Excitonic effects in the optical properties of CdSe nanowires

Using a first-principle approach beyond density functional theory we calculate the electronic and optical properties of small diameter CdSe nanowires.Our results demonstrate how some approximations commonly used in bulk systems fail at this nano-scale level and how indispensable it is to include crystal local fields and excitonic effects to predict the unique optical properties of nanowires. From our results, we then construct a simple model that describes the optical gap as a function of the diameter of the wire, that turns out to be in excellent agreement with experiments for intermediate and large diameters.Comment: submitte

Effects of thickness on the spin susceptibility of the 2D electron gas

Using available quantum Monte Carlo predictions for a strictly 2D electron gas, we have estimated the spin susceptibility of electrons in actual devices taking into account the effect of the finite transverse thickness and finding a very good agreement with experiments. A weak disorder, as found in very clean devices and/or at densities not too low, just brings about a minor enhancement of the susceptibility.Comment: 4 pages, 3 figure

DNA wrapping around MWNTs and graphene: a SERS study

In recent years, carbon nanostructure as nanotubes (CNTs) and graphene are at the centre of a significant research effort due to the strong scientific and technological interest because of their unique physical and chemical properties: large surface area, excellent thermal and electric conductivity, high electron transfer kinetics and strong mechanical strength. Recently, a great attention has been paid to the interaction of DNA with carbon-based nanostructures such as C60, multiwalled-nanotubes (MWNTs), single-walled nanotubes (SWNTs) and graphene. The development of these studies is motivated by a wide spectrum of possible use of these materials e.g. as biosensors, drug delivery agents and diagnosis tools. In this work, we applied surface-enhanced Raman spectroscopy (SERS) to the study of DNA/MWNTs and DNA/graphene systems

Knowledge Acquisition by Networks of Interacting Agents in the Presence of Observation Errors

In this work we investigate knowledge acquisition as performed by multiple agents interacting as they infer, under the presence of observation errors, respective models of a complex system. We focus the specific case in which, at each time step, each agent takes into account its current observation as well as the average of the models of its neighbors. The agents are connected by a network of interaction of Erd\H{o}s-Renyi or Barabasi-Albert type. First we investigate situations in which one of the agents has a different probability of observation error (higher or lower). It is shown that the influence of this special agent over the quality of the models inferred by the rest of the network can be substantial, varying linearly with the respective degree of the agent with different estimation error. In case the degree of this agent is taken as a respective fitness parameter, the effect of the different estimation error is even more pronounced, becoming superlinear. To complement our analysis, we provide the analytical solution of the overall behavior of the system. We also investigate the knowledge acquisition dynamic when the agents are grouped into communities. We verify that the inclusion of edges between agents (within a community) having higher probability of observation error promotes the loss of quality in the estimation of the agents in the other communities.Comment: 10 pages, 7 figures. A working manuscrip

Caracterização florística de bancos de sementes em sistemas integrados de produção com diferentes níveis de sombreamento

O banco de sementes de plantas daninhas faz parte da dinâmica dessas espécies em áreas agrícolas, sendo resultante do manejo de plantas daninhas e dos sistemas em que se encontra. Objetivou-se com este estudo caracterizar os bancos de sementes em sistemas integrados de produção com gado leiteiro e diferentes níveis de sombreamento nos dois primeiros anos de experimento de longa duração, instalado na Embrapa Agrossilvipastoril, Sinop-MT. O experimento apresenta quatro quadrantes, constituídos por: Q1: pastagem de 1º. ano seguida por pastagem de 2º. ano; Q2: lavoura de 2º. ano seguida por pastagem 1º. ano; Q3: lavoura de 1º. ano seguida de lavoura de 2º. ano; Q4: pastagem de 2º. ano seguida de lavoura 1º. ano. Os quadrantes foram subdivididos em três níveis de sombreamento (sem eucalipto, com renques de linhas duplas de eucaliptos nas laterais da parcela e renques de linha tripla de eucalipto no interior da parcela). Fez-se coleta sistemática por conglomerados com seis amostras compostas por três subamostras na camada de 0 a 0,10 m de profundidade em cada nível de sombreamento dos quatro quadrantes do experimento. As amostras foram avaliadas em casa de vegetação e irrigadas diariamente. As plântulas emergidas foram contadas, identificadas e descartadas quinzenalmente durante três meses. O banco de sementes foi caracterizado pela importância relativa das espécies que ocorreram nos sistemas de produção. Assim, as espécies de Cyperus tendem a predominar em áreas com ausência de árvores e Eleusine indica tende a predominar em áreas sombreadas por árvores. O número de espécies de plantas daninhas tende a aumentar nos sistemas de produção avaliados e de diminuir quando ocorrem dois anos de lavoura

SPARC is a new myeloid-derived suppressor cell marker licensing suppressive activities

Myeloid-derived suppressor cells (MDSC) are well-known key negative regulators of the immune response during tumor growth, however scattered is the knowledge of their capacity to influence and adapt to the different tumor microenvironments and of the markers that identify those capacities. Here we show that the secreted protein acidic and rich in cysteine (SPARC) identifies in both human and mouse MDSC with immune suppressive capacity and pro-tumoral activities including the induction of epithelial-to-mesenchymal transition (EMT) and angiogenesis. In mice the genetic deletion of SPARC reduced MDSC immune suppression and reverted EMT. Sparc−/− MDSC were less suppressive overall and the granulocytic fraction was more prone to extrude neutrophil extracellular traps (NET). Surprisingly, arginase-I and NOS2, whose expression can be controlled by STAT3, were not down-regulated in Sparc−/− MDSC, although less suppressive than wild type (WT) counterpart. Flow cytometry analysis showed equal phosphorylation of STAT3 but reduced ROS production that was associated with reduced nuclear translocation of the NF-kB p50 subunit in Sparc−/− than WT MDSC. The limited p50 in nuclei reduce the formation of the immunosuppressive p50:p50 homodimers in favor of the p65:p50 inflammatory heterodimers. Supporting this hypothesis, the production of TNF by Sparc−/− MDSC was significantly higher than by WT MDSC. Although associated with tumor-induced chronic inflammation, TNF, if produced at high doses, becomes a key factor in mediating tumor rejection. Therefore, it is foreseeable that an unbalance in TNF production could skew MDSC toward an inflammatory, anti-tumor phenotype. Notably, TNF is also required for inflammation-driven NETosis. The high level of TNF in Sparc−/− MDSC might explain their increased spontaneous NET formation as that we detected both in vitro and in vivo, in association with signs of endothelial damage. We propose SPARC as a new potential marker of MDSC, in both human and mouse, with the additional feature of controlling MDSC suppressive activity while preventing an excessive inflammatory state through the control of NF-kB signaling pathway

High-throughput search of ternary chalcogenides for p-type transparent electrodes

Delafossite crystals are fascinating ternary oxides that have demonstrated transparent conductivity and ambipolar doping. Here we use a high-throughput approach based on density functional theory to find delafossite and related layered phases of composition ABX(2), where A and B are elements of the periodic table, and X is a chalcogen (O, S, Se, and Te). From the 15 624 compounds studied in the trigonal delafossite prototype structure, 285 are within 50 meV/atom from the convex hull of stability. These compounds are further investigated using global structural prediction methods to obtain their lowest-energy crystal structure. We find 79 systems not present in the materials project database that are thermodynamically stable and crystallize in the delafossite or in closely related structures. These novel phases are then characterized by calculating their band gaps and hole effective masses. This characterization unveils a large diversity of properties, ranging from normal metals, magnetic metals, and some candidate compounds for p-type transparent electrodes

On-site magnetization in open antiferromagnetic chains: a classical analysis versus NMR experiments in a spin-1 compound

The response of an open spin chain with isotropic antiferromagnetic interactions to a uniform magnetic field is studied by classical Monte Carlo simulations. It is observed how the induced on-site magnetization is non uniform, due to the occurrence of edge staggered terms which decay exponentially over a distance equal to the zero field correlation length of the infinite chain. The total magnetic moment associated to each staggered term is found to be about half of the original single-spin magnitude and to decrease as the inverse of temperature (i.e. to behave as a Curie-like moment). The numerical results are compared to recent NMR findings in spinless-doped Y(2)BaNiO(5); the remarkable agreement found shows that, for temperatures above the Haldane gap, the classical approach gives a correct picture of the boundary effects observed in the Heisenberg S=1 chain.Comment: 4 pages, 4 eps figures; minor changes in the text; added reference