GROUNDWATER RESOURCES MANAGEMENT IN ARID COUNTRIES

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Fingerprinting the magnetic behavior of antiferromagnetic nanostructures using remanent magnetization curves

Antiferromagnetic (AF) nanostructures from Co3O4, CoO and Cr2O3 were prepared by the nanocasting method and were characterized magnetometrically. The field and temperature dependent magnetization data suggests that the nanostructures consist of a core-shell structure. The core behaves as a regular antiferromagnet and the shell as a two-dimensional diluted antiferromagnet in a field (2d DAFF) as previously shown on Co3O4 nanowires [Benitez et al., Phys. Rev. Lett. 101, 097206 (2008)]. Here we present a more general picture on three different material systems, i.e. Co3O4, CoO and Cr2O3. In particular we consider the thermoremanent (TRM) and the isothermoremanent (IRM) magnetization curves as "fingerprints" in order to identify the irreversible magnetization contribution originating from the shells. The TRM/IRM fingerprints are compared to those of superparamagnetic systems, superspin glasses and 3d DAFFs. We demonstrate that TRM/IRM vs. H plots are generally useful fingerprints to identify irreversible magnetization contributions encountered in particular in nanomagnets.Comment: submitted to PR

Electronic structure and optical properties of lightweight metal hydrides

We study the electronic structures and dielectric functions of the simple hydrides LiH, NaH, MgH2 and AlH3, and the complex hydrides Li3AlH6, Na3AlH6, LiAlH4, NaAlH4 and Mg(AlH4)2, using first principles density functional theory and GW calculations. All these compounds are large gap insulators with GW single particle band gaps varying from 3.5 eV in AlH3 to 6.5 eV in the MAlH4 compounds. The valence bands are dominated by the hydrogen atoms, whereas the conduction bands have mixed contributions from the hydrogens and the metal cations. The electronic structure of the aluminium compounds is determined mainly by aluminium hydride complexes and their mutual interactions. Despite considerable differences between the band structures and the band gaps of the various compounds, their optical responses are qualitatively similar. In most of the spectra the optical absorption rises sharply above 6 eV and has a strong peak around 8 eV. The quantitative differences in the optical spectra are interpreted in terms of the structure and the electronic structure of the compounds.Comment: 13 pages, 10 figure

Reactivity of Metal Catalysts in Glucose–Fructose Conversion

A joint experimental and computational study on the glucose–fructose conversion in water is reported. The reactivity of different metal catalysts (CrCl3, AlCl3, CuCl2, FeCl3, and MgCl2) was analyzed. Experimentally, CrCl3 and AlCl3 achieved the best glucose conversion rates, CuCl2 and FeCl3 were only mediocre catalysts, and MgCl2 was inactive. To explain these differences in reactivity, DFT calculations were performed for various metal complexes. The computed mechanism consists of two proton transfers and a hydrogen-atom transfer; the latter was the rate-determining step for all catalysts. The computational results were consistent with the experimental findings and rationalized the observed differences in the behavior of the metal catalysts. To be an efficient catalyst, a metal complex should satisfy the following criteria: moderate Brønsted and Lewis acidity (pKa=4–6), coordination with either water or weaker σ donors, energetically low-lying unoccupied orbitals, compact transition-state structures, and the ability for complexation of glucose. Thus, the reactivity of the metal catalysts in water is governed by many factors, not just the Lewis acidity

A model for the formation energies of alanates and boranates

We develop a simple model for the formation energies (FEs) of alkali and lkaline earth alanates and boranates, based upon ionic bonding between metal cations and (AlH4)- or (BH4)- anions. The FEs agree well with values obtained from first principles calculations and with experimental FEs. The model shows that details of the crystal structure are relatively unimportant. The small size of the (BH4)- anion causes a strong bonding in the crystal, which makes boranates more stable than alanates. Smaller alkali or alkaline earth cations do not give an increased FE. They involve a larger ionization potential that compensates for the increased crystal bonding.Comment: 3 pages, 2 figure

Tratamiento de efluentes acuosos contaminados con compuestos organoclorados

[ES] Los compuestos organoclorados son un tipo de residuos que han adquirido especial relevancia en los últimos tiempos, debido a sus características tóxicas y peligrosas, tanto para el medio ambiente como para los seres humanos. Su especial peligrosidad ha potenciado la búsqueda de alternativas para su tratamiento en las distintas corrientes donde se presentan. En este artículo se describe la problemática real de este tipo de compuestos, se exponen los principales contaminantes y se muestra una visión general de las alternativas para la eliminación de estos organoclorados de corrientes acuosas, detallándose en profundidad una de las alternativas de eliminación consideradas: la hidrodecloración catalítica en fase acuosa.Padilla Vivas, B.; Díez Sanz, FV.; Ordóñez García, S. (2005). Tratamiento de efluentes acuosos contaminados con compuestos organoclorados. 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Synergies, Strengths and Challenges: Findings on Community Capability from a Systematic Health Systems Research Literature Review

Background: Community capability is the combined influence of a community’s social systems and collective resources that can address community problems and broaden community opportunities. We frame it as consisting of three domains that together support community empowerment: what communities have; how communities act; and for whom communities act. We sought to further understand these domains through a secondary analysis of a previous systematic review on community participation in health systems interventions in low and middle income countries (LMICs). Methods: We searched for journal articles published between 2000 and 2012 related to the concepts of “community”, “capability/participation”, “health systems research” and “LMIC.” We identified 64 with rich accounts of community participation involving service delivery and governance in health systems research for thematic analysis following the three domains framing community capability. Results: When considering what communities have, articles reported external linkages as the most frequently gained resource, especially when partnerships resulted in more community power over the intervention. In contrast, financial assets were the least mentioned, despite their importance for sustainability. With how communities act, articles discussed challenges of ensuring inclusive participation and detailed strategies to improve inclusiveness. Very little was reported about strengthening community cohesiveness and collective efficacy despite their importance in community initiatives. When reviewing for whom communities act, the importance of strong local leadership was mentioned frequently, while conflict resolution strategies and skills were rarely discussed. Synergies were found across these elements of community capability, with tangible success in one area leading to positive changes in another. Access to information and opportunities to develop skills were crucial to community participation, critical thinking, problem solving and ownership. Although there are many quantitative scales measuring community capability, health systems research engaged with community participation has rarely made use of these tools or the concepts informing them. Overall, the amount of information related to elements of community capability reported by these articles was low and often of poor quality. Conclusions: Strengthening community capability is critical to ensuring that community participation leads to genuine empowerment. Our simpler framework to define community capability may help researchers better recognize, support and assess it