136 research outputs found
Chiral dynamics in the presence of bound states: kaon-nucleon interactions revisited
We study the S-wave kaon-nucleon interactions for strangeness S=-1 in a novel
relativistic chiral unitary approach based on coupled channels. Dispersion
relations are used to perform the necessary resummation of the lowest order
relativistic chiral Lagrangian. A good description of the data in the K^- p,
\pi \Sigma and \pi \Lambda channels is obtained. We show how this method can be
systematically extended to higher orders, emphasizing its applicability to any
scenario of strong self-interactions where the perturbative series diverges
even at low energies. Discussions about the differences to existing approaches
employing pseudo-potentials in a regulated Lippmann-Schwinger equation are
included. Finally, we describe the resonance content of our meson-baryon
amplitudes and discuss its nature.Comment: 12 pp, LaTeX2e, FZJ-IKP(TH)-2000-2
Fine tuning of MLCT states in new mononuclear complexes of ruthenium(II) containing tris(1-pyrazolyl)methane, 2,2′-bipyridine and aromatic nitrogen heterocycles
The syntheses of new mononuclear ruthenium(II) complexes of the type: [Ru(bpy)(L)(tpm)](PF6)2 {tpm = tris(1-pyrazolyl)-methane; bpy = 2,2′-bipyridine; L = pz (pyrazine; 1), 4,4′-bpy (4,4′-bipyridine; 2), and bpe [trans-1,2-bis(4-pyridyl)ethylene; 3]} are described, together with their spectroscopic, electrochemical, and photophysical properties. A complete assignment of the NMR resonances of the three species could be made in CD3CN by bidimensional techniques. A fine tuning of the energies of MLCT (metal-to-ligand charge transfer) states in these complexes is disclosed when comparing, in CH3CN, the values of their maximum absorption wave-lengths for the most intense visible bands (λ max) and their redox potentials for the RuIII/Ru II couples; this effect, relevant to the design of efficient photocatalysts, can be attributed to a decreasing order of dĎ€(Ru) →*(2,2′-bpy) backbonding when decreasing the distance between both N atoms in the aromatic nitrogen heterocycle L that acts in a monodentate manner. Only the species with L = bpe emits at room temperature, pointing to the conclusion that MLCT excited states in this series become higher in energy than dd excited states when the value of λmax is lower than 400 nm. These species are also useful building blocks for new dinuclear mixed-valent complexes. © Wiley-VCH Verlag GmbH & Co. KGaA, 69451 Weinheim, Germany, 2005.Fil: Katz, NĂ©stor Eduardo. Universidad Nacional de Tucumán. Facultad de BioquĂmica, QuĂmica y Farmacia. Instituto de QuĂmica FĂsica; Argentina. Consejo Nacional de Investigaciones CientĂficas y TĂ©cnicas. Centro CientĂfico TecnolĂłgico Conicet - Tucumán. Instituto de QuĂmica del Noroeste. Universidad Nacional de Tucumán. Facultad de BioquĂmica, QuĂmica y Farmacia. Instituto de QuĂmica del Noroeste; ArgentinaFil: Romero, Isabel. Universidad de Girona; EspañaFil: Llobet, Antoni. Universidad de Girona; EspañaFil: Parella, Teodor. Universitat Autònoma de Barcelona; EspañaFil: Benet Buchholz, Jordi. Bayer Industry Services; Alemani
The structure of mercantile communities in the Roman world : how open were Roman trade networks?
The catalytic mechanism of glyceraldehyde 3-phosphate dehydrogenase from Trypanosoma cruzi elucidated via the QM/MM approach
Glyceraldehyde-3-phosphate dehydrogenase (GAPDH) has been identified as a key enzyme involved in glycolysis processes for energy production in the Trypanosoma cruzi parasite. This enzyme catalyses the oxidative phosphorylation of glyceraldehyde 3-phosphate (G3P) in the presence of inorganic phosphate (Pi) and nicotinamide adenosine dinucleotide (NAD+). The catalytic mechanism used by GAPDH has been intensively investigated. However, the individual roles of Pi and the C3 phosphate of G3P (Ps) sites, as well as some residues such as His194 in the catalytic mechanism, remain unclear. In this study, we have employed Molecular Dynamics (MD) simulations within hybrid quantum mechanical/molecular mechanical (QM/MM) potentials to obtain the Potential of Mean Force of the catalytic oxidative phosphorylation mechanism of the G3P substrate used by GAPDH. According to our results, the first stage of the reaction (oxidoreduction) takes place in the Pi site (energetically more favourable), with the formation of oxyanion thiohemiacetal and thioacylenzyme intermediates without acidbase assistance of His194. Analysis of the interaction energy by residues shows that Arg249 has an important role in the ability of the enzyme to bind the G3P substrate, which interacts with NAD+ and other important residues, such as Cys166, Glu109, Thr167, Ser247 and Thr226, in the GAPDH active site. Finally, the inhibition mechanism of the GAPDH enzyme by the 3-(p-nitrophenoxycarboxyl)-3-ethylene propyl dihydroxyphosphonate inhibitor was investigated in order to contribute to the design of new inhibitors of GAPDH from Trypanosoma cruzi
Suplementação com gordura protegida para vacas de corte desmamadas precocemente mantidas em pastagem natural
- …