69 research outputs found
Electron-hole and plasmon excitations in 3d transition metals: Ab initio calculations and inelastic x-ray scattering measurements
We report extensive all-electron time-dependent density-functional
calculations and nonresonant inelastic x-ray scattering measurements of the
dynamical structure factor of 3d transition metals. For small wave vectors, a
plasmon peak is observed which is well described by our calculations. At large
wave vectors, both theory and experiment exhibit characteristic low-energy
electron-hole excitations of d character which correlate with the presence of d
bands below and above the Fermi level. Our calculations, which have been
carried out in the random-phase and adiabatic local-density approximations, are
found to be in remarkable agreement with the measured dynamical structure
factor of Sc and Cr at energies below the semicore onset energy (M-edge) of
these materials.Comment: To appear in Phys. Rev.
Slabs of stabilized jellium: Quantum-size and self-compression effects
We examine thin films of two simple metals (aluminum and lithium) in the
stabilized jellium model, a modification of the regular jellium model in which
a constant potential is added inside the metal to stabilize the system for a
given background density. We investigate quantum-size effects on the surface
energy and the work function. For a given film thickness we also evaluate the
density yielding energy stability, which is found to be slightly higher than
the equilibrium density of the bulk system and to approach this value in the
limit of thick slabs. A comparison of our self-consistent calculations with the
predictions of the liquid-drop model shows the validity of this model.Comment: 7 pages, 6 figures, to appear in Phys. Rev.
Self-energy of image states on copper surfaces
We report extensive calculations of the imaginary part of the electron
self-energy in the vicinity of the (100) and (111) surfaces of Cu. The
quasiparticle self-energy is computed by going beyond a free-electron
description of the metal surface, either within the GW approximation of
many-body theory or with inclusion, within the GW approximation, of
short-range exchange-correlation effects. Calculations of the decay rate of the
first three image states on Cu(100) and the first image state on Cu(111) are
also reported, and the impact of both band structure and many-body effects on
the electron relaxation process is discussed.Comment: 8 pages, 5 figures, to appear in Phys. Rev.
Structure and dynamics of Rh surfaces
Lattice relaxations, surface phonon spectra, surface energies, and work
functions are calculated for Rh(100) and Rh(110) surfaces using
density-functional theory and the full-potential linearized augmented plane
wave method. Both, the local-density approximation and the generalized gradient
approximation to the exchange-correlation functional are considered. The force
constants are obtained from the directly calculated atomic forces, and the
temperature dependence of the surface relaxation is evaluated by minimizing the
free energy of the system. The anharmonicity of the atomic vibrations is taken
into account within the quasiharmonic approximation. The importance of
contributions from different phonons to the surface relaxation is analyzed.Comment: 9 pages, 7 figures, scheduled to appear in Phys. Rev. B, Feb. 15
(1998). Other related publications can be found at
http://www.rz-berlin.mpg.de/th/paper.htm
Lifetimes of image-potential states on copper surfaces
The lifetime of image states, which represent a key quantity to probe the
coupling of surface electronic states with the solid substrate, have been
recently determined for quantum numbers on Cu(100) by using
time-resolved two-photon photoemission in combination with the coherent
excitation of several states (U. H\"ofer et al, Science 277, 1480 (1997)). We
here report theoretical investigations of the lifetime of image states on
copper surfaces. We evaluate the lifetimes from the knowledge of the
self-energy of the excited quasiparticle, which we compute within the GW
approximation of many-body theory. Single-particle wave functions are obtained
by solving the Schr\"odinger equation with a realistic one-dimensional model
potential, and the screened interaction is evaluated in the random-phase
approximation (RPA). Our results are in good agreement with the experimentally
determined decay times.Comment: 4 pages, 1 figure, to appear in Phys. Rev. Let
Immune modulation via T regulatory cell enhancement:Disease-modifying therapies for autoimmunity and their potential for chronic allergic and inflammatory diseases-An EAACI position paper of the Task Force on Immunopharmacology (TIPCO)
Therapeutic advances using targeted biologicals and small-molecule drugs have achieved significant success in the treatment of chronic allergic, autoimmune, and inflammatory diseases particularly for some patients with severe, treatment-resistant forms. This has been aided by improved identification of disease phenotypes. Despite these achievements, not all severe forms of chronic inflammatory and autoimmune diseases are successfully targeted, and current treatment options, besides allergen immunotherapy for selected allergic diseases, fail to change the disease course. T cell–based therapies aim to cure diseases through the selective induction of appropriate immune responses following the delivery of engineered, specific cytotoxic, or regulatory T cells (Tregs). Adoptive cell therapies (ACT) with genetically engineered T cells have revolutionized the oncology field, bringing curative treatment for leukemia and lymphoma, while therapies exploiting the suppressive functions of Tregs have been developed in nononcological settings, such as in transplantation and autoimmune diseases. ACT with Tregs are also being considered in nononcological settings such as cardiovascular disease, obesity, and chronic inflammatory disorders. After describing the general features of T cell–based approaches and current applications in autoimmune diseases, this position paper reviews the experimental models testing or supporting T cell–based approaches, especially Treg-based approaches, in severe IgE-mediated responses and chronic respiratory airway diseases, such as severe asthma and COPD. Along with an assessment of challenges and unmet needs facing the application of ACT in these settings, this article underscores the potential of ACT to offer curative options for patients with severe or treatment-resistant forms of these immune-driven disorders
Metabolic pathways in immune senescence and inflammaging: Novel therapeutic strategy for chronic inflammatory lung diseases. An EAACI position paper from the Task Force for Immunopharmacology
The accumulation of senescent cells drives inflammaging and increases morbidity of chronic inflammatory lung diseases. Immune responses are built upon dynamic changes in cell metabolism that supply energy and substrates for cell proliferation, differentiation, and activation. Metabolic changes imposed by environmental stress and inflammation on immune cells and tissue microenvironment are thus chiefly involved in the pathophysiology of allergic and other immune‐driven diseases. Altered cell metabolism is also a hallmark of cell senescence, a condition characterized by loss of proliferative activity in cells that remain metabolically active. Accelerated senescence can be triggered by acute or chronic stress and inflammatory responses. In contrast, replicative senescence occurs as part of the physiological aging process and has protective roles in cancer surveillance and wound healing. Importantly, cell senescence can also change or hamper response to diverse therapeutic treatments. Understanding the metabolic pathways of senescence in immune and structural cells is therefore critical to detect, prevent, or revert detrimental aspects of senescence‐related immunopathology, by developing specific diagnostics and targeted therapies. In this paper, we review the main changes and metabolic alterations occurring in senescent immune cells (macrophages, B cells, T cells). Subsequently, we present the metabolic footprints described in translational studies in patients with chronic asthma and chronic obstructive pulmonary disease (COPD), and review the ongoing preclinical studies and clinical trials of therapeutic approaches aiming at targeting metabolic pathways to antagonize pathological senescence. Because this is a recently emerging field in allergy and clinical immunology, a better understanding of the metabolic profile of the complex landscape of cell senescence is needed. The progress achieved so far is already providing opportunities for new therapies, as well as for strategies aimed at disease prevention and supporting healthy aging
Platinum–rhodium–tin/carbon electrocatalysts for ethanol oxidation in acid media: effect of the precursor addition order and the amount of tin
Carbon-supported Pt x –Rh y –Sn z catalysts (x:y:z = 3:1:4, 6:2:4, 9:3:4) are prepared by Pt, Rh, and Sn precursors reduction in different addition order. The materials are characterized by X-ray diffraction, transmission electron microscopy, and X-ray photoelectron spectroscopy techniques and are evaluated for the electrooxidation of ethanol in acidic media by cyclic voltammetry, chronoamperometry, and anode potentiostatic polarization. The influence of both the order in which the precursors are added and the composition of metals in the catalysts on the electrocatalytic activity and physico-chemical characteristics of Pt x –Rh y –Sn z /C catalysts is evaluated. Oxidized Rh species prevail on the surface of catalysts synthesized by simultaneous co-precipitation, thus demonstrating the influence of synthesis method on the oxidation state of catalysts. Furthermore, high amounts of Sn in composites synthesized by co-precipitation result in very active catalysts at low potentials (bifunctional effect), while medium Sn load is needed for sequentially deposited catalysts when the electronic effect is most important (high potentials), since more exposed Pt and Rh sites are needed on the catalyst surface to alcohol oxidation. The Pt3–Rh1–Sn4/C catalyst prepared by co-precipitation is the most active at potentials lower than 0.55 V (related to bifunctional effect), while the Pt6–Rh2–Sn4/C catalyst, prepared by sequential precipitation (first Rh and, after drying, Pt + Sn), is the most active above 0.55 V.The authors thank the Brazilian National Council of Technological and Scientific Development-CNPq (Grants: 402243/2012-9, 303630/2012-4, 474261/2013-1, 407274/2013-8, and 310282/2013-6) for the scholarships and financial support for this work
Construction of reference chromosome-scale pseudomolecules for potato: Integrating the potato genome with genetic and physical maps.
Individual strategy update and emergence of cooperation in social networks
In this paper, we critically study whether social networks can explain the emergence of cooperative behavior. We carry out an extensive simulation program in which we study the most representative social dilemmas. For the Prisoner’s Dilemma, it turns out that the emergence of cooperation is very dependent on the micro-dynamics. On the other hand, network clustering mostly facilitates global cooperation in the Stag Hunt game, whereas degree heterogeneity promotes cooperation in Snowdrift dilemmas. Thus, social networks do not promote cooperation in general, because the macrooutcome is not robust under change of dynamics. Therefore, having specific applications of interest in mind is crucial to include the appropriate microdetails in a good model.This work has been supported by Ministerio de Ciencia e Innovación (Spain) through grant MOSAICO, and by Comunidad de Madrid (Spain) through grant MODELICO-CM.Publicad
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