Interaction of water with the gypsum (010) surface: Structure and dynamics from nonlinear vibrational spectroscopy and Ab initio molecular dynamics

Water-mineral interfaces are important for several environmental, industrial, biological, and geological processes. Gypsum, CaSO 4 ·2H 2 O, is a widespread mineral of high technological, medical, and environmental relevance, but little is known about its surface structure and its interaction with water. A molecular-level understanding of gypsum/water interface is given here by a combined experimental/theoretical study. We investigate the structure and dynamics of water adsorbed from vapor on the gypsum (010) single-crystal surface at room temperature, combining sum-frequency generation (SFG) vibrational spectroscopy experiments and ab initio molecular dynamics (AIMD) simulations. The SFG spectra of gypsum at low relative humidity (RH) show an anisotropic arrangement of structural water molecules and the presence of dangling OH groups. The AIMD simulations allow a detailed assignment of the SFG spectra and show that the cleaved (010) surface rearranges to have only 25% of the OH groups pointing away from the surface. At higher RHs, the first adsorbed water layer binds to these OH groups and forms an anisotropic arrangement, but with the amount of free OH groups significantly suppressed and without any significant diffusion. Upon adsorption of a second water layer, although the topmost layer of molecules is more disordered and dynamic than the previous one, its structure is still influenced by the gypsum surface underneath because it has a much reduced amount of free OH groups with respect to the free surface of water, and a slower surface diffusion with respect to bulk water. The theoretical results corroborate the experimental ones and provide an accurate atomic characterization of the surface structure.Fil: Santos, Jaciara C. C.. Universidade de Sao Paulo; BrasilFil: Negreiros Ribeiro, Fábio. Universidade Federal Do Abc; Brasil. Consejo Nacional de Investigaciones Científicas y Técnicas. Centro Científico Tecnológico Conicet - Córdoba. Instituto de Investigaciones en Físico-química de Córdoba. Universidad Nacional de Córdoba. Facultad de Ciencias Químicas. Instituto de Investigaciones en Físico-química de Córdoba; ArgentinaFil: Pedroza, Luana S.. Universidade Federal Do Abc; BrasilFil: Dalpian, Gustavo M.. Universidade Federal Do Abc; BrasilFil: Miranda, Paulo B.. Universidade de Sao Paulo; Brasi

Elaboração e Caracterização de cookie com adição de farinha do mesocarpo do fruto do Marizeiro, Geoffroea spinosa

The Marizeiro (Geoffroea spinosa) is a plant of the savanna biome, vegetation characteristics in the Northeast of Brazil, which was already considered a good food source. The fruit of Marizeiro, Mari, has good sources of protein and sugars and low in lipids. For its nutritional characteristics, mesocarp flour Mari emerges as highly desirable food ingredient to enrich other foods. The aim of our study was to get a cookie type cookie enriched flour mesocarp of the fruit of Mari, evaluate their physical, chemical and microbiological characteristics. The data of the physical-chemical characterization showed excellent levels of protein samples for 5% F2 and F3 with 10% flour Mari flesh of the fruit ranged, respectively, from 3.7 to 8.6%. With regard to moisture, ash, pH and acidity, all levels were within standards set by Brazilian law. Microbiological analysis showed no presence of Salmonella and Staphylococcus, and growth of Total Coliforms found themselves within the standards set by law. The cookie type biscuits enriched characterized as functional food to be rich in minerals and proteins due to the formulation ingredients.O Marizeiro (Geoffroea spinosa) é uma planta originária do bioma Caatinga, vegetação características da Região Nordeste do Brasil, que já fora considerada uma boa fonte de alimento. O fruto do Marizeiro, Mari, possui boas fontes de proteínas e açucares e baixo teor de lipídios. Por suas características nutricionais, a farinha do mesocarpo do Mari desponta como ingrediente alimentar altamente desejável para enriquecer outros alimentos. O objetivo do nosso trabalho foi obter um biscoito tipo cookie enriquecido com a farinha do mesocarpo do fruto do Mari, avaliar suas características físico-químicas e microbiológicas. Os dados da caracterização físico-químico revelaram excelentes níveis proteicos para as amostras F2 com 5% e F3 com 10% de farinha do mesocarpo do fruto do Mari que variou, respectivamente, de 3,7 à 8,6%. Com relação às análises de acidez, umidade e cinzas todos os teores estão dentro dos padrões constantes na legislação brasileira. As análises microbiológicas indicaram não haver a presença de Salmonella sp e Estafilococos coagulase positiva, o crescimento de Coliformes a 35oC encontraram-se dentro dos padrões estabelecidos pela legislação vigente. Os biscoitos tipo cookie enriquecidos se caracterizaram como alimento funcional por serem ricos em minerais e proteínas devido aos ingredientes da formulação

Structure and histochemistry of medicinal species of Solanum

Studies on native medicinal plants strengthen initiatives to preserve the environments where those species naturally occur, many of them already strongly menaced even before their potential to humankind is known. Root and stem barks, leaves, and pericarps samples of Solanum agrarium Sendtn., S. lycocarpum A. St.-Hil., S. palinacanthum Dunal, S. paniculatum L., and S. stipulaceum Roem. & Schult., species that occur in the Cerrado (Brazililan savanna) were processed according to common light microscopy techniques for structural analysis, and histochemical tests were performed to locate and identify classes of chemical compounds. The distinctive features identified were low concentration of crystal sand in the root and stem, presence of terpene resin in the root, and absence of hypodermis in the leaf, in S. agrarium; bright spots (group of sclereids) in the root, isobilateral mesophyll, thickened cell walls with hemicelluloses and strong aroma in the fruit, in S. lycocarpum; high concentration of crystal sand in the root and stem, oval-shaped limb, presence of isolated crystals in the exocarp, in S. palinacanthum; strong sclerification and rays with great height in the root and stem, in S. paniculatum; and accumulation of soluble protein in the root and stem, presence of conspicuous membranaceous stipules, absence of spiniform trichomes, in S. stipulaceum. This work identifies distinctive structural features, its ecological importance, and determines the distribution of secondary compounds associated with the medicinal properties reported for these species and contributes to the conservation of the natural environments where they occur. Keywords: Environmental conservation, Herbal medicine, Plant drug, Pharmacognosy, Phytochemical, Traditional medicin

SURMOF Devices Based on Heteroepitaxial Architectures with White-Light Emission and Luminescent Thermal-Dependent Performance

A new set of Ln-MOF (lanthanide-metal-organic framework) thin films, known as Ln-SURMOFs (surface-supported MOFs), is fabricated with a layer-by-layer, in order to generate solid-state white-lighting devices. A three-component approach is carried out for a rational combination of red, green, and blue (RGB) emitting Eu3+, Tb3+, and Gd3+ containing layers in order to achieve white-light emission. The Ln-SURMOFs are fully characterized by powder X-ray diffraction, infrared reflection–absorption spectroscopy, scanning electron microscopy, and photoluminescence spectroscopy (excitation-emission and chromaticity determination according to Commission International de l'Eclairage, CIE). The devices show CIE x,y coordinates of almost ideal white light (0.331, 0.329), as well as a correlated color temperature of 5570 K. Besides, the temperature dependent performance of the RGB-SURMOFs is studied at room temperature and at 77 K.Fil: Chen, Dong Hui. Karlsruher Institut fur Technologie; AlemaniaFil: Sedykh, Alexander. Justus Liebig Universitat Giessen; AlemaniaFil: Gomez, Germán Ernesto. Consejo Nacional de Investigaciones Científicas y Técnicas. Centro Científico Tecnológico Conicet - San Luis. Instituto de Investigaciones en Tecnología Química. Universidad Nacional de San Luis. Facultad de Química, Bioquímica y Farmacia. Instituto de Investigaciones en Tecnología Química; ArgentinaFil: Neumeier, Beatrice Lilli. Karlsruher Institut fur Technologie; AlemaniaFil: Santos, Jaciara C. C.. Karlsruher Institut fur Technologie; AlemaniaFil: Gvilava, Vasily. Karlsruher Institut fur Technologie; Alemania. Universitat Dusseldorf; AlemaniaFil: Maile, Ruben. Justus Liebig Universitat Giessen; AlemaniaFil: Feldmann, Claus. Karlsruher Institut fur Technologie; AlemaniaFil: Wöll, Christof. Karlsruher Institut fur Technologie; AlemaniaFil: Janiak, Christoph. Universitat Dusseldorf; AlemaniaFil: Müller Buschbaum, Klaus. Justus Liebig Universitat Giessen; AlemaniaFil: Redel, Engelbert. Karlsruher Institut fur Technologie; Alemani

Antibacterial activity of Minquartia guianensis extracts and phytochemical evaluation

The species Minquartia guianensis (Olacaceae) is found in the Amazon region and also in Nicarágua, Panamá and Costa Rica. Indigenous people from Ecuador use the bark infusion for intestinal infections treatment caused by parasites, against muscular pain and cutaneous irritations. For this reason, the aim of this work was to evaluate the antibacterial activity of M. guianensis extracts over Gram-negative (Shigella flexneri M90T, Salmonella choleraesuis 6958, Escherichia coli E2348/69) and Gram-positive bacteria (Methicillin-Resistant Staphylococcus aureus 33591, Methicillin-Sensible Staphylococcus aureus 25923, Bacillus cereus 9634, Bacillus liquefaciens clinical isolated). These bacteria are diarrhea related, which causes several child death in tropical regions. The active extract is under fractionation (leaf DCM) and until now, four triterpene were isolated lupeol, taraxerol, lupenona and squalene, but it was not possible yet to assay the substances, because of their small amount