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Avila M.,Research Center en Ciencia Aplicada y Tecnologia | Vargas C.,Research Center en Ciencia Aplicada y Tecnologia | Yee-Madeira H.,Escuela Superior de Fisica y Matematicas Del IPN UP ALM | Reguera E.,Research Center en Ciencia Aplicada y Tecnologia | Reguera E.,University of Habana
Zeitschrift fur Anorganische und Allgemeine Chemie | Year: 2010

The studied compounds were prepared by the precipitation method mixing Ti + in concentrated HCl with aqueous solution of [M(CN)6] where M = Fe, Ru, Os. The formed solids, Ti3Cl[M(CN)6]2·10H 2O, were characterized by IR spectroscopy, X-ray diffraction, thermogravimetry, Mössbauer spectroscopy, energy-disperse X-ray spectroscopy, UV/Vis spectroscopy, adsorption data, and chemical analyses. Their crystal structures were solved and refined from the recorded X-ray powder patterns in the Fm3m space group. This series of compounds has a porous framework with a relatively high free volume, which is occupied by coordinated and hydrogen bonded water molecules. The charge balancing Cl- ion was found coordinated to titanium atoms. This series of porous solids was studied in order to explore the hydrogen interaction with the titanium atoms found at the surface of the cavities. On the water removal by moderate heating their porous framework collapses as reveal the nitrogen, CO2, and hydrogen adsorption but without complex salt decomposition. On the solids rehydration the porous framework is partially restored. © 2010 WILEY-VCH Verlag GmbH & Co. KGaA, Weinheim. Source


Morera-Boado C.,University of Habana | Reyes-Retana J.A.,Ibero-American University of Mexico | Avila M.,Research Center en Ciencia Aplicada y Tecnologia | Zumeta I.,Research Center en Ciencia Aplicada y Tecnologia | And 2 more authors.
Computational Materials Science | Year: 2016

The adsorption of H2 inside the largest cavity of the anhydrous cubic phases Ni[Fe(CN)5NO] and Co[Fe(CN)5NO] has been analyzed using density functional theory. The H2-host interactions, geometries and electronic properties have been studied from first principle calculations. The effect of the charged cavities has also been analyzed with increasing numbers of H2 molecules inside these materials. The largest adsorption energies were obtained for the charged cubic-Co cavity with six hydrogen molecules. The analysis of bands and projected density of states demonstrates the existence of the Kubas-type interaction in both charged Ni and Co cubic cavities. Atom in Molecules analysis shows important non-covalent interactions such as H...H, H...C and H...N while NBO helps to understand the experimental trends in νC-N stretching frequencies. Theoretical phonons analysis reveals the Kubas-type interaction and is in agreement with experimental IR-spectra of these solids. © 2015 Elsevier B.V. All rights reserved. Source


Hernandez-Estrada Z.J.,CINVESTAV | Rayas-Duarte P.,Oklahoma State University | Figueroa J.D.C.,CINVESTAV | Morales-Sanchez E.,Research Center en Ciencia Aplicada y Tecnologia
Journal of Food Engineering | Year: 2014

The effects of high molecular weight-glutenin subunits on creep and recovery viscoelasticity of fully developed dough were investigated. The components of a Kelvin-Voigt model were used to evaluate viscoelasticity contributions and correlations. Elastic moduli of wheat dough G1 and G2 of specific glutenins correlated with quality indicators while shear modulus G0 seem to contribute in a lower extent. Glu-D1 5 + 10 showed higher elasticity in G0, G1 and G2 compared to Glu-D1 2 + 12. Glu-B1 17 + 18 presented higher elasticity for G 0, G1 and G2 compared to 7 + 8 and 7 + 9. Viscosity η0 showed higher correlation than viscosity (η1 and η2) indicating that the two factors were important in explaining swelling capacity of proteins η2 and viscosity of non-gluten components η0 in dough. Viscosities η0, η1 and η2 were higher in 5 + 10 and 17 + 18 compared to the other compositions. Viscosity η1 seems to play minor role. Protein and wet gluten were significantly correlated indicating that dough viscoelasticity is related to glutenin composition. © 2014 Published by Elsevier Ltd. Source

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