Cohesion of BaReH9_9 and BaMnH9_9: Density Functional Calculations and Prediction of (MnH9)2−_9)^{2-} Salts

Density functional calculations are used to calculate the structural and electronic properties of BaReH$_9$ and to analyze the bonding in this compound. The high coordination in BaReH$_9$ is due to bonding between Re 5$d$ states and states of $d$-like symmetry formed from combinations of H $s$ orbitals in the H$_9$ cage. This explains the structure of the material, its short bond lengths and other physical properties, such as the high band gap. We compare with results for hypothetical BaMnH$_9$, which we find to have similar bonding and cohesion to the Re compound. This suggests that it may be possible to synthesize (MnH$_9)^{2-}$ salts. Depending on the particular cation, such salts may have exceptionally high hydrogen contents, in excess of 10 weight

Atopic dermatitis and vitamin D: facts and controversies

Patients with atopic dermatitis have genetically determined risk factors that affect the barrier function of the skin and immune responses that interact with environmental factors. Clinically, this results in an intensely pruriginous and inflamed skin that allows the penetration of irritants and allergens and predisposes patients to colonization and infection by microorganisms. Among the various etiological factors responsible for the increased prevalence of atopic diseases over the past few decades, the role of vitamin D has been emphasized. As the pathogenesis of AD involves a complex interplay of epidermal barrier dysfunction and dysregulated immune response, and vitamin D is involved in both processes, it is reasonable to expect that vitamin D's status could be associated with atopic dermatitis' risk or severity. Such association is suggested by epidemiological and experimental data. in this review, we will discuss the evidence for and against this controversial relationship, emphasizing the possible etiopathogenic mechanisms involved.Univ Brasilia UNB, Brasilia, DF, BrazilFed Dist Hlth State Dept SES DF, Brasilia, DF, BrazilUniv Brasilia HUB UNB, Brasilia Univ Hosp, Brasilia, DF, BrazilSão Paulo Fed Univ UNIFESP, Brasilia, DF, BrazilSão Paulo Fed Univ UNIFESP, Brasilia, DF, BrazilWeb of Scienc

Electronic Structure of KMgH3\text{}_{3}, KMgH2\text{}_{2}F, KMgF3\text{}_{3} with the Perovskite Structure

The electronic structures of fluoroperovskite KMgF$\text{}_{3}$, hydridoperovskite KMgH$\text{}_{3}$ and the dihydrido-fluoro derivated KΜgH$\text{}_{2}$F have been investigated. The energy bands, density of electronic states and partial wave analysis of the density of electronic states have been determined by means of the non-self-consistent augmented plane wave method with the von Barth-Hedin parametrization for the exchange-correlation term. Our results indicate that all three compounds are ionic insulators. Replacing the hydrogen atom by fluorine atom leads to increasing in the energy gap

New national and regional bryophyte records, 45

Fil: Suarez, Guillermo Martin. Universidad Nacional de Tucumán. Facultad de Ciencias Naturales e Instituto Miguel Lillo; Argentina. Consejo Nacional de Investigaciones Científicas y Técnicas; ArgentinaFil: Flores, Jorge Rafael. Universidad Nacional de Tucumán. Facultad de Ciencias Naturales e Instituto Miguel Lillo; Argentina. Consejo Nacional de Investigaciones Científicas y Técnicas; ArgentinaFil: Ellis, L. T.. Natural History Museum; Reino UnidoFil: Ah Peng, C.. Université de La Réunion; FranciaFil: Aranda, S. C.. Museo Nacional de Ciencias Naturales; EspañaFil: Bednarek Ochyra, H.. Polish Academy of Sciences; PoloniaFil: Borovichev, E. A.. Russian Academy of Sciences; Rusia. Problems of the North 6 of the Kola Science Center of RAS; RusiaFil: Cykowska Marzencka, B.. Polish Academy of Sciences; PoloniaFil: Duarte, M. C.. Instituto de Investigação Científica Tropical; PortugalFil: Enroth, J.. University of Helsinki; Finlandia. Finnish Museum of Natural History; FinlandiaFil: Erzberger, P.. No especifica;Fil: Fedosov, V.. Lomonosov Moscow State University; RusiaFil: Fojcik, B.. University of Silesia; PoloniaFil: Gabriel, R.. Universidade dos Açores; PortugalFil: Coelho, M. C. M.. Universidade dos Açores; PortugalFil: Henriques, D. S. G.. Universidade dos Açores; PortugalFil: Ilina, O. V.. Interregional Nature Conservancy; RusiaFil: Gil Novoa, J. E.. Museum National D; FranciaFil: Morales Puentes, M. E.. Universidad Pedagogica y Tecnologica de Colombia; ColombiaFil: Gradstein, S. R.. Museum National D; FranciaFil: Gupta, R.. CSIR-National Botanical Research Institute; IndiaFil: Nath, V.. CSIR-National Botanical Research Institute; IndiaFil: Asthana, A. K.. CSIR-National Botanical Research Institute; IndiaFil: Koczur, A.. Polish Academy of Sciences; PoloniaFil: Lebouvier, M.. Universite de Rennes I; FranciaFil: Mesterházy, A.. No especifica;Fil: Mogro, F.. No especifica;Fil: Mezaka, A.. Rezekne Higher Education Institution; LetoniaFil: Németh, Cs.. Corvinus University Budapest; HungríaFil: Orgaz, J. D.. Hiroshima University; Japó

New national and regional bryophyte records, 45

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