 相似文献
58.
André Gustavo de A. Fernandes Pedro Ivo da S. Maia Elizeu J. de Souza Sebastião S. Lemos Alzir A. Batista Ulrich Abram Javier Ellena Eduardo E. Castellano Victor M. Deflon 《Polyhedron》2008
Novel rhenium complexes containing the maltolate (mal) or kojate (koj) anions as chelating ligands have been synthesized: [ReOCl(mal)2] (1), [ReOCl2(mal)(PPh3)] (2), [ReOBr2(mal)(PPh3)] (3), [ReOCl2(koj)(PPh3)] (4) and [ReOBr2(koj)(PPh3)] (5). The products have been characterized by FTIR, 1H, 13C, and 31P NMR spectroscopies and elemental analysis. The crystal and molecular structures of all complexes were determined. Complex 1 crystallizes monoclinic, space group C2/c, Z = 8. It contains two O,O′-bidentate maltolate ligands and one chloro ligand at the (ReO)3+ unit, so that a distorted octahedral geometry is adopted by the six-coordinated rhenium(V) center. The chloro ligand occupies a cis position to the oxo ligand. Complexes 2 and 3 are isostructural and crystallize orthorhombic, space group Pbca and Z = 8. The isostructural complexes 4 and 5 crystallize monoclinic, space group P21/n and Z = 4. In complexes 2–5, the (ReO)3+ unit is coordinated by a monoanionic O,O-bidentate unit of the maltolate (2 and 3) or kojate (4 and 5) ligand, one triphenylphosphine and two halogeno ligands (Cl in 2 and 4; Br in 3 and 5), with the rhenium(V) center in a distorted octahedral environment. The halide ligands are in cis positions to each other. 相似文献
59.
Antônio Gomes dos Santos Neto Franciele de Matos Morawski Ana Caroline Ferreira Santos Cláudia Quintino da Rocha Roberto Batista de Lima Marília Oliveira Fonseca Goulart Clenilton Costa dos Santos Flávio Colmati Antônio Euzébio Goulart Santana Marco Aurélio Suller Garcia Auro Atsushi Tanaka 《Electroanalysis》2023,35(5):e202200390
Here, we report multiwalled carbon nanotubes (MWCNTs) functionalized with γ-cyclodextrins (γCD) as a novel electrochemical strategy for Rutin determination, showing superior performance than β-cyclodextrins (βCD) modified MWCNTs, suggesting an adequate environment for host-guest interactions. Under optimized conditions, the sensor showed a linear range of 39–975 nmol L−1 and a limit of detection of 7 nmol L−1. When tested with quercetin, catechin, and caffeine, the platform presented high selectivity with an interference response <10 %. The method was employed to quantify Rutin in spiked pharmaceutical and herbal extracts, providing recovery of 93–98.4 %. Also, HPLC-PDA confirmed the method‘s accuracy. 相似文献
60.
McNamara WR Snoeberger RC Li G Schleicher JM Cady CW Poyatos M Schmuttenmaer CA Crabtree RH Brudvig GW Batista VS 《Journal of the American Chemical Society》2008,130(43):14329-14338
A novel class of derivatized acetylacetonate (acac) linkers for robust functionalization of TiO2 nanoparticles (NPs) under aqueous and oxidative conditions is reported. The resulting surface adsorbate anchors are particularly relevant to engineering photocatalytic and photovoltaic devices since they can be applied to attach a broad range of photosensitizers and photocatalytic complexes and are not affected by humidity. Acac is easily modified by CuI-mediated coupling reactions to provide a variety of scaffolds, including substituted terpy complexes (terpy = 2,2':6,2'-terpyridine), assembled with ligands coordinated to transition-metal ions. Since Mn-terpy complexes are known to be effective catalysts for oxidation chemistry, functionalization with Mn(II) is examined. This permits visible-light sensitization of TiO2 nanoparticles due to interfacial electron transfer, as evidenced by UV-vis spectroscopy of colloidal thin films and aqueous suspensions. The underlying ultrafast interfacial electron injection is complete on a subpicosecond time scale, as monitored by optical pump-terahertz probe transient measurements and computer simulations. Time-resolved measurements of the Mn(II) EPR signal at 6 K show that interfacial electron injection induces Mn(II) --> Mn(III) photooxidation, with a half-time for regeneration of the Mn(II) complex of ca. 23 s. 相似文献