Search results for "m.m.f."

Sobre a naturalização de Acer campestre L. na Serra de Sintra (Portugal)

2020

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Electronic structure calculations in ordered and disordered solids with spiral magnetic order

2011

A scheme to calculate the electronic structure of systems having a spiral magnetic structure is presented. The approach is based on the Korringa-Kohn-Rostoker Green's function formalism which allows, in combination with the coherent potential approximation alloy theory, dealing with chemically disordered materials. It is applied to the magnetic random alloys Fe${}_{x}$Ni${}_{1\ensuremath{-}x}$, Fe${}_{x}$Co${}_{1\ensuremath{-}x}$, and Fe${}_{x}$Mn${}_{1\ensuremath{-}x}$. For these systems the stability of their magnetic structure was analyzed. For Fe${}_{x}$Ni${}_{1\ensuremath{-}x}$ the spin stiffness for was determined as a function of concentration that was found in satisfying agreement w…

Analysis of the infrared Fourier transform spectrum of the Dyad of 116SnH4

1990

Abstract The FTIR spectrum of monoisotopic 116SnH4 has been recorded with the Bruker 120 HR interferometer at Giessen, West Germany, in the ν 2 ν 4 range extending from 600 to 850 cm−1. The resolution (FWHM) was 2.1 × 10−3 cm−1. The Dyad ν 2 ν 4 (0100, 0001) was analyzed using a sixth-order Hamiltonian. The analysis of infrared transitions enabled us to determine 10 ground state parameters, 9 ν2 parameters, 17 ν4 parameters, and 18 interaction parameters. Of 3800 calculated transitions assigned to observed lines, 1183 unblended lines have been selected for the data refinement. For J ≤ 19, the value of the standard deviation is of the order of magnitude of the estimated experimental accuracy…

2013

Regulatory T cells (Treg) play a pivotal role in the immune system since they inhibit the T cell response. It is well known that cyclophosphamide applied at low dose is able to stimulate the immune response while high dose cyclophosphamide exerts inhibitory activity. Data obtained in mice indicate that cyclophosphamide provokes a reduction in the number of Treg and impairs their suppressive activity, resulting in immune stimulation. Here, we addressed the question of the sensitivity of human Treg to cyclophosphamide, comparing Treg with cytotoxic T cells (CTL) and T helper cells (Th). We show that Treg are more sensitive than CTL and Th to mafosfamide, which is an active derivative of cyclo…

Unraveling the SARS-CoV-2 Main Protease Mechanism Using Multiscale Methods

2020

We present a detailed theoretical analysis of the reaction mechanism of proteolysis catalyzed by the main protease of SARS-CoV-2. Using multiscale simulation methods, we have characterized the interactions established by a peptidic substrate in the active site, and then we have explored the free energy landscape associated with the acylation and deacylation steps of the proteolysis reaction, characterizing the transition states of the process. Our mechanistic proposals can explain most of the experimental observations made on the highly similar ortholog protease of SARS-CoV. We point to some key interactions that may facilitate the acylation process and thus can be crucial in the design of …

The Mediterranean Sanctuary for the Protection of Marine Mammals

1999

Tras una breve descripción de la única zona declarada como Santuario Mediterráneo para la protección de los mamíferos marinos, el presente trabajo comenta algunos aspectos jurídicos relativos a este Santuario marino. En primer lugar, centro la atención en la forma cómo se estableció este Santuario marino. Tras diversas iniciativas de diferentes organizaciones no gubernamentales, Italia, Francia y Mónaco establecieron unilateralmente este Santuario marino en sus respectivas legislaciones nacionales y, posteriormente, estos mismos tres Estados adoptaron un convenio internacional hacia este objetivo. Este instrumento internacional se conoce como la Declaración conjunta por la que se establece …

Fine stagione bombe: 1969-1992

2022

in these stories there is the roar of two bombs, the first on December 12, 1969 in Piazza Fontana in Milan and the second on May 23 1992 near Capaci, on the highway leading to Palermo. In this quarter of a century, however, the Republic had won the armed challenge launched by two enemies: terrorism and the mafia.

Una certa reciprocità di saperi: dalla lotta a terrorismo e mafia ai metodi investigativi tra Italia e Stati Uniti

2021

This essay is divided into two parts. The first investigates the circularity of knowledge, techniques and men in the fight against the mafia and terrorism. The second part isolates one of these tools, perhaps the most important, in the use of "pentiti", to include it in the circularity of experiences with the repression of organized crime in the United States and then in the Italian controversies on the political use of collaborators with justice.

La utilización de marfil de cachalote en el Calcolítico de Portugal

2013

Scientific analysis were undertaken within a research project concerning ivory objects from the Chalcolithic to Early Bronze Age of the Iberian Peninsula. In several of the analyses of objects from Portuguese Estremadura, especially V-perforated buttons, we could detect for the first time the presence of sperm whale ivory. This highlights the advantage and necessity of scientific analysis of ivory. It also clearly demonstrates that not all ivory used was ivory from African or Asian elephants, but we also did find ivory from the extinct Elephas antiquus, the hippopotamus and in this case sperm-whale. Thus, already in the Chalcolithic the raw material provenience was highly diverse, which in …

Multiscale Simulations of SARS-CoV-2 3CL Protease Inhibition with Aldehyde Derivatives. Role of Protein and Inhibitor Conformational Changes in the R…

2021

We here investigate the mechanism of SARS-CoV-2 3CL protease inhibition by one of the most promising families of inhibitors, those containing an aldehyde group as a warhead. These compounds are covalent inhibitors that inactivate the protease, forming a stable hemithioacetal complex. Inhibitor 11a is a potent inhibitor that has been already tested in vitro and in animals. Using a combination of classical and QM/MM simulations, we determined the binding mode of the inhibitor into the active site and the preferred rotameric state of the catalytic histidine. In the noncovalent complex, the aldehyde group is accommodated into the oxyanion hole formed by the NH main-chain groups of residues 143 …