Rhodium-catalysed enantioselective C-H functionalization in asymmetric synthesis

Examining the growth and evolution of magnetic fields in clusters of galaxies: a numerical perspective

Magnetic fields are ubiquitous in galaxy cluster atmospheres and have a variety of astrophysical and cosmological consequences. Magnetic fields can contribute to the pressure support of clusters, affect thermal conduction, and modify the evolution of bubbles driven by active galactic nuclei. However, we currently do not fully understand the origin and evolution of these fields throughout cosmic time. Furthermore, we do not have a general understanding of the relationship between magnetic field strength and topology and other cluster properties, such as mass and X-ray luminosity. We can now begin to answer some of these questions using large-scale cosmological magnetohydrodynamic (MHD) simulations of the formation of galaxy clusters including the seeding and growth of magnetic fields. Using large-scale cosmological simulations with the FLASH code combined with a simplified model of the acceleration of cosmic rays responsible for the generation of radio halos, we find that the galaxy cluster frequency distribution and expected number counts of radio halos from upcoming low-frequency sur- veys are strongly dependent on the strength of magnetic fields. Thus, a more complete understanding of the origin and evolution of magnetic fields is necessary to understand and constrain models of diffuse synchrotron emission from clusters. One favored model for generating magnetic fields is through the amplification of weak seed fields in active galactic nuclei (AGN) accretion disks and their subsequent injection into cluster atmospheres via AGN-driven jets and bubbles. However, current large-scale cosmological simulations cannot directly include the physical processes associated with the accretion and feedback processes of AGN or the seeding and merging of the associated SMBHs. Thus, we must include these effects as subgrid models. In order to carefully study the growth of magnetic fields in clusters via AGN-driven outflows, we present a systematic study of SMBH and AGN subgrid models. Using dark-matter only cosmological simulations, we find that many important quantities, such as the relationship between SMBH mass and galactic bulge velocity dispersion and the merger rate of black holes, are highly sensitive to the subgrid model assumptions of SMBHs. In addition, using MHD calculations of an isolated cluster, we find that magnetic field strengths, extent, topology, and relationship to other gas quantities such as temperature and density are also highly dependent on the chosen model of accretion and feedback. We use these systematic studies of SMBHs and AGN inform and constrain our choice of subgrid models, and we use those results to outline a fully cosmological MHD simulation to study the injection and growth of magnetic fields in clusters of galaxies. This simulation will be the first to study the birth and evolution of magnetic fields using a fully closed accretion-feedback cycle, with as few assumptions as possible and a clearer understanding of the effects of the various parameter choices.

Stoichiometry dependence of the evolution of the irradiated-induced defect clusters in lanthanum-doped ceria

To study the stoichiometry dependence of irradiation e ects in fluorite-type mixed oxide nuclear fuel (UPuO2), ion implantation in La doped ceria was used. Cerium dioxide single crystals with 0 mol%, 5 mol% and 25 mol% La concentration were irradiated with 1 MeV Kr ions at 800 C. In-situ transmission electron microscope (TEM) was utilized to observe the the damage process and defects created by the ion beam irradiation. Dislocation loops were observed after irradiation and were determined to be on {111} planes, but not on {220} or {200} planes. Ab substantial difference in the average size of dislocation loops for 0 %, 5% and 25% cases was observed at several doses.The growth rate of dislocation loops and the oxygen vacancy di usivity were found to be inversely correlated.

Release currents of IP₃ receptor channel clusters and concentration profiles

We simulate currents and concentration profiles generated by Ca2+ release from the endoplasmic reticulum (ER) to the cytosol through IP3 receptor channel clusters. Clusters are described as conducting pores in the lumenal membrane with a diameter from 6 nm to 36 nm. The endoplasmic reticulum is modeled as a disc with a radius of 1–12 mm and an inner height of 28 nm. We adapt the dependence of the currents on the trans Ca2+ concentration (intralumenal) measured in lipid bilayer experiments to the cellular geometry. Simulated currents are compared with signal mass measurements in Xenopus oocytes. We find that release currents depend linearly on the concentration of free Ca2+ in the lumen. The release current is approximately proportional to the square root of the number of open channels in a cluster. Cytosolic concentrations at the location of the cluster range from 25 μM to 170 μM. Concentration increase due to puffs in a distance of a few micrometers from the puff site is found to be in the nanomolar range. Release currents decay biexponentially with timescales of < 1 s and a few seconds. Concentration profiles decay with timescales of 0.125–0.250 s upon termination of release.

Herramienta para la representación 3D, usando WebGL, de clusters de supercomputación

Este Trabajo de Fin de Grado constituye el primero en una línea de Trabajos con un objetivo común: la creación de una aplicación o conjunto de aplicaciones que apoye a la administración de un cluster de supercomputación mediante una representación en tres dimensiones del mismo accesible desde un navegador. Esta aplicación deberá ser de fácil manejo para el personal que haga uso de ella, que recibirá información procedente de distintas fuentes sobre el estado de cada uno de los dispositivos del cluster. Concretamente, este primer Trabajo se centra en la representación gráfica del cluster mediante WebGL, el estándar para renderizado 3D en navegadores basado en OpenGL, tomando como modelo de desarrollo el SCBI (Centro de Supercomputación y Bioinnovación) de la Universidad de Málaga. Para ello, se apoyará en la creación de una herramienta con la que describir texualmente de forma intuitiva los elementos de una sala de supercomputadores y los datos asociados a los mismos. Esta descripción será modificable para adaptarse a las necesidades del administrador de los datos.

Benchmarking Density Functional Based Tight-Binding for Silver and Gold Materials: From Small Clusters to Bulk

International audience

Reactive clusters on a membrane

We investigate the reaction dynamics of diffusive molecules with immobile binding partners. The fixed reactants build clusters that comprise just a few tens of molecules, which leads to small cluster sizes. These molecules participate in the reaction only if they are activated. The dynamics of activation is mapped to a time-dependent size of an active region within the cluster. We focus on the deterministic description of the dynamics of a single cluster. The spatial setup accounts for one of the most important determinants of the dynamics of a cluster, i.e. diffusional transport of reaction partners toward or away from the active region of the cluster. We provide numerical and analytical evidence that diffusion influences decisively the dynamic regimes of the reactions. The application of our methods to intracellular Ca²⁺ dynamics shows that large local concentrations saturate the Ca²⁺ feedback to the channel state control. That eliminates oscillations depending on this feedback.

Stable spike clusters for the one-dimensional Gierer-Meinhardt system

We consider the Gierer-Meinhardt system with precursor inhomogeneity in a one-dimensional interval. A spike cluster is the combination of several spikes which all approach the same point in the singular limit of small activator diffusivity. We rigorously prove the existence of a steady-state spike cluster consisting of N spikes near a non-degenerate local minimum point of the smooth inhomogeneity, where N is an arbitrary positive integer. Further, we show that this solution is linearly stable. We explicitly compute all eigenvalues, both large (of order O(1)) and small (of order o(1)). The main features of studying the Gierer-Meinhardt system in this setting are as follows: (i) it is biologically relevant since it models a hierarchical process (pattern formation of small-scale structures induced by a pre-existing large-scale inhomogeneity), (ii) it contains three different spatial scales two of which are small. (iii) all the expressions can be made explicit and often have a particularly simple form.

As dinâmicas dos clusters como potenciadoras da competitividade empresarial regional : o caso do cluster hortícola do Ribatejo & Oeste : análise comparativa com Almeria (Espanha)

Mestrado em Gestão e Estratégia Industrial

Creativity, Clusters and the Competitive Advantage of Cities

Purpose – This paper aims to marry Michael Porter’s industrial cluster theory of traded and local clusters to Richard Florida’s occupational approach of creative and routine workers to gain a better understanding of the process of economic development. Design/methodology/approach – Combining these two approaches, four major industrial-occupational categories are identified. The shares of US employment in each – creative-in-traded, creative-in-local, routine-in-traded and routine-in-local – are calculated, and a correlation analysis is used to examine the relationship of each to regional economic development indicators. Findings – Economic growth and development is positively related to employment in the creative-in-traded category. While metros with a higher share of creative-in-traded employment enjoy higher wages and incomes overall, these benefits are not experienced by all worker categories. The share of creative-in-traded employment is also positively and significantly associated with higher inequality. After accounting for higher median housing costs, routine workers in both traded and local industries are found to be relatively worse off in metros with high shares of creative-in-traded employment, on average. Social implications – This work points to the imperative for the US Government and industry to upgrade routine jobs, which make up the majority of all employment, by increasing the creative content of this work. Originality/value – The research is among the first to systematically marry the industry and occupational approaches to clusters and economic development.

ENCADENAMIENTOS PRODUCTIVOS Y CLUSTERS: UNA ESTRATEGIA PARA FORTALECER LAS MICRO Y PEQUEÑAS EMPRESAS DEL TURISMO RURAL

Los modelos de gestión empresarial deben estar en constante actualización según las diversas exigencias del entorno globalizador, razón por la cual, las micro y pequeñas empresas requieren de una visión estratégica y de  generación de calidad y oportunidad en los productos y servicios que deben ofrecer.  Para esto, requiere una capacidad de romper los paradigmas de gestión que le funcionaron en otros momentos de la historia, para poder enfrentar las exigencias del entorno actual. Dentro de éste escenario de mercado, se encuentran muchas micro y pequeñas empresas dedicadas a la actividad del turismo, y particularmente del turismo rural, sector que es uno de los más dinámico en las economías que han generado estrategias para estimularlo y conservarlo; unas de esas estrategias de organización son la conformación de clusters y los encadenamientos productivos, los cuales son empresas que se encuentran dentro de un mismo sector y en una determinada zona geográfica, con el propósito de optimizar sus recursos y brindar servicio integrado y mejor al segmento de mercado que atienden.Palabras claves: Turismo rural, clusters, encadenamientos productivos, micro y pequeñas empresas, gestión turística.Abstracts: Business management models must be under continuous updating to keep up with the different requirements from a globalizing environment.  For this reason micro and small businesses need a strategic vision and the generation of quality and opportunity in the products and services they must offer.  To accomplish this end, they need the capacity to break management models that worked in other times of history, to be able to meet all the challenges from the current environment.  It is within this market scenario that many micro and small businesses are found, businesses that are dedicated to the activity of tourism, and particularly rural tourism, a sector which happens to be one of the most dynamic in the economies that have generated strategies to stimulate it and keep it; one of these organization strategies are the design of clusters and productive chains, that are those businesses found within one single sector and in a particular geographical region, in order to optimize its resources and be able to give an integrated and better service to the market segment they serve.Key words: Rural, tourism., clusters, productive chains, micro and small businesses., tourism management.

Chemical characteristics of the clusters and production of 'BRS Clara' grapevine under protected cultivation during out of season crop.

2011