Intercalation of paracetamol into the hydrotalcite-like host

Science.gov (United States)

Kovanda, František; Maryšková, Zuzana; Kovář, Petr

2011-12-01

Hydrotalcite-like compounds are often used as host structures for intercalation of various anionic species. The product intercalated with the nonionic, water-soluble pharmaceuticals paracetamol, N-(4-hydroxyphenyl)acetamide, was prepared by rehydration of the Mg-Al mixed oxide obtained by calcination of hydrotalcite-like precursor at 500 °C. The successful intercalation of paracetamol molecules into the interlayer space was confirmed by powder X-ray diffraction and infrared spectroscopy measurements. Molecular simulations showed that the phenolic hydroxyl groups of paracetamol interact with hydroxide sheets of the host via the hydroxyl groups of the positively charged sites of Al-containing octahedra; the interlayer water molecules are located mostly near the hydroxide sheets. The arrangement of paracetamol molecules in the interlayer is rather disordered and interactions between neighboring molecules cause their tilting towards the hydroxide sheets. Dissolution tests in various media showed slower release of paracetamol intercalated in the hydrotalcite-like host in comparison with tablets containing the powdered pharmaceuticals.

Synthesis and structural transformations of hydrotalcite-like materials Mg-Al and Zn-Al

NARCIS (Netherlands)

Prihod'ko, R.V.; Sychev, M.V.; Astrelin, I.M.; Erdmann, K.; Mangel, A.; Santen, van R.A.

2001-01-01

Mg-Al and Zn-Al hydrotalcite-like layered double hydroxides of various compositions were synthesized and characterized. A detailed comparative analysis of the structure and composition of starting and reconstructed layered double hydroxides was made

Immobilization of kojic acid in ZnAl-hydrotalcite like compounds

Science.gov (United States)

Ambrogi, Valeria; Perioli, Luana; Nocchetti, Morena; Latterini, Loredana; Pagano, Cinzia; Massetti, Elena; Rossi, Carlo

2012-01-01

Kojic acid (KOJ) is a melanin synthesis inhibitor widely used as skin lightening agent in topical preparations. Unfortunately it is easily susceptible to photo-oxidation, phenomenon responsible for chemical and organoleptic modifications. The aim of this work was the intercalation of KOJ in hydrotalcite-like compounds (HTlc) in order to stabilize KOJ and to reduce its photolability. Hydrotalcite containing Zn and Al (ZnAl-HTlc) was used as host to obtain the final compound ZnAl-HTlc-KOJ. The intercalation was carried out, after many attempts, by ionic exchange mechanism by means of the strong base EtO- in anhydrous ethanol/dimethylsulfoxide (DMSO) mixture as solvent in order to generate KOJ- anions. The final product was characterized by the X-ray powder diffraction (XRPD), FT-IR spectroscopy, thermogravimetric analysis (TGA), differential scanning calorimetry (DSC) and elemental analysis. The intercalated compound was formulated in a siliconic water free self-emulsifying ointment and the in vitro release profile was evaluated. All samples (intercalation compound and its formulation) were submitted also to spectrophotometric assays in order to evaluate the matrix protective effect towards ultraviolet rays.

Effect of the Mg/Al Ratio on Activated Sol-Gel Hydrotalcites for Photocatalytic Degradation of 2,4,6-Trichlorophenol

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Esthela Ramos-Ramírez

2017-01-01

Full Text Available Currently, interest has grown in finding effective solutions for the treatment of water pollution by toxic compounds. Some of the latter that have acquired importance are phenols and chlorophenols, due to their employment in the manufacture of pesticides, insecticides, cords of wood, paper industry, among others. The problem is rooted in that these compounds are very persistent in the environment because they are partially biodegradable and cannot be photodegraded directly by sunlight. Chlorophenols are extremely toxic, especially 2,4,6-trichlorophenol, which is potentially carcinogenic. In this work, Mg/Al-mixed oxide catalysts were obtained from the thermal treatment of hydrotalcite-type materials, synthesized by sol-gel method with different Mg/Al ratios. Hydrotalcites and Mg/Al-mixed oxides were physicochemically characterized by X-ray diffraction, thermal analysis (DTA and TGA, and N2 physisorption. The results were obtained on having proven the photocatalytic degradation of 2,4,6-trichlorophenol as a pollutant model by water. The catalysts obtained present the hydrotalcite phase with thermal evolution until achieving Mg/Al-mixed oxides at 500°C. The catalysts are of mesoporous materials and exhibiting large surface areas. The catalysts demonstrated good photocatalytic activity with good efficiency, reaching degradation percentages with Mg/Al = 1, 2, 4, 5, and 7 ratios of 94.2, 92.5, 86.2, 84.2, and 63.9%, respectively, until achieving mineralization.

Sorption of phosphates and thiocyanates on isomorphic substituted Mg/Zn–Al-type hydrotalcites

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RODICA PODE

2008-08-01

Full Text Available The sorption equilibriums of phosphate and thiocyanate anions on isomorphic substituted Mg/Zn–Al-type hydrotalcites were investigated in this study. Langmuir and Freundlich isotherms were used to interpret the equilibrium data for phosphate. The sorption equilibriums of phosphate on Mg3Al, Mg2ZnAl and Mg1.5Zn1.5Al hydrotalcites were well described by the Langmuir isotherm. The highest maximum sorption capacities for these adsorbents were as follows: 111, 101 and 95 mg g-1. The equilibrium constant and standard Gibbs energy changes were also calculated from the sorption data. Standard Gibbs energy changes of about –20 kJ mol-1 indicated that the process might be considered as physical adsorption. The sorption equilibriums of phosphate on isomorphic substituted samples of MgZn2Al and Zn3Al were well described by the Freundlich isotherm. Thiocyanate showed a relative low affinity for the studied materials, as indicated by both the “S”-shaped isotherms and low sorption capacities. The sorption of phosphate and thiocyanate on the investigated hydrotalcites showed a continuous decrease of the sorption capacity in the following order: Mg3Al > Mg2ZnAl > Mg1.5Zn1.5Al > MgZn2Al > Zn3Al.

Mixed methanol/ethanol on transesterification of waste cooking oil using Mg/Al hydrotalcite catalyst

International Nuclear Information System (INIS)

Ma, Yingqun; Wang, Qunhui; Zheng, Lu; Gao, Zhen; Wang, Qiang; Ma, Yuhui

2016-01-01

Biodiesel production from waste cooking oil using calcined Mg/Al HT (hydrotalcite) as heterogeneous catalyst was investigated. This study describes the calcined Mg/Al HT prepared under optimal conditions to catalyse waste cooking oil for biodiesel preparation and proposes a plausible catalysis mechanism. The catalysts were characterised by Fourier Transform-Infrared, X-ray diffraction, Thermal Gravity Analysis-Differential thermal gravity and Brunner−Emmet−Teller measurements. Hydrotalcite with Mg/Al ratio of 3:1 showed a uniform mesoporous structure, excellent crystallinity, high surface area (270.5 m 2 /g) and good catalytic activity (at 500 °C calcination). The highest biodiesel yield obtained was 95.2% under optimised conditions of alcohol/oil molar ratio of 6:1, methanol/ethanol molar ratio of 4:2, catalyst content of 1.5%, reaction time of 2.5 h, reaction temperature of 80 °C. Mixed methanol/ethanol showed good synergistic effects as an ester exchange agent, and the catalyst was easily separated and recycled. Therefore, Mg/Al hydrotalcite can effectively catalyse waste cooking oil for biodiesel preparation with mixed methanol/ethanol. - Highlights: • Mg/Al hydrotalcite filtered and stirred with acetone has the better dispersion. • Mg/Al hydrotalcite used as catalyst to prepare biodiesel. • Catalytic mechanism of Mg/Al hydrotalcite was investigated. • Mixed Methanol/Ethanol used as transesterification agent to prepare biodiesel. • Regenerative catalyst was assessed to make catalyst reuse well.

Behavior of methyl orange and orange 10 (orange G) in the presence of hydrotalcite type compounds of Mg/Al and Mg/Fe; Comportamiento de naranja de metilo y naranja 10 (orange G) en presencia de compuestos tipo hidrotalcita de mg/Al y Mg/Fe

Energy Technology Data Exchange (ETDEWEB)

Cruz N, G.

2015-07-01

This work is focused on studying the sorption capacity of methyl orange dye (Nm) and orange 10 (N-10) in the presence of hydrotalcite type compounds of Mg/Al and Mg/Fe uncalcined and calcined previously at 500 degrees Celsius. Sorption isotherms were determined and the study of the kinetics of sorption was performed. The materials were characterized before and after sorption processes of these dyes by X-ray diffraction, scanning electron microscopy, the specific surface area determination by the Brunauer-Emmett-Teller method, thermogravimetry coupled to mass and infrared spectrometry. The hydrotalcite type compounds reported in this paper were prepared in the laboratory and their acronyms are: HTMgAlG1, HTMgAlMO, HTMgFeG1 and HTMgFeG2. Note that in this work the best conditions for preparing compounds of Mg/Fe were found. From patterns of X-ray diffraction was identified the typical crystal structure of the hydrotalcite type compounds. By scanning electron microscopy the morphology could be determined in the form of flakes characteristics of these compounds. Likewise with elemental analysis of energy dispersive X-ray spectroscopy the presence of Mg, Al, Fe and C, elements of interest for this study was determined. The compounds presented a specific surface area relatively high from 80 to 120 m{sup 2}/g. Thermogravimetry results presented spectra of mass loss very characteristic associated to water losses, dehydroxylation and decarboxylation. The characteristic bands of water and carbonate were assigned by infrared spectroscopy and the bands corresponding to the dyes sulfonates were identified only for the calcined materials. The sorption capacities found of these compounds were as follows: for Nm in the compound HTMgAlG1 uncalcined was 17.82 mg/g for an initial concentration of 200 mg/L and for calcined (HTMgAlMOcal) of 99.8 mg/g with and initial concentration of 1000 mg/L. Moreover, the sorption capacity of the dye N-10 in this same material was 17.92 mg/g and 99

Heating stage Raman and infrared emission spectroscopic study of the dehydroxylation of synthetic Mg-hydrotalcite

International Nuclear Information System (INIS)

Kloprogge, J.T.; Hickey, L.; Frost, R.L.

1998-01-01

Full text: Hydrotalcites, also described as anionic clays or layered double hydroxides (LDH), form an important group of compounds because of their catalytic (basic) activity, as a precursor for the preparation of oxidic catalysts as for other specific powder properties such as filler, UV-radiation stabiliser, chloride scavenger and thermal stabiliser (Titulaer, 1993). The structure of hydrotalcites can be visualised as positively charged hydroxide layers comparable to the hydroxide layers in brucite, Mg(OH) 2 , in which a part of the divalent metal is substituted by a trivalent metal separated by charge compensating mostly hydrated anions in a so-called interlayer between the hydroxide layers. In both naturally occurring and synthetic hydrotalcites a broad range of compositions are possible of the type [M 2+ 1-x M 3+ x (OH) 2 ][A n- ] x/n. yH 2 O, where M 2+ and M 3+ are the di- and trivalent cations in the octahedral positions within the hydroxide layers with x normally between 0.17 and 0.33. A n- is an exchangeable interlayer anion. The thermal behaviour of hydrotalcites is of importance for a number of applications indicated above. For example, when a hydrotalcite is used as a precursor for the preparation of mixed metal oxide catalysts the dehydration, decarbonisation and dehydroxylation reactions must be well known in order to control the final reaction product. The hydrotalcite Mg 6 Al 2 (OH) 16 CO 3 .nH 2 O was synthesised according to the method described before by Kloprogge and Frost (1999a,b). This method comprises the slow simultaneous addition of a mixed aluminium nitrate (0.25M)-magnesium nitrate (0.75M), aluminium nitrate (0.25M)-solutions and a mixed NaOH (2.00M)-Na 2 CO 3 (0.125M) solution under vigorous stirring buffering the pH at approximately 10. The product was washed to eliminate excess salt and dried at 60 deg C. The thermal behaviour of synthetic hydrotalcite, Mg 6 Al 2 (OH)O 16 CO 3 .nH 2 O, has been studied by Infrared Emission

Role of Calcination Temperature on the Hydrotalcite Derived MgO–Al2O3 in Converting Ethanol to Butanol

Energy Technology Data Exchange (ETDEWEB)

Ramasamy, Karthikeyan K.; Gray, Michel J.; Job, Heather M.; Santosa, Daniel M.; Li, Xiaohong S.; Devaraj, Arun; Karkamkar, Abhijeet J.; Wang, Yong

2015-10-09

In the base catalyzed ethanol condensation reactions, the calcined MgO-Al₂O₃ derived hydrotalcites used broadly as catalytic material and the calcination temperature plays a big role in determining the catalytic activity. The characteristic of the hydrotalcite material treated between catalytically relevant temperatures 450ºC and 800ºC have been studied with respect to the physical, chemical, and structural properties and compared with catalytic activity testing. With the increasing calcination temperature, the total measured catalytic basicity dropped linearly with the calcination temperature and the total measured acidity stayed the same for all the calcination temperatures except 800ºC. However, the catalyst activity testing does not show any direct correlation between the measured catalytic basicity and the catalyst activity to the ethanol condensation reaction to form 1-butanol. The highest ethanol conversion of 44 percent with 1-butanol selectivity of 50 percent was achieved for the 600ºC calcined hydrotalcite material.

Cu hydrotalcite-like compounds: Morphological, structural and microstructural properties

Energy Technology Data Exchange (ETDEWEB)

Suarez, D. Rosales [Instituto Politecnico Nacional, ESIQIE, Av. IPN s/n, Edif. 8, UPALM, Mexico D.F. 07738 (Mexico); Zeifert, B.H. [Instituto Politecnico Nacional, ESIQIE, Av. IPN s/n, Edif. 8, UPALM, Mexico D.F. 07738 (Mexico)]. E-mail: bzeifert@yahoo.com; Garduno, M. Hesiquio [Instituto Politecnico Nacional, ESFM, Av. IPN s/n, Edif. 9, UPALM, Mexico D.F. 07738 (Mexico)]. E-mail: miguelhg@esfm.ipn.mx; Blasquez, J. Salmones [Instituto Politecnico Nacional, ESIQIE, Av. IPN s/n, Edif. 8, UPALM, Mexico D.F. 07738 (Mexico)]. E-mail: jose_salmones@yahoo.com.mx; Serrano, A. Romero [Instituto Politecnico Nacional, ESIQIE, Av. IPN s/n, Edif. 8, UPALM, Mexico D.F. 07738 (Mexico)

2007-05-31

Copper containing mixed oxides are widely employed as catalysts for the synthesis of methanol, higher alcohol, hydrocarbons from syngas at low temperature and pressure, and for NiO {sub x} reduction. In this work, a series of Mg-Al-Cu, as hydrotalcite-like compounds (Cu-HTlcs) precursors of mixed oxides were synthesized by direct coprecipitation. The effect of pH, Cu content and mechanical milling on the structure and texture of these materials was investigated. The obtained materials were characterized by X-ray diffraction, differential scanning calorimetry, scanning and transmission electron microscopy and BET surface area measurements. The results showed that the materials were nanocrystalline powders. The Cu-HTlcs has a hexagonal unit cell. The a and c parameters increased as a function of the Cu content in both milled and non-milled samples. Crystallite size also increased with Cu content in both cases and smaller for non-milled samples. In contrast, microstrain values were greater for milled samples. BET area decreased with Cu content and showed that materials synthesized were mesoporous type. Mechanical milling did not destroy the morphology of the samples.

Cu hydrotalcite-like compounds: Morphological, structural and microstructural properties

International Nuclear Information System (INIS)

Suarez, D. Rosales; Zeifert, B.H.; Garduno, M. Hesiquio; Blasquez, J. Salmones; Serrano, A. Romero

2007-01-01

Copper containing mixed oxides are widely employed as catalysts for the synthesis of methanol, higher alcohol, hydrocarbons from syngas at low temperature and pressure, and for NiO x reduction. In this work, a series of Mg-Al-Cu, as hydrotalcite-like compounds (Cu-HTlcs) precursors of mixed oxides were synthesized by direct coprecipitation. The effect of pH, Cu content and mechanical milling on the structure and texture of these materials was investigated. The obtained materials were characterized by X-ray diffraction, differential scanning calorimetry, scanning and transmission electron microscopy and BET surface area measurements. The results showed that the materials were nanocrystalline powders. The Cu-HTlcs has a hexagonal unit cell. The a and c parameters increased as a function of the Cu content in both milled and non-milled samples. Crystallite size also increased with Cu content in both cases and smaller for non-milled samples. In contrast, microstrain values were greater for milled samples. BET area decreased with Cu content and showed that materials synthesized were mesoporous type. Mechanical milling did not destroy the morphology of the samples

Catalytic combustion of methane over mixed oxides derived from Co-Mg/Al ternary hydrotalcites

Energy Technology Data Exchange (ETDEWEB)

Jiang, Zheng [Inorganic Chemistry Laboratory, Department of Chemistry, University of Oxford, OX1 3QR (United Kingdom); Research Centre of Eco-Environmental Sciences, CAS, Beijing 100085 (China); Jesus College, University of Oxford, OX1 3DW (United Kingdom); Yu, Junjie; Cheng, Jie; Hao, Zhengping [Research Centre of Eco-Environmental Sciences, CAS, Beijing 100085 (China); Xiao, Tiancun; Edwards, Peter P. [Inorganic Chemistry Laboratory, Department of Chemistry, University of Oxford, OX1 3QR (United Kingdom); Jones, Martin O. [Inorganic Chemistry Laboratory, Department of Chemistry, University of Oxford, OX1 3QR (United Kingdom); Rutherford Appleton Laboratory, Didcot, OX11 0QX (United Kingdom)

2010-01-15

Co{sub x}Mg{sub 3-x} /Al composite oxides (xCoMAO-800) were prepared by calcination of Co{sub x}Mg{sub 3-x}/Al hydrotalcites (x=0.0,0.5,1.0,1.5,2.0,2.5,3.0, respectively) at 800 C. The materials were characterized using XRD, TG-DSC, N{sub 2} adsorption-desorption and TPR. The methane catalytic combustion over the xCoMAO-800 was assessed in a fixed bed micro-reactor. The results revealed that cobalt can be homogenously dispersed into the matrices of the hydrotalcites and determines the structure, specific surface areas and porosity of the derived xCoMAO-800 oxide catalysts. The thermal stability and homogeneity of the hydrotalcites markedly depends on the cobalt concentration in the hydrotalcites. The Co-based hydrotalcite-derived oxides exhibit good activity in the catalytic combustion of methane. The catalytic activity over the xCoMAO-800 oxides enhances with increasing x up to 1.5, but subsequently decreases dramatically as cobalt loadings are further increased. The 1.5CoMAO-800 catalyst shows the best methane combustion activity, igniting methane at 450 C and completing methane combustion around 600 C. The catalytic combustion activity over the xCoMAO-800 oxides are closely related to the strong Co-Mg/Al interaction within the mixed oxides according to the TG-DSC, TPR and activity characteristics. (author)

Activation of Mg-Al hydrotalcite catalysts for transesterification of rape oil

Energy Technology Data Exchange (ETDEWEB)

Hong-yan Zeng; Zhen Feng; Xin Deng; Yu-qin Li [University of Xiangtan, Hunan (China). Institute of Biotechnology

2008-10-15

Mg-Al hydrotalcites with different Mg/Al molar ratios were prepared and characterized by powder X-ray diffraction (XRD), Fourier-transform infrared spectra (FTIR), thermogravimetric apparatus and differential thermal analysis (TGA-DTA) and scanning electron micrograph (SEM). It was confirmed by XRD that the materials had hydrotalcite structure. The hydrotalcite catalyst calcined at 773 K with Mg/Al molar ratio of 3.0 exhibited the highest catalytic activity in the transesterification. In addition, a study for optimizing the transesterification reaction conditions such as molar ratio of the methanol to oil, the reaction temperature, the reaction time, the stirring speed and the amount of catalyst, was performed. The optimized parameters, 6:1 methanol/oil molar ratio with 1.5% catalyst (w/w of oil) reacted under stirring speed 300 rpm at 65{sup o}C for 4 h reaction, gave a maximum ester conversion of 90.5%. Moreover, the solid catalyst could be easily separated and possibly reused. 33 refs., 5 figs., 1 tab.

Deep Oxidative Desulfurization of Dibenzothiophene in Simulated Oil and Real Diesel Using Heteropolyanion-Substituted Hydrotalcite-Like Compounds as Catalysts

Directory of Open Access Journals (Sweden)

Rui Wang

2013-11-01

Full Text Available Three heteropolyanion substituted hydrotalcite-like compounds (HPA-HTLcs including Mg9Al3(OH24[PW12O40](MgAl-PW12, Mg9Al3(OH24[PMo12O40] (MgAl-PMo12 and Mg12Al4(OH32[SiW12O40] (MgAl-SiW12, were synthesized, characterized and used as catalysts for the oxidative desulfurization of simulated oil (dibenzothiophene, DBT, in n-octane. MgAl-PMo12 was identified as an effective catalyst for the oxidative removal of DBT under very mild conditions of atmospheric pressure and 60 °C in a biphasic system using hydrogen peroxide as oxidant and acetonitrile as extractant. The conversion of DBT was nearly 100%. As a result, because of the influence of the electron density and the space steric hindrance, the oxidation reactivity of the different sulfur compounds in simulated oil followed the order DBT > 4,6-dimethyldibenzothiophene (4,6-DMDBT > benzothiophene (BT > thiophene (TH. When the reaction is finished, the catalysts can be recovered from the acetonitrile phase by filtration. The recovered MgAl-PMo12 retains nearly the same catalytic activity as the fresh material. Moreover, MgAl-PMo12 was found to exhibit an ideal catalytic activity in the oxidative desulfurization of real diesel resulting in a total remaining sulfur content of 9.12 ppm(w.

Hydrodeoxygenation of furfuryl alcohol over Cu/MgAl and Cu/ZnAl catalysts derived from hydrotalcite-like precursors

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Natalia Andrea Pino

2017-01-01

Full Text Available The aqueous phase hydrodeoxygenation (HDO of furfuryl alcohol over Cu/MgAl and Cu/ZnAl catalysts with different Mg/Al and Zn/Al molar ratios, were investigated. Mg-Al and Zn-Al mixed oxides derived from hydrotalcites precursors were used as supports, which were impregnated with an aqueous solution of copper nitrate by incipient wetness impregnation. The HDO reaction was carried out in a typical batch reactor at 5 MPa of H2 and 200 °C for 4 h. Among the catalysts studied, the Cu/MgAl-0.5 catalyst exhibited the higher furfuryl alcohol conversion (86% and yield of cyclopentanol (35%, which is the reaction product with the highest hydrogen-carbon (H/C ratio. With the Cu/MgAl-3 catalyst a high cyclopentanone yield (67% was achieved. The results obtained, showed that copper supported on mixed oxides catalysts derived from hydrotalcite precursors are a promising alternative to improve the bio-oil quality.

Iodine sorption by microwave irradiated hydrotalcites

Energy Technology Data Exchange (ETDEWEB)

Paredes, S.P. [Universidad Autonoma de Puebla, Facultad de Ciencias Quimicas, C.P. 72570, Puebla, Pue (Mexico); Instituto Politecnico Nacional, ESIQIE, C.P. 07738, Mexico, D.F. (Mexico); Fetter, G. [Universidad Autonoma de Puebla, Facultad de Ciencias Quimicas, C.P. 72570, Puebla, Pue (Mexico)]. E-mail: geolarfetter@yahoo.com.mx; Bosch, P. [Universidad Nacional Autonoma de Mexico, Instituto de Investigaciones en Materiales, C.P. 04510, Mexico, D.F. (Mexico); Bulbulian, S. [Instituto Nacional de Investigaciones Nucleares, A.P. 18-1027, C.P. 11801, Mexico, D.F. (Mexico)

2006-12-15

Mg-Al hydrotalcite-like compounds (HT) were prepared by the microwave method on the one hand with ethoxide-acetylacetonate and on the other with acetylacetonate as precursors. They presented a maximum sorption capacity of 2.179 and 1.517 meq of {sup 131}I{sup -}/g of hydrotalcite respectively. When the hydrotalcites were calcined and rehydrated in a {sup 131}I{sup -} solution, iodine sorption decreased in both samples to 1.515 and 1.446, respectively. The corresponding value for nitrated hydrotalcite which was prepared by the conventional method for comparison purposes, was 0.570. The radionuclide content in hydrotalcites was determined by {gamma}-spectrometry. {sup 131}I{sup -} sorption is dependent on two main parameters: one is the type of the interlayer organic material and the second the surface area. It was found that hydrotalcites prepared with ethoxide-acetylacetonate were better sorbents for {sup 131}I{sup -} than those with acetylacetonate. Still, if the specific surface area increased, {sup 131}I{sup -}sorption increased as well; nitrated HT resulted in low specific surface area and a low sorption capacity. It is, therefore, concluded that organic residues present in the samples prepared by the microwave method favor the sorption of radioactive anions, in particular {sup 131}I{sup -} if compared with nitrated and/or carbonate interlayered hydrotalcites.

Intercalation of paracetamol into the hydrotalcite-like host

International Nuclear Information System (INIS)

Kovanda, František; Maryšková, Zuzana; Kovář, Petr

2011-01-01

Hydrotalcite-like compounds are often used as host structures for intercalation of various anionic species. The product intercalated with the nonionic, water-soluble pharmaceuticals paracetamol, N-(4-hydroxyphenyl)acetamide, was prepared by rehydration of the Mg–Al mixed oxide obtained by calcination of hydrotalcite-like precursor at 500 °C. The successful intercalation of paracetamol molecules into the interlayer space was confirmed by powder X-ray diffraction and infrared spectroscopy measurements. Molecular simulations showed that the phenolic hydroxyl groups of paracetamol interact with hydroxide sheets of the host via the hydroxyl groups of the positively charged sites of Al-containing octahedra; the interlayer water molecules are located mostly near the hydroxide sheets. The arrangement of paracetamol molecules in the interlayer is rather disordered and interactions between neighboring molecules cause their tilting towards the hydroxide sheets. Dissolution tests in various media showed slower release of paracetamol intercalated in the hydrotalcite-like host in comparison with tablets containing the powdered pharmaceuticals. - Graphical abstract: Molecular simulations showed disordered arrangement of paracetamol molecules in the interlayer; most of the interlayer water molecules are located near the hydroxide sheets.▪ Highlights: ► Paracetamol was intercalated in Mg–Al hydrotalcite-like host by rehydration/reconstruction procedure. ► Paracetamol phenolic groups interact with positively charged sites in hydroxide sheets. ► Molecular simulations showed disordered arrangement of guest molecules in the interlayer. ► Slower release of paracetamol intercalated in the hydrotalcite-like host was observed.

Modified hydrotalcite-like compounds as active fillers of biodegradable polymers for drug release and food packaging applications.

Science.gov (United States)

Costantino, Umberto; Nocchetti, Morena; Tammaro, Loredana; Vittoria, Vittoria

2012-11-01

This review treats the recent patents and related literature, mainly from the Authors laboratories, on biomedical and food packaging applications of nano-composites constituted of biodegradable polymers filled with micro or nano crystals of organically modified Layered Double Hydroxides of Hydrotalcite type. After a brief outline of the chemical and structural aspects of Hydrotalcite-like compounds (HTlc) and of their manipulation via intercalation of functional molecular anions to obtain materials for numerous, sometime unexpected applications, the review approaches the theme in three separated parts. Part 1 deals with the synthetic method used to prepare the pristine Mg-Al and Zn-Al HTlc and with the procedures of their functionalization with anti-inflammatory (diclofenac), antibacterial (chloramphenicol hemisuccinate), antifibrinolytic (tranexamic acid) drugs and with benzoates with antimicrobial activity. Procedures used to form (nano) composites of polycaprolactone, used as an example of biodegradable polymer, and functionalized HTlc are also reported. Part 2 discusses a patent and related papers on the preparation and biomedical use of a controlled delivery system of the above mentioned pharmacologically active substances. After an introduction dealing with the recent progress in the field of local drug delivery systems, the chemical and structural aspects of the patented system constituted of a biodegradable polymer and HTlc loaded with the active substances will be presented together with an extensive discussion of the drug release in physiological medium. Part 3 deals with a recent patent and related papers on chemical, structural and release property of antimicrobial species of polymeric films containing antimicrobial loaded HTlc able to act as active packaging for food products prolonging their shelf life.

Hydrotalcite formed by alteration of R7T7 nuclear waste glass and basaltic glass in salt brine at 190 degrees C

International Nuclear Information System (INIS)

Abdelouas, A.; Crovisier, J.L.; Lutze, W.; Mueller, R.; Bernotat, W.

1994-01-01

The R7T7 and synthetic basaltic glasses were submitted to corrosion in a saline MgCl 2 dominated solution at 190 degrees C. For both glasses, the early alteration product is a hydrotalcite-like compound in which HPO 4 2- , SO 4 2- and Cl - substitutes to CO 3 2- . The measured d 003 spacing is 7.68 angstrom for the hydrotalcite formed from R7T7 glass and 7.62 angstrom for the hydrotalcite formed from basaltic glass which reflect the high aluminium content. Chemical microanalyses show that the hydrotalcite is subsequently covered by a silica-rich gel which evolves into saponite after few months

Nanosized spinel oxide catalysts for CO-oxidation prepared via CoMnMgAl quaternary hydrotalcite route

Energy Technology Data Exchange (ETDEWEB)

Mokhtar, M., E-mail: mmoustafa@kau.edu.s [Chemistry Department, Faculty of Science, King Abdulaziz University, 21589 Jeddah, P.O. Box 80203 (Saudi Arabia); Basahel, S.N.; Al-Angary, Y.O. [Chemistry Department, Faculty of Science, King Abdulaziz University, 21589 Jeddah, P.O. Box 80203 (Saudi Arabia)

2010-03-18

Catalytic activity of the Co-Mn-Mg-Al mixed oxide spinel catalysts was examined in CO oxidation by O{sub 2}. The prepared catalysts were characterized by chemical analysis (ICP), infrared spectroscopy (FTIR), thermal analysis (TG, DTG), powder X-ray diffraction (XRD), surface area measurements, and scanning electron microscopy (SEM).The calcined hydrotalcite-like precursor was composed of spinel-like Co-Mn-Mg-Al mixed oxide as the only XRD crystalline phases. The nanosized spinel oxide catalysts produced by calcination of hydrotalcites showed higher S{sub BET} than CoMn-hydrotalcite samples as calcination led to dehydroxylation and carbonate decomposition of anions in interlayer spaces. All the catalysts showed 100% CO conversion at high temperature even those calcined at 800 {sup o}C. A catalyst with Co/Mn = 4 and calcined at 500 {sup o}C showed 100% CO conversion at 160 {sup o}C. Moreover, this catalyst exhibited quite good durability without deactivation in 60 h stability test.

Formation of hydrotalcite coating on the aluminum alloy 6060 in spray system

DEFF Research Database (Denmark)

Zhou, Lingli; Friis, Henrik; Roefzaad, Melanie

2016-01-01

Coatings with the composition of Li-Al-NO3 hydrotalcite were formed on the Al alloy 6060 using a spray system. The coatings consist of crystals with a typical hydrotalcite structure. Dense, uniform and blade-like flakes cover completely the surface of the Al substrate. The coatings display a multi......-layer structure with average thickness of ∼1000 nm. The hydrotalcite-coated samples performed better than those without coatings in salt-spray and filiform-corrosion tests, and further treatment involving sealing with a Mg acetate solution and dipping in a H2O2 + Ce-based solution improved the corrosion...

The effect of two types of modified Mg-Al hydrotalcites on reinforcement corrosion in cement mortar

NARCIS (Netherlands)

Yang, Z.; Polder, R.; Mol, J.M.C.; Andrade, C.

2017-01-01

Two modified Mg-Al hydrotalcites (MHTs), (MHT-pAB and MHT-NO2) were incorporated into mortar (with different w/c ratios) in two different ways: (1) as one of the mixing components in bulk mortar; (2) as part of cement paste coating of the reinforcing steel. Accelerated chloride migration, cyclic

Lithium containing MgAl mixed oxides obtained from sol-gel hydrotalcite for transesterification

Directory of Open Access Journals (Sweden)

Renata A. B. Lima-Corrêa

Full Text Available Abstract The innumerous advantages of heterogeneous catalysts employed in biodiesel production have stimulated the search for a solid catalyst capable of replacing the industrially used homogeneous catalysts. This paper investigates the effect of the sol-gel method in the catalytic activity and stability of Li-MgAl mixed oxides prepared by the “in situ” lithium addition to a MgAl hydrotalcite. The analyses based on N2 physisorption, thermogravimetric analysis, X-ray diffractometry, scanning electron microscopy and temperature-programmed desorption of CO2 were carried out to elucidate the properties of the catalysts. Considerable differences in the physico-chemical properties of the catalysts were observed with the Li addition. Li reduced the surface area and increased the crystallite size of the oxides. Furthermore, Li-MgAl mixed oxides prepared by the calcination of the sol-gel MgAl hydrotalcites presented substantial morphological differences when compared to the same oxides obtained by heat treatment of hydrotalcites synthesized via the conventional co-precipitation route. Furthermore, Li increased the number and strength of the base sites which resulted in the increase of the oxide reactivities towards the transesterification reaction between methyl acetate and ethanol. The activity was dependent on the Li loading on the catalysts. The catalyst containing only 5 wt.% Li turned out to be highly active (( 85% conversion at 50°C, ethanol/methyl acetate molar ratio = 6/1, 4 wt.% of catalyst and 30 min of reaction. Stability tests showed that the Li-MgAl catalysts lose activity after 3 reuse cycles.

Effect of solution concentration on sealing treatment of Mg-Al hydrotalcite film on AZ91D Mg alloy

Directory of Open Access Journals (Sweden)

Qiangsheng Dong

2017-09-01

Full Text Available Cerium-based sealing treatment was developed for Mg-Al hydrotalcite film on AZ91D Mg alloy, and the influence of cerium salt solution was investigated to modify the surface integrity and corrosion resistance. Scanning electron microscope (SEM and X-ray diffraction (XRD measurements were carried out to analyze the surface morphology and phase composition. The corrosion resistance of Mg-Al hydrotalcite film after sealing treatment was evaluated by the polarization curve and electrochemical impedance spectroscopy (EIS tests. The results showed that lower concentration of Ce-containing solution was beneficial to seal the micro-cracks on Mg-Al hydrotalcite film, and improve the surface integrity and corrosion resistance; higher concentration of Ce-containing solution could seal fewer micro-cracks, and the corrosion resistance was decreased owing to the disintegration of Mg-Al hydrotalcite film.

Deep oxidative desulfurization of dibenzothiophene in simulated oil and real diesel using heteropolyanion-substituted hydrotalcite-like compounds as catalysts.

Science.gov (United States)

Yu, Fengli; Wang, Rui

2013-11-05

Three heteropolyanion substituted hydrotalcite-like compounds (HPA-HTLcs) including Mg₉Al₃(OH)₂₄[PW₁₂O₄₀](MgAl-PW₁₂), Mg₉Al₃(OH)₂₄[PMo₁₂O₄₀] (MgAl-PMo₁₂) and Mg₁₂Al₄(OH)₃₂[SiW₁₂O₄₀] (MgAl-SiW₁₂), were synthesized, characterized and used as catalysts for the oxidative desulfurization of simulated oil (dibenzothiophene, DBT, in n-octane). MgAl-PMo₁₂ was identified as an effective catalyst for the oxidative removal of DBT under very mild conditions of atmospheric pressure and 60 °C in a biphasic system using hydrogen peroxide as oxidant and acetonitrile as extractant. The conversion of DBT was nearly 100%. As a result, because of the influence of the electron density and the space steric hindrance, the oxidation reactivity of the different sulfur compounds in simulated oil followed the order DBT > 4,6-dimethyldibenzothiophene (4,6-DMDBT) > benzothiophene (BT) > thiophene (TH). When the reaction is finished, the catalysts can be recovered from the acetonitrile phase by filtration. The recovered MgAl-PMo₁₂ retains nearly the same catalytic activity as the fresh material. Moreover, MgAl-PMo₁₂ was found to exhibit an ideal catalytic activity in the oxidative desulfurization of real diesel resulting in a total remaining sulfur content of 9.12 ppm(w).

Catalytic mechanism of the dehydrogenation of ethylbenzene over Fe–Co/Mg(Al)O derived from hydrotalcites

KAUST Repository

Tope, Balkrishna B.

2011-11-01

Catalytic mechanism of ethylbenzene dehydrogenation over Fe-Co/Mg(Al)O derived from hydrotalcites has been studied based on the XAFS and XPS catalyst characterization and the FTIR measurements of adsorbed species. Fe-Co/Mg(Al)O showed synergy, whereas Fe-Ni/Mg(Al)O showed no synergy, in the dehydrogenation of ethylbenzene. Ni species were stably incorporated as Ni2+ in the regular sites in periclase and spinel structure in the Fe-Ni/Mg(Al)O. Contrarily, Co species exists as a mixture of Co3+/Co2+ in the Fe-Co/Mg(Al)O and was partially isolated from the regular sites in the structures with increasing the Co content. Co addition enhanced Lewis acidity of Fe3+ active sites by forming Fe3+-O-Co 3+/2+(1/1) bond, resulting in an increase in the activity. FTIR of ethylbenzene adsorbed on the Fe-Co/Mg(Al)O clearly showed formations of C-O bond and π-adsorbed aromatic ring. This suggests that ethylbenzene was strongly adsorbed on the Fe3+ acid sites via π-bonding and the dehydrogenation was initiated by α-H+ abstraction from ethyl group on Mg2+-O2- basic sites, followed by C-O-Mg bond formation. The α-H+ abstraction by O2-(-Mg 2+) was likely followed by β-H abstraction, leading to the formations of styrene and H2. Such catalytic mechanism by the Fe 3+ acid-O2-(-Mg2+) base couple and the Fe 3+/Fe2+ reduction-oxidation cycle was further assisted by Co3+/Co2+, leading to a good catalytic activity for the dehydrogenation of ethylbenzene. © 2011 Elsevier B.V. All rights reserved.

Aminobenzoate modified MgAl hydrotalcites as a novel smart additive of reinforced concrete for anticorrosion applications

NARCIS (Netherlands)

Yang, Z.; Fischer, H.R.; Cerezo, J.; Mol, J.M.C.; Polder, R.B.

2013-01-01

A carbonate form of MgAl hydrotalcite, Mg(2)Al-CO3 and its p-aminobenzoate (pAB) modified derivative, Mg(2)Al-pAB, were synthesized and characterized by means of XRD, FT-IR and TG/DSC. The anticorrosion behavior of Mg(2)Al-pAB was evaluated based on open circuit potential (OCP) of carbon steel in

Ethylbenzene dehydrogenation over FeOx/(Mg,Zn)(Al)O catalysts derived from hydrotalcites: Role of MgO as basic sites

KAUST Repository

Balasamy, Rabindran J.; Tope, Balkrishna B.; Khurshid, Alam; Al-Ali, Ali A S; Atanda, Luqman A.; Sagata, Kunimasa; Asamoto, Makiko; Yahiro, Hidenori; Nomura, Kiyoshi; Sano, Tsuneji; Takehira, Katsuomi; Al-Khattaf, Sulaiman S.

2011-01-01

A series of Mg3-xZnxFe0.5Al0.5 mixed oxide catalysts derived from hydrotalcites were tested in the ethylbenzene dehydrogenation to styrene in He atmosphere at 550 °C. The catalysts were prepared by coprecipitation from the nitrates of metal components followed by calcination to mixed oxides at 550 °C. A part of Mg2+ in Mg 3Fe0.5Al0.5 mixed oxide was replaced with Zn2+ to test the effect of MgO as the support. The mixed oxides were composed of periclase and spinel-type compounds with a high surface area of 100-180m2gcat-1. Mössbauer and XPS measurements indicated the presence of Fe3+ on the catalysts and H2-TPR measurement suggested that the dehydrogenation reaction is catalyzed by the reduction-oxidation between Fe3+/Fe2+. The activity of Mg3-xZnxFe0.5Al0.5 mixed oxide decreased with increasing x, indicating an important role of MgO on the activity. Both CO2-TPD measurements as well as IR measurements of adsorbed CO2 clearly indicated the presence of basic sites of Mg 2+O2- on the catalysts. It seems that the combination of Mg2+O2- and Fe3+ was essential for the catalytic activity. It is concluded that the surface base sites generated on O2- bound Mg2+ near Fe3+ sites are responsible for H+-abstraction; the dehydrogenation of ethylbenzene was initiated by the H+ abstraction on Mg2+O2- basic sites, and accelerated by the reduction-oxidation of Fe3+/Fe2+ active species. © 2011 Elsevier B.V.

Ethylbenzene dehydrogenation over FeOx/(Mg,Zn)(Al)O catalysts derived from hydrotalcites: Role of MgO as basic sites

KAUST Repository

Balasamy, Rabindran J.

2011-05-01

A series of Mg3-xZnxFe0.5Al0.5 mixed oxide catalysts derived from hydrotalcites were tested in the ethylbenzene dehydrogenation to styrene in He atmosphere at 550 °C. The catalysts were prepared by coprecipitation from the nitrates of metal components followed by calcination to mixed oxides at 550 °C. A part of Mg2+ in Mg 3Fe0.5Al0.5 mixed oxide was replaced with Zn2+ to test the effect of MgO as the support. The mixed oxides were composed of periclase and spinel-type compounds with a high surface area of 100-180m2gcat-1. Mössbauer and XPS measurements indicated the presence of Fe3+ on the catalysts and H2-TPR measurement suggested that the dehydrogenation reaction is catalyzed by the reduction-oxidation between Fe3+/Fe2+. The activity of Mg3-xZnxFe0.5Al0.5 mixed oxide decreased with increasing x, indicating an important role of MgO on the activity. Both CO2-TPD measurements as well as IR measurements of adsorbed CO2 clearly indicated the presence of basic sites of Mg 2+O2- on the catalysts. It seems that the combination of Mg2+O2- and Fe3+ was essential for the catalytic activity. It is concluded that the surface base sites generated on O2- bound Mg2+ near Fe3+ sites are responsible for H+-abstraction; the dehydrogenation of ethylbenzene was initiated by the H+ abstraction on Mg2+O2- basic sites, and accelerated by the reduction-oxidation of Fe3+/Fe2+ active species. © 2011 Elsevier B.V.

Glycine as Alternative Fuel in Making Hydrotalcite Compound by Means of Combustion Method

International Nuclear Information System (INIS)

Shamsudin, I.K.; Helwani, Z.; Abdullah, A.Z.

2013-01-01

Hydrotalcite is anion compound capable of exchanging ions; it has the potential as a catalyst and adsorbent for variety of applications. Hydrotalcite can be prepared through several approaches, depending on the specific need and the characteristics of the compound. In this study, hydrotalcite was prepared through combustion method using glycine as fuel for the first time. Glycine was selected as opposed to urea so that hydrotalcite is safe for use in food processing or health. Hydrotalcite that was successfully obtained via combustion technique using glycine as fuel showed interesting characteristics. The compound demonstrated high thermal endurance and highest alkalinity, which suited the application for bio diesel production from vegetable oil and hydrogenation in the making of fats. However, the surface area was low in comparison with the same compound obtained from co-precipitation and sol-gel techniques. (author)

Thermal decomposition of hydrotalcite-like compounds studied by a novel tapered element oscillating microbalance (TEOM)

International Nuclear Information System (INIS)

Perez-Ramirez, Javier; Abello, Sonia

2006-01-01

For the first time, we report on the application of a tapered element oscillating microbalance (TEOM) as a novel technique to investigate the thermal decomposition of hydrotalcite-like compounds (HTlcs) in air. Experiments were performed in the temperature range of 323-973 K with Mg-Al, Ni-Al, and Co-Al-HTlcs. The TEOM technique measures mass changes based on inertial forces, presenting important advantages over conventional thermogravimetric analyzers, such as the very rapid time response and the well-defined flow pattern. In general terms, excellent agreement between TEOM, TGA, and DTA techniques during HTlc decomposition was obtained. Interestingly, transition temperatures in the TEOM were lower than in TGA and DTA, particularly for removal of interlayer water but also for dehydroxylation of the brucite-like layers and decarbonation. This was attributed to the flow-through operation in the tapered element of the TEOM as compared to the recognized gas stagnancy and bypass in sample crucibles of conventional thermogravimetric analyzers. Our results conclude that the TEOM technique is suitable for temperature-programmed studies. However, due to its operation principle, blank runs are required in contrast to the more automatic operation in commercial thermogravimetric units. Besides, a careful sample loading and packing in the micro-reactor is essential for reproducible results

Formation and Corrosion Resistance of Mg-Al Hydrotalcite Film on Mg-Gd-Zn Alloy

Science.gov (United States)

Ba, Z. X.; Dong, Q. S.; Kong, S. X.; Zhang, X. B.; Xue, Y. J.; Chen, Y. J.

2017-06-01

An environment-friendly technique for depositing a Mg-Al hydrotalcite (HT) (Mg6Al2(OH)16-CO3ṡ4H2O) conversion film was developed to protect the Mg-Gd-Zn alloy from corrosion. The morphology and chemical compositions of the film were analyzed by scanning electronic microscope (SEM) equipped with energy dispersive X-ray spectroscopy (EDS), X-ray diffraction (XRD) and Raman spectroscopy (RS), respectively. The electrochemical test and hydrogen evolution test were employed to evaluate the biocorrosion behavior of Mg-Gd-Zn alloy coated with the Mg-Al HT film in the simulated body fluid (SBF). It was found that the formation of Mg-Al HT film was a transition from amorphous precursor to a crystalline HT structure. The HT film can effectively improve the corrosion resistance of magnesium alloy. It indicates that the process provides a promising approach to modify Mg-Gd-Zn alloy.

Thermal decomposition of hydrotalcite with chromate, molybdate or sulphate in the interlayer

Energy Technology Data Exchange (ETDEWEB)

Frost, Ray L. [Inorganic Materials Research Program, School of Physical and Chemical Sciences, Queensland University of Technology, GPO Box 2434, Brisbane Queensland 4001 (Australia)]. E-mail: r.frost@qut.edu.au; Musumeci, Anthony W. [Inorganic Materials Research Program, School of Physical and Chemical Sciences, Queensland University of Technology, GPO Box 2434, Brisbane Queensland 4001 (Australia); Bostrom, Thor [Inorganic Materials Research Program, School of Physical and Chemical Sciences, Queensland University of Technology, GPO Box 2434, Brisbane Queensland 4001 (Australia); Adebajo, Moses O. [Inorganic Materials Research Program, School of Physical and Chemical Sciences, Queensland University of Technology, GPO Box 2434, Brisbane Queensland 4001 (Australia); Weier, Matt L. [Inorganic Materials Research Program, School of Physical and Chemical Sciences, Queensland University of Technology, GPO Box 2434, Brisbane Queensland 4001 (Australia); Martens, Wayde [Inorganic Materials Research Program, School of Physical and Chemical Sciences, Queensland University of Technology, GPO Box 2434, Brisbane Queensland 4001 (Australia)

2005-05-15

The thermal decomposition of hydrotalcites with chromate, molybdate and sulphate in the interlayer has been studied using thermogravimetric analysis coupled to a mass spectrometer measuring the gas evolution. X-ray diffraction shows the hydrotalcites have a d(0 0 3) spacing of 7.98 A with very small differences in the d-spacing between the three hydrotalcites. XRD was also used to determine the products of the thermal decomposition. For the sulphate-hydrotalcite decomposition the products were MgO and a spinel MgAl{sub 2}O{sub 4}, for the chromate interlayered hydrotalcite MgO, Cr{sub 2}O{sub 3} and spinel. For the molybdate interlayered hydrotalcite the products were MgO, spinel and MgMoO{sub 4}. EDX analyses enabled the formula of the hydrotalcites to be determined. Two processes are observed in the thermal decomposition namely dehydration and dehydroxylation and for the case of the sulphate interlayered hydrotalcite, a third process is the loss of sulphate. Both the dehydration and dehydroxylation take place in three steps each for each of the hydrotalcites.

Influence of Gold on Hydrotalcite-like Compound Catalysts for Toluene and CO Total Oxidation

Directory of Open Access Journals (Sweden)

Eric Genty

2013-12-01

Full Text Available X6Al2HT500 hydrotalcites, where X represents Mg, Fe, Cu or Zn were synthetized and investigated before and after gold deposition for toluene and CO total oxidation reactions. The samples have been characterized by specific areas, XRD measurements and Temperature Programmed Reduction. Concerning the toluene total oxidation, the best activity was obtained with Au/Cu6Al2HT500 catalyst with T50 at 260 °C. However, catalytic behavior of Au/X6Al2HT500 sample in both reactions depends mainly on the nature of the support.

Development of Ni-Based Catalysts Derived from Hydrotalcite-Like Compounds Precursors for Synthesis Gas Production via Methane or Ethanol Reforming

OpenAIRE

Ya-Li Du; Xu Wu; Qiang Cheng; Yan-Li Huang; Wei Huang

2017-01-01

As a favorably clean fuel, syngas (synthesis gas) production has been the focus of concern in past decades. Substantial literatures reported the syngas production by various catalytic reforming reactions particularly in methane or ethanol reforming. Among the developed catalysts in these reforming processes, Ni-based catalysts from hydrotalcite-like compounds (HTLcs) precursors have drawn considerable attention for their preferable structural traits. This review covers the recent literature r...

The influence of ferric iron in calcined nano-Mg/Al hydrotalcite on adsorption of Cr (VI) from aqueous solution

Energy Technology Data Exchange (ETDEWEB)

Xiao Lili [College of Chemistry, Dalian University of Technology, Dalian, Liaoning 116023 (China); Ma Wei, E-mail: chmawv@yahoo.com [College of Chemistry, Dalian University of Technology, Dalian, Liaoning 116023 (China); Han Mei; Cheng Zihong [College of Chemistry, Dalian University of Technology, Dalian, Liaoning 116023 (China)

2011-02-15

Research highlights: {yields} The reconstruction processes of CH-Mg/Al and CH-Mg/Al/Fe were fast and efficient, but the adsorption of Cr (VI) on CH-Mg/Al/Fe reached equilibrium faster. {yields} The removal mechanism involved not only intercalation but also adsorption on external surface of the layers and interlayer anion exchange. {yields} The existence of Fe3{sup +} in Mg/Al calcined hydrotalcite led to the interlayer anion exchange more difficult and it is affected equilibrium amount of Cr (VI) adsorption. - Abstract: The influence of ferric iron in calcined nano-Mg/Al hydrotalcite on removal of Cr (VI) from aqueous solution was studied from aspects of structure characteristics, adsorption properties and mechanism discussions. The calcined hydrotalcites (CH-Mg/Al and CH-Mg/Al/Fe) were obtained by thermal decomposition of their corresponding precursors and characterized by XRD, TEM, pH{sub PZC} and FTIR. The adsorption properties were studied as a function of pH, initial Cr (VI) concentration and contact time. The results showed that the nature of adsorption is endothermic and spontaneous for both CH-Mg/Al and CH-Mg/Al/Fe, but the thermodynamic parameter value changes revealed the addition of Fe{sup 3+} is disadvantage to adsorption process and the theoretical saturated adsorption capacity decreased by approximately 10.2 mg/g at tested temperatures. The removal mechanism involved not only intercalation but adsorption on external surface of the layers and interlayer anion exchange for both CH-Mg/Al and CH-Mg/Al/Fe. Furthermore, the results also indicated that intercalation accounts for a large proportion during removal process whatever for CH-Mg/Al, or for CH-Mg/Al/Fe. Additionally, the replacement of Al{sup 3+} by Fe{sup 3+} in CH-Mg/Al led to the interlayer anion exchange more difficult. On the basis of the results, it is concluded that the existence of ferric iron in calcined Mg/Al hydrotalcite is unfavorable to removal of Cr (VI) from aqueous solution.

Sorption of {sup 99}MoO{sub 4}{sup 2-} ions on commercial hydrotalcites

Energy Technology Data Exchange (ETDEWEB)

Serrano, J.; Gonzalez, H.; Lopez, H.; Aranda, N.; Granados, F.; Bulbulian, S. [Delegacion Miguel Hidalgo, Mexico (Mexico). Instituto Nacional de Investigaciones Nucleares

2005-07-01

{sup 99}MoO{sub 4}{sup 2-} sorption behavior on 3 commercial hydrotalcites, produced by Sasol Chemie, was studied through batch experiments. Only one of them showed high sorption capacity. This product, the MG70 was identified by XRD diffraction analysis as hydrotalcite (Mg{sub 6}Al{sub 2}(OH){sub 16}CO{sub 3} x 4H{sub 2}O), while the other two, MG50 and MG30, were identified mainly as magnesium aluminum hydroxide hydrate, MgAl{sub 2}(OH){sub 14} x 3H{sub 2}O. Calcined MG70 (CMG70) was used to retain about 298.17{+-}8.3 mg of {sup 99}Mo-MoO{sub 4}{sup 2-} (MG70-{sup 99}MoO{sub 4}). When this material was packed in a glass column, the generated {sup 99m}Tc was eluted by using NaCl or HNO{sub 3} aqueous solutions. Saline solutions eluted {sup 99m}Tc with considerable amounts of {sup 99}Mo while 0.1 M HNO{sub 3} eluted {sup 99m}Tc together with a such small amount of {sup 99}Mo that the {sup 99}Mo {mu}Ci/{sup 99m}Tc mCi ratios are close to the value recommended by the American Pharmacopeia. (orig.)

Synthesis and characterization of the natural and burned hydrotalcite

International Nuclear Information System (INIS)

Granados C, F.

2006-01-01

The synthesis and the structural and surface properties of the natural and burned hydrotalcite using salts of AlCl 3 and MgCl 2 .6H 2 O its were studied. Its were used those analysis of BET, IR, XRD, TGA and SEM to characterize these materials. The obtained product was identified as the natural or carbonated hydrotalcite of chemical formula Mg 6 Al 2 (OH) 16 CO 3 .4H 2 O. The hydrotalcite was roasted at 500 C during 5 h and the was obtained roasted hydrotalcite (HTC) that is a material of high selectivity toward the anions that it can be efficiently used as adsorbent material in studies of adsorption for the treatment of anionic radioactive waste present in watery solution. (Author)

Ethylbenzene dehydrogenation over Mg3Fe0.5−xCoxAl0.5 catalysts derived from hydrotalcites: Comparison with Mg3Fe0.5−yNiyAl0.5 catalysts

KAUST Repository

Atanda, Luqman A.; Balasamy, Rabindran J.; Khurshid, Alam; Al-Ali, Ali A S; Sagata, Kunimasa; Asamoto, Makiko; Yahiro, Hidenori; Nomura, Kiyoshi; Sano, Tsuneji; Takehira, Katsuomi; Al-Khattaf, Sulaiman S.

2011-01-01

A series of Mg3Fe0.5-xCoxAl0.5 (x = 0-0.5) catalysts were prepared from hydrotalcite precursors and their activities in the dehydrogenation of ethylbenzene were compared with those of a series of Mg3Fe0.5-yNiyAl0.5 (y = 0-0.5) catalysts also derived

Kinetic modeling of ethylbenzene dehydrogenation over hydrotalcite catalysts

KAUST Repository

Atanda, Luqman

2011-07-01

Kinetics of ethylbenzene dehydrogenation to styrene was investigated over a series of quaternary mixed oxides of Mg3Fe0.25Me0.25Al0.5 (Me=Co, Mn and Ni) catalysts prepared by calcination of hydrotalcite-like compounds and compared with commercial catalyst. The study was carried out in the absence of steam using a riser simulator at 400, 450, 500 and 550°C for reaction times of 5, 10, 15 and 20s. Mg3Fe0.25Mn0.25Al0.5 afforded the highest ethylbenzene conversion of 19.7% at 550°C. Kinetic parameters for the dehydrogenation process were determined using the catalyst deactivation function based on reactant conversion model. The apparent activation energies for styrene production were found to decrease as follows: E1-Ni>E1-Co>E1-Mn. © 2011 Elsevier B.V.

Adsorption of As(V) from water using Mg-Fe-based hydrotalcite (FeHT)

Energy Technology Data Exchange (ETDEWEB)

Tuerk, T. [Mineral Processing Division, Department of Mining Engineering, Karadeniz Technical University, 61080 Trabzon (Turkey); Alp, I., E-mail: ialp@ktu.edu.tr [Mineral Processing Division, Department of Mining Engineering, Karadeniz Technical University, 61080 Trabzon (Turkey); Deveci, H. [Mineral Processing Division, Department of Mining Engineering, Karadeniz Technical University, 61080 Trabzon (Turkey)

2009-11-15

This paper describes a study of the sorptive removal of arsenate (As(V)) from aqueous solutions by synthetically prepared Mg-Fe-based hydrotalcites (FeHT) as layered double hydroxide (LDH) adsorbents. The synthesis of Fe{sup 3+}-substituted hydrotalcites (FeHT) with the chemical formula [Mg(II){sub 6}Fe(III){sub 2}(OH){sub 16}]{sup 2+}[CO{sub 3} x yH{sub 2}O]{sup 2-} was achieved by a co-precipitation method. The reaction products were characterized by powder X-ray diffraction analysis. The influences of solution pH, initial arsenate (As(V)) concentration, and sorbent concentration were investigated in multiple kinetic runs. The adsorption rates and isotherms were investigated in batch experiments. The pseudo-first-order and second-order kinetic models were tested and the latter was found to fit better to the experimental data. Langmuir and Freundlich isotherms were used to describe the adsorption data from equilibrium experiments. The results have shown that FeHT has a high arsenate removal efficiency, with the ability to reduce the concentration of arsenate in the aqueous solution from an initial value of 330 {mu}g/l to <10 {mu}g/l (i.e. below the limit value specified by WHO).

Novel low temperature NOx storage-reduction catalysts for diesel light-duty engine emissions based on hydrotalcite compounds

International Nuclear Information System (INIS)

Fornasari, G.; Trifiro, F.; Vaccari, A.; Prinetto, F.; Ghiotti, G.; Centi, G.

2002-01-01

A series of Pt and Pt,Cu supported catalysts were prepared by wet impregnation of Mg-Al supports obtained from hydrotalcite-type (HT) precursor compounds. These novel NO x storage-reduction (NO x SR) catalysts show improved performances in NO x storage than Pt,Ba/alumina NO x SR catalysts at reaction temperatures lower than 200C. These catalysts show also improved resistance to deactivation by SO 2 . The effect is attributed to the formation of well dispersed Mg(Al)O particles which show good NO x storage properties. The promoted low temperature activity is explained by the lower basicity of the Mg(Al)O mixed oxide in comparison to BaO, which induces on one hand a lower inhibition on Pt activity (NO to NO 2 oxidation and/or hydrocarbon oxidation) due to electronic effect, and on the other hand a lower thermal stability of the stored NO x . The presence of Cu slightly inhibits activity at low temperature, although improves activity and resistance to deactivation at 300C. On these catalysts FT-IR characterization evidences the formation of a Pt-Cu alloy after reduction

exchanged Mg-Al hydrotalcite catalyst

Indian Academy of Sciences (India)

) catalysts, ... The catalyst can be easily separated by simple filtration ... surface area by the single-point N2 adsorption method ... concentration of carbonate anions (by treating the cat- .... hydrotalcite phase along with copper hydroxide and.

Structurally characterized 1,1,3,3-tetramethylguanidine solvated magnesium aryloxide complexes: [Mg(mu-OEt)(DBP)(H-TMG)]2, [Mg(mu-OBc)(DBP)(H-TMG)]2, [Mg(mu-TMBA)(DBP)(H-TMG)]2, [Mg(mu-DPP)(DBP)(H-TMG)]2, [Mg(BMP)2(H-TMG)2], [Mg(O-2,6-Ph2C6H3)2 (H-TMG)2].

Science.gov (United States)

Monegan, Jessie D; Bunge, Scott D

2009-04-06

The synthesis and structural characterization of several 1,1,3,3-tetramethylguanidine (H-TMG) solvated magnesium aryloxide complexes are reported. Bu(2)Mg was successfully reacted with H-TMG, HOC(6)H(3)(CMe(3))(2)-2,6 (H-DBP), and either ethanol, a carboxylic acid, or diphenyl phosphate in a 1:1 ratio to yield the corresponding [Mg(mu-L)(DBP)(H-TMG)](2) where L = OCH(2)CH(3) (OEt, 1), O(2)CC(CH(3))(3) (OBc, 2), O(2)C(C(6)H(2)-2,4,6-(CH(3))(3)) (TMBA, 3), or O(2)P(OC(6)H(5))(2) (DPP, 4). Bu(2)Mg was also reacted with two equivalents of H-TMG and HOC(6)H(3)(CMe(3))-2-(CH(3))-6 (BMP) or HO-2,6-Ph(2)C(6)H(3) to yield [Mg(BMP)(2)(H-TMG)(2)] (5) and [Mg(O-2,6-Ph(2)C(6)H(3))(2)(H-TMG)(2)] (6). Compounds 1-6 were characterized by single-crystal X-ray diffraction. Polymerization of l- and rac-lactide with 1 was found to generate polylactide (PLA). A discussion concerning the relevance of compounds 2 - 4 to the structure of Mg-activated phosphatase enzymes is also provided. The bulk powders for all complexes were found to be in agreement with the crystal structures based on elemental analyses, FT-IR spectroscopy, and (1)H, (13)C and (31)P NMR studies.

Interaction of pristine hydrotalcite-like layered double hydroxides ...

Indian Academy of Sciences (India)

Metal oxides in general have surface acidic sites, but for exceptional circumstances, are not expected to mineralize CO2. Given their intrinsic basicity and an expandable interlayer gallery, the hydrotalcite-like layered double hydroxides (LDHs) are expected to be superior candidate materials for CO2 mineralization.

The influence of Ca-Mg-Al hydrotalcite synthesized from brine water on thermal and mechanical properties of HTlc-EVA composite

International Nuclear Information System (INIS)

Karina, Wiwiek; Heraldy, Eddy; Pramono, Edi; Heriyanto,; Astuti, Shanti

2016-01-01

Ca-Mg-Al hydrotalcite-like compound (Ca-Mg-Al HTlc) was prepared by co-precipitation method using brine water that is well known as the desalination process waste water. The structure of Ca-Mg-Al HTlc was determined by X-Ray Diffraction (XRD) and Fourier Transform Infrared (FTIR) analysis. Ca-Mg-Al HTlc was studied as a non-halogenated filler in ethylene vinyl acetate (EVA) matrix. Composites with different filler concentrations were prepared to evaluate the influence of Ca-Mg-Al HTlc on thermal and mechanical properties of EVA.The presence of Ca-Mg-Al HTlc in the composite has been confirmed by FTIR analysis. Thermal properties of composites show significant reduction of degradation temperature as well as the loading of HTlc in EVA. However, the total enthalpies combustion of composites with 1% and 5% HTlc loadings higher compared to neat EVA. Further, mechanical properties were determined by tensile test. The result shows that tensile strength and elongation at break of composites decrease relatively by Ca-Mg-Al HTlc addition

The influence of Ca-Mg-Al hydrotalcite synthesized from brine water on thermal and mechanical properties of HTlc-EVA composite

Energy Technology Data Exchange (ETDEWEB)

Karina, Wiwiek, E-mail: wiekarina@gmail.com; Heraldy, Eddy, E-mail: eheraldy@gmail.com; Pramono, Edi; Heriyanto,; Astuti, Shanti [Department of Chemistry, Faculty of Mathematics and Natural Sciences, Sebelas Maret University Jl. Ir. Sutami 36A, Kentingan, Surakarta 57126 (Indonesia)

2016-02-08

Ca-Mg-Al hydrotalcite-like compound (Ca-Mg-Al HTlc) was prepared by co-precipitation method using brine water that is well known as the desalination process waste water. The structure of Ca-Mg-Al HTlc was determined by X-Ray Diffraction (XRD) and Fourier Transform Infrared (FTIR) analysis. Ca-Mg-Al HTlc was studied as a non-halogenated filler in ethylene vinyl acetate (EVA) matrix. Composites with different filler concentrations were prepared to evaluate the influence of Ca-Mg-Al HTlc on thermal and mechanical properties of EVA.The presence of Ca-Mg-Al HTlc in the composite has been confirmed by FTIR analysis. Thermal properties of composites show significant reduction of degradation temperature as well as the loading of HTlc in EVA. However, the total enthalpies combustion of composites with 1% and 5% HTlc loadings higher compared to neat EVA. Further, mechanical properties were determined by tensile test. The result shows that tensile strength and elongation at break of composites decrease relatively by Ca-Mg-Al HTlc addition.

Calcined hydrotalcites for the catalytic decomposition of N{sub 2}O in simulated process streams

Energy Technology Data Exchange (ETDEWEB)

Armor, J.N.; Braymer, T.A.; Farris, T.S.; Li, Y.; Petrocelli, F.P.; Weist, E.L. [Air Products and Chemicals, Inc., Allentown, PA (United States); Kannan, S.; Swamy, C.S. [Department of Chemistry, Indian Institute of Technology, Madras (India)

1996-01-18

Various hydrotalcite based catalysts were prepared for testing for the catalytic decomposition of N{sub 2}O. Co-Al, Ni-Al, Co/Pd-Al, Co/Rh-Al, and Co/Mg-Al substituted hydrotalcites and Co-La-Al hydroxides offer very good activity at modest temperatures. Precalcination of these materials at ca. 450-500C, which destroys the hydrotalcite phase, is necessary for optimum activity and life. For Co substituted hydrotalcites, the optimal ratio of Co/Al is 3.0. The temperature for 50% conversion of N{sub 2}O of these calcined cobalt hydrotalcites is ca. 75C lower than for the previous highly active Co-ZSM-5. These calcined cobalt hydrotalcite materials display sustained life at temperatures in excess of 670C in an O{sub 2} rich, wet stream with high levels of N{sub 2}O (10%). Excess O{sub 2} does not seriously impact N{sub 2}O decomposition, but the combination of both water vapor and O{sub 2} does reduce activity by ca. 50%

Structural features of AgCaCdMg2(PO4)3 and AgCd2Mg2(PO4)3, two new compounds with the alluaudite-type structure, and their catalytic activity in butan-2-ol conversion

International Nuclear Information System (INIS)

Kacimi, Mohammed; Ziyad, Mahfoud; Hatert, Frederic

2005-01-01

AgCaCdMg 2 (PO 4 ) 3 and AgCd 2 Mg 2 (PO 4 ) 3 , two new compounds with the alluaudite-type structure, were synthesized by a solid state reaction in air at 750 deg. C. The X-ray powder diffraction pattern of AgCaCdMg 2 (PO 4 ) 3 indicates the presence of small amounts of (Ca, Mg) 3 (PO 4 ) 2 with the whitlockite structure, as impurity, whereas AgCd 2 Mg 2 (PO 4 ) 3 is constituted by pure alluaudite. The Rietveld refinements of the X-ray powder diffraction patterns indicate an ordered cationic distribution for AgCd 2 Mg 2 (PO 4 ) 3 , with Ag on A(2)', Cd on A(1) and M(1), and Mg on M(2), whereas a disordered distribution of Cd and Ca between the A(1) and M(1) sites is observed for AgCaCdMg 2 (PO 4 ) 3 . The catalytic properties of these compounds has been measured in reaction of butan-2-ol dehydrogenation. In the absence of oxygen, both samples exhibit poor dehydrogenation activity. All samples displayed no dehydration activity. Introduction of oxygen into the feed changed totally the catalytic behavior of the catalysts. The production of methyl ethyl ketone increases with time on stream and the reaction temperature. AgCaCdMg 2 (PO 4 ) 3 is more efficient than AgCd 2 Mg 2 (PO 4 ) 3

Influence of Cu, Co and Ni cations incorporated in brucite-type layers on thermal behaviour of hydrotalcites and reducibility of the derived mixed oxide systems

Energy Technology Data Exchange (ETDEWEB)

Chmielarz, Lucjan; Kustrowski, Piotr; Rafalska-Lasocha, Alicja; Dziembaj, Roman

2002-01-03

Thermal decomposition of M-Mg-Al-CO{sub 3}-NO{sub 3} hydrotalcites (where M is Cu{sup 2+}, Co{sup 2+} or Ni{sup 2+}) with intended M/Mg (0.10/0.61) and M/Al (0.10/0.29) ratios prepared under the same conditions was studied using high temperature X-ray diffraction (HT-XRD) and thermogravimetry coupling with mass spectrometry (TGA-DTA-MS). Introduction of transition metals to the brucite-like layers of hydrotalcites changed their thermal behaviour. The decomposition of nitrate or carbonate anions was coupled with oxidation from Ni{sup 2+} to Ni{sup 3+} and Co{sup 2+} to Co{sup 3+}. Further increase of temperature resulted in reduction of these cations. Reduction from Cu{sup 2+} to Cu{sup +} was also observed above 700 deg. C. Stabilisation of carbonate anions by Cu{sup 2+} introduced into hydrotalcite matrix was found at temperatures above 600 deg. C. The thermal treatment of hydrotalcite precursors resulted in the formation of mixed oxide and spinel phases, which were stable after cooling to ambient temperature with exception of CuO phase that appeared during cooling down due to segregation effects. Reducibility of the hydrotalcites calcined at different temperatures was determined by temperature-programmed reduction (TPR) experiments. Specific surface areas of hydrotalcites calcined at 600 deg. C ranged from 226 to 196 m{sup 2}/g dropping with increase in the calcination temperatures to values ranging between 138 and 49 m{sup 2}/g depending on transition metal contents.

Influence of elemental diffusion on low temperature formation of MgH2 in TiMn1.3T0.2-Mg (T = 3d-transition elements)

International Nuclear Information System (INIS)

Yamamoto, K.; Tanioka, S.; Tsushio, Y.; Shimizu, T.; Morishita, T.; Orimo, S.; Fujii, H.

1996-01-01

In order to examine the influence of the elemental diffusion from the host compound into the Mg region on low temperature formation of MgH 2 , we have investigated the hydriding properties and the microstructures of the composite materials TiMn 1.3 T 0.2 -Mg (T = V, Cr, Mn, Fe, Co, Ni and Cu). MgH 2 is formed at 353 K in all composite materials. Of all the substitutions, the amount of MgH 2 is the largest in the case of the Cu substitution, which originates from the existence of the Mg-Mg 2 Cu eutectic formed by Cu diffusion from the host compound TiMn 1.3 Cu 0.2 into the Mg region during the liquid phase sintering. In addition, the hydrogen capacity of TiMn 1.3 Cu 0.2 -Mg (that is TiMn 1.3 Cu 0.1 -(Mg+Mg 2 Cu) after the sintering) easily saturates in comparison with TiMn 1.5 -(Mg+Mg 2 Cu) without Cu diffusion. It is concluded that Cu diffusion promotes the mobility of hydrogen atoms at the complex interface between the host compound and the Mg region. (orig.)

Effect of the gamma radiation in hydrotalcite with chromates

International Nuclear Information System (INIS)

Martinez G, S.; Bulbulian, S.

2004-01-01

At the moment the generation of radioactive wastes is topic of numerous studies. In this work was retained anionic material, chromates, in hydrotalcite that are anionic exchangers. It was proposed to warm the HT at different temperatures of 600 C up to 1200 C with the purpose of immobilizing the chromium inside the hydrotalcite. To high temperatures (1000 and 1200 C) it was formed one spinel (MgCr 2 O 4 ) that is a very stable compound. It was found that when increasing the heating temperature, the anions are retained strongly. The immobilization of the Cr was determined through the chromium lixiviation with solutions 1N and 5N of NaCl. Also it was studied the effect of the radiation on the heated materials. The radiation dose used for it was of 1000 and 6000 kGy. The results show that for the calcined samples at 1000 and 1200 C irradiated or no irradiated, the chromium is strongly retained in form of spinels that is the structure formed after the calcination of the material. (Author)

Effect of radiation on hydrotalcites with chromates

International Nuclear Information System (INIS)

Martinez G, S.; Bulbulian, S.

2002-01-01

Nowadays the generation of radioactive wastes is matter of several studies. In this work anion material, chromates, in hydrotalcite are retained which are anion exchangers. It was proposed to heat the hydrotalcite until temperature of 1200 C with the purpose to form the (MgAl 2 O 4 ) spinel is very stable and in this way to immobilize strongly the anions. The effect of radiation on this compound and in particular the chromium lixiviation with solution 1N NaCl. It was found that in all case, the anions are strongly retained in the spinel formed. The radiation dose used for this was 100 Mrad, the samples were treated with NaCl 1N for studying the Cr lixiviation. The results show that for the calcined samples at 1200 C and irradiated there are not chromium escapes, which indicates that it is strongly retained in the spinel that is the formed structure after of the material calcination. (Author)

Adsorption of Nitrite and Nitrate Ions from an Aqueous Solution by Fe-Mg-Type Hydrotalcites at Different Molar Ratios.

Science.gov (United States)

Ogata, Fumihiko; Nagai, Noriaki; Kariya, Yukine; Nagahashi, Eri; Kobayashi, Yuhei; Nakamura, Takehiro; Kawasaki, Naohito

2018-01-01

In this study, we prepared Fe-Mg-type hydrotalcites (Fe-HT3.0 and Fe-HT5.0) with different molar ratios and evaluated their adsorption capability for nitrite and nitrate ions from aqueous solution. Fe-HT is a typical hydrotalcite-like layered double hydroxide. Adsorption isotherms, as well as the effects of contact time and pH were investigated, and it was found that Fe-HT can adsorb larger amounts of nitrite and nitrate ions than Al-HT (normal-type hydrotalcite). Adsorption isotherm data were fitted to both Freundlich (correlation coefficient: 0.970-1.000) and Langmuir (correlation coefficient: 0.974-0.999) equations. Elemental analysis and binding energy of Fe-HT surface before and after adsorption indicated that the adsorption mechanism was related to the interaction between the adsorbent surface and anions. In addition, the ion exchange process is related to the adsorption mechanism. The adsorption amount increased with increasing temperature (7-25°C). The experimental data fit the pseudo-second-order model better than the pseudo-first-order model. The effect of pH on adsorption was not significant, which suggested that Fe-HT could be used over a wide pH range (4-12). These results indicate that Fe-HT is a good adsorbent for the removal of nitrite and nitrate ions from aqueous solution.

Z-contrast imaging of ordered structures in Pb(Mg1/3Nb2/3)O3 and Ba(Mg1/3Nb2/3)O3

International Nuclear Information System (INIS)

Yan, Y.; Pennycook, S.J.; Xu, Z.; Viehland, D.

1998-02-01

Lead-based cubic perovskites such as Pb(B 1/3 2+ B 2/3 5+ )O 3 (B 2+ Mg, Co, Ni, Zn; B 5+ = Nb, Ta) are relaxor ferroelectrics. Localized order and disorder often occur in materials of this type. In the Pb(Mg 1/3 Nb 2/3 )O 3 (PMN) family, previous studies have proposed two models, space-charge and charge-balance models. In the first model, the ordered regions carry a net negative charge [Pb(Mg 1/2 Nb 1/2 )O 3 ], while in the second model it does not carry a net charge [Pb((Mg 2/3 Nb 1/3 ) 1/2 Nb 1/2 )O 3 ]. However, no direct evidence for these two models has appeared in the literature yet. In this paper the authors report the first direct observations of local ordering in undoped and La-doped Pb(Mg 1/3 Nb 2/3 )O 3 , using high-resolution Z-contrast imaging. Because the ordered structure in Ba(Mg 1/3 Nb 2/3 )O 3 is well known, the Z-contrast image from an ordered domain is used as a reference for this study

Synthesis, characterization, and application of hydrotalcites in hydrodesulfurization of FCC gasoline

Energy Technology Data Exchange (ETDEWEB)

Zhao, Ruiyu; Yin, Changlong; Zhao, Huiji; Liu, Chenguang [College of Chemistry and Chemical Engineering, Key Laboratory of Catalysis, CNPC, University of Petroleum, Dongying, Shandong 257061 (China)

2003-05-25

Magnesium-aluminum, copper-aluminum, zinc-aluminum hydrotalcite(HT) compounds were synthesized using co-precipitation method. The effects of stirring rate, feeding rate of reactants, pH, calcination temperature on the properties of Mg-Al mixed oxides were investigated by using XRD, TG-DTA and BET techniques. The catalytic activity and selectivity of CoMo/{gamma}-Al{sub 2}O{sub 3}, CoMo/{gamma}-Al{sub 2}O{sub 3}+HT catalysts for hydrodesulfurization of FCC gasoline were examined in a high pressure microreactor. The results showed that the catalysts with mixed oxide obtained from hydrotalcite as support give lower levels of olefin hydrogenation than the catalyst with {gamma}-Al{sub 2}O{sub 3} as support, and lower octane number reduction and hydrodesulfurization yield, too. The hydrodesulfurization activity order was as follows: CoMo/{gamma}-Al{sub 2}O{sub 3}>CoMo/{gamma}-Al{sub 2}O{sub 3}+Mg-Al(HT)>CoMo/{gamma}-Al{sub 2}O{sub 3}+Cu-A l(HT)>CoMo/{gamma}-Al{sub 2}O{sub 3}+Zn-Al(HT), and the olefin hydrogenation activity and octane number reduction order were as follows: CoMo/{gamma}-Al{sub 2}O{sub 3}+Zn-Al(HT)2}O{sub 3}+Cu-Al(HT)2}O{sub 3}+Mg-Al(HT)2}O{sub 3}.

Modified hydrotalcites for improved corrosion protection of reinforcing steel in concrete – preparation, characterization, and assessment in alkaline chloride solution

NARCIS (Netherlands)

Yang, Z.; Fischer, H.; Cerezo, J.; Mol, J.M.C.; Polder, R.

2016-01-01

Six MgAl hydrotalcites (Mg/Al = 2 and 3) were synthesized through the modification of two carbonate hydrotalcites (i.e., Mg(2)AlCO3 and Mg(3)AlCO3) by two amino acids (11aminoundecanoic acid and paminobenzoic acid) and sodium nitrite. They were characterized by means of XRD, FTIR, TG/DSC, and

Synthesis of biodiesel using potassium fluoride (KF) supported by hydrotalcite and process optimization by Box-Behnken design

Energy Technology Data Exchange (ETDEWEB)

Singh, Bhaskar; Sharma, Yogesh C. [Banaras Hindu University, Department of Applied Chemistry, Institute of Technology, Varanasi (India); Birla, Ashish; Upadhyay, S.N. [Banaras Hindu University, Department of Chemical Engineering and Technology, Institute of Technology, Varanasi (India); Yaakob, Zahira [Universiti Kebangsaan Malaysia, Department of Chemical and Process Engineering, Selangor (Malaysia)

2012-12-15

Biodiesel has been developed using a heterogeneous catalyst potassium fluoride (KF) supported on hydrotalcite (HT) and waste frying oil (WFO) as feedstock. Hydrotalcite was synthesized by co-precipitation method using mixture of Mg(NO{sub 3}){sub 2}.6H{sub 2}O and Al(NO{sub 3}){sub 2}.9H{sub 2}O slowly added to a solution containing NaOH and Na{sub 2}CO{sub 3} and calcined at 500 C. KF was impregnated on hydrotalcite at KF/HT load ratio of 80:100 by addition of a small amount of water. Biodiesel was developed using KF/HT as heterogeneous catalyst by transesterification. Box-Behnken Design using Minitab 15.1 Statistical Software and Design-Expert (Demo version 8.0.6.1) software were used as statistical tool for design of experiments and optimization of fatty acid methyl ester yield. A high yield and conversion of biodiesel was obtained by optimization of variables affecting the reaction. The variables affected the reaction in the priority order of: catalyst amount >> molar ratio (methanol to oil) > reaction time. A 12:1 methanol to WFO molar ratio, 2.5 wt.% of catalyst at 60 C in 1 h reaction time gave a high fatty acid methyl ester yield of >98 %. The quantitative analysis of the product (i.e., biodiesel) was done on a Fourier-transform-nuclear magnetic resonance spectrometer. (orig.)

Synthesis and characterization of the natural and burned hydrotalcite; Sintesis y caracterizacion de la hidrotalcita natural y calcinada

Energy Technology Data Exchange (ETDEWEB)

Granados C, F. [ININ, 52045 Ocoyoacac, Estado de Mexico (Mexico)

2006-07-01

The synthesis and the structural and surface properties of the natural and burned hydrotalcite using salts of AlCl{sub 3} and MgCl{sub 2}.6H{sub 2}O its were studied. Its were used those analysis of BET, IR, XRD, TGA and SEM to characterize these materials. The obtained product was identified as the natural or carbonated hydrotalcite of chemical formula Mg{sub 6}Al{sub 2}(OH){sub 16}CO{sub 3}.4H{sub 2}O. The hydrotalcite was roasted at 500 C during 5 h and the was obtained roasted hydrotalcite (HTC) that is a material of high selectivity toward the anions that it can be efficiently used as adsorbent material in studies of adsorption for the treatment of anionic radioactive waste present in watery solution. (Author)

Synthesis and Characterization of Ni/Hydrotalcite and Its Application in Hydrocracking Calophyllum Inophyllum Oil

Directory of Open Access Journals (Sweden)

Hafshah

2016-12-01

Full Text Available This research aims to synthesize hydrotalcite as an alternatives of catalyst support of hydrocracking of vegetable oils. Hydrotalcite can be synthesized in several ways, the most common is coprecipitation method. Hydrotalcite was synthesized using Mg/Al mole ratio of 1: 1, NaOH and Na2CO3 as base solutions. Ni/hydrotalcite catalyst was synthesized by incipicient wetness impregnation method with Ni impregnation of 10% w/w. The characterization of the crystal structure was determined by X-ray diffraction (XRD. The spesific surface area (SBET was determined by adsorption-desorption of nitrogen, it were obtained 201 m2/g after impregnation and 191 m2/g before impregntion. The test of performance of catalyst was conducted by hydrocracking reaction of Calophyllum inophyllum oil. The liquid products were analyzed by gas chromatography mass spectrometry (GC-MS. Hydrocracking process produced gasoline, kerosene, gas oil with yield of 0.36%, 2.45%, 54.88% respectively, conversion of 96.26% and selectivity of gas oil of 84.39%.

Mg/Al Ordering in Layered Double Hydroxides Revealed by Multinuclear NMR Spectroscopy

DEFF Research Database (Denmark)

Nielsen, Ulla Gro; Grey, Clare P.; Sideris, Paul J.

2008-01-01

The anion- exchange ability of layered double hydroxides ( LDHs) has been exploited to create materials for use in catalysis, drug delivery, and environmental remediation. The specific cation arrangements in the hydroxide layers of hydrotalcite- like LDHs, of general formula Mg1-x2+Alx3+OH2(Anion...

Keggin type polyoxometalate H4[αSiW12O40].nH2O as intercalant for hydrotalcite

Directory of Open Access Journals (Sweden)

Neza Rahayu Palapa

2017-06-01

Full Text Available The synthesis of hydrotalcite and polyoxometalate H4[αSiW12O40].nH2O with the ratio (2:1, (1:1, (1:2 and (1:3 has been done. The product of intercalation was characterized using FT-IR spectrophotometer, XRD, and TG-DTA. Polyoxometalate H4[αSiW12O40].nH2O intercalated layered double hydroxide was optimised to use as adsorbent Congo red dye. Characterization using FT-IR was not showing the optimal insertion process. The result using XRD characterization was showed successful of polyoxometalate H4[αSiW12O40].nH2O inserted layered double hydroxide with a ratio (1:1 which the basal spacing was expanded from 7,8 Ȧ to 9,81 Ȧ. Furthermore, the thermal analysis was performed using TG-DTA. The result show that the decomposition of polyoxometalate H4[αSiW12O40].nH2O intercalated  hydrotalcite with ratio (1:1 was occured at 80oC to 400oC with a loss of OH in the layer at 150oC to 220oC, and then the decomposition of the compound polyoxometalate H4[αSiW12O40].nH2O at 350oC to 420oC. Keywords: Hydrotalcite, Layered Double Hydroxide, Polyoxometalate, Intercalation

Optimization of the Transesterification of Waste Cooking Oil with Mg-Al Hydrotalcite Using Response Surface Methodology

Directory of Open Access Journals (Sweden)

Laureano Costarrosa

2018-01-01

Full Text Available Nowadays, biodiesel has become a very promising alternative to fossil diesel fuel, regarding environmental concerns and fuel resource depletion. Biodiesel is usually produced through homogeneous or heterogeneous transesterification of different fatty raw materials. Although main research has been carried out with homogenous catalysts, heterogeneous catalysts may be of interest due to ease of recovery and recycling, as well as readiness for continuous processing. In this work, calcined Mg-Al hydrotalcite (HT was used for the heterogeneous transesterification of waste cooking oil. Three reaction parameters, namely, reaction time, amount of catalyst, and methanol-to-oil molar ratio, were optimized by means of Response Surface Methodology (RSM at constant temperature (65 °C, using a Box-Behnken design. Optimal fatty acid methyl ester (FAME content (86.23% w/w FAME/sample was predicted by the model with an R-squared value of 98.45%, using 3.39 g of HT (8.5% w/w oil and an 8:1 methanol-oil molar ratio, for a duration of 3.12 h. It was observed that calcination of HT, while avoiding the previous washing step, allowed the presence of chemical species that enhanced the effect of the catalyst. It can be concluded from this field trial that calcined and nonwashed Mg-Al hydrotalcite may be considered an effective basic catalyst for the production of biodiesel from waste cooking oil. Also, RSM proved to be a useful tool for predicting biodiesel yield.

Preparation and properties of Mg/Al layered double hydroxide-oleate and -stearate intercalation compounds

International Nuclear Information System (INIS)

Inomata, Kazuya; Ogawa, Makoto

2006-01-01

Mg/Al layered double hydroxide-oleate and -stearate intercalation compounds were successfully synthesized by the reconstruction method under hydrothermal conditions from calcined hydrotalcite. The intercalation compounds were characterized by the high structural regularity as evidenced by the sharp and intense X-ray diffraction peaks. The oleate intercalated layered double hydroxide exhibits unique physicochemical properties such as a reversible thermoresponsive change in the basal spacing and swelling in organic solvents such as n-alkanes. (author)

Intercalation of hydrotalcites with hexacyanoferrate(II) and (III)-a thermoRaman spectroscopic study

International Nuclear Information System (INIS)

Frost, Ray L.; Musumeci, Anthony W.; Bouzaid, Jocelyn; Adebajo, Moses O.; Martens, Wayde N.; Theo Kloprogge, J.

2005-01-01

Raman spectroscopy using a hot stage indicates that the intercalation of hexacyanoferrate(II) and (III) in the interlayer space of a Mg, Al hydrotalcites leads to layered solids where the intercalated species is both hexacyanoferrate(II) and (III). Raman spectroscopy shows that depending on the oxidation state of the initial hexacyanoferrate partial oxidation and reduction takes place upon intercalation. For the hexacyanoferrate(III) some partial reduction occurs during synthesis. The symmetry of the hexacyanoferrate decreases from O h existing for the free anions to D 3d in the hexacyanoferrate interlayered hydrotalcite complexes. Hot stage Raman spectroscopy reveals the oxidation of the hexacyanoferrate(II) to hexacyanoferrate(III) in the hydrotalcite interlayer with the removal of the cyanide anions above 250 deg. C. Thermal treatment causes the loss of CN ions through the observation of a band at 2080cm -1 . The hexacyanoferrate (III) interlayered Mg, Al hydrotalcites decomposes above 150 deg. C

Supported modified hydrotalcites as sorbent for CO2 capture

Energy Technology Data Exchange (ETDEWEB)

Meis, N.

2010-02-15

The average concentration of CO2 in the atmosphere has been increasing since the start of the industrial revolution in the 18th century from 280 ppm to 385 ppm nowadays, and continues to increase because of the enormous human usage of fossil fuels (oil, gas, coal). This can strongly affect the climate, causing the Earth's surface to warm up, the so called 'amplified greenhouse effect'. To alleviate these environmental concerns regarding the current CO2 emissions into the atmosphere, Carbon Capture and Storage (CCS) is investigated as one of the possible routes. Due to the acidic character of CO2, basic oxides are expected to be suitable sorbents. Hydrotalcite, a natural clay, is specifically suitable for pre-combustion capture (250- 400{sup o}C), due to its acceptable sorption capacity and facile regeneration. The influence of lateral platelet size ({+-}40 nm - 2 {mu}m), the use of a support (carbon nanofibers, CNF) and addition of a promoter (alkali carbonate: K{sub 2}CO{sub 3}/Na{sub 2}CO{sub 3}) on the CO2 capture properties of HT was investigated. There was no significant difference in the CO2 sorption capacities at 523K for all unsupported HTs, regardless the platelet size of the HT precursor ({+-}0.1 mmol.g{sup -1}). The use of activated, promoted (alkali carbonate) hydrotalcites showed a much higher capacity ({+-}0.3 mmol.g{sup -1}) at 523K. In addition, the capacities of the activated supported HT at 523K were significantly increased compared to the activated unsupported HT (1.3-2.5 mmol.g{sup -1} HT). The alkali-loaded supported HTs showed capacities slightly higher than the capacity of supported unpromoted HT. The increase in capacity for the promoted and/or supported HTs points to a higher concentration of defects (low-coordination of oxygen sites) on the surface of the activated (alkali-)loaded HTs compared to the unloaded and unsupported HT. The higher concentration of adsorption for the promoted (supported) HTs, might be caused by the

HYDROTALSIT Zn-Al-EDTA SEBAGAI ADSORBEN UNTUK POLUTAN ION Pb(II DI LINGKUNGAN Zn-Al-EDTA Hydrotalcite as Adsorbent for Pb(II Ion Pollutant in The Environment

Directory of Open Access Journals (Sweden)

Roto Roto

2015-07-01

Full Text Available ABSTRAK Polusi ion Pb(II di dalam lingkungan perairan cenderung naik seiring peningkatan jumlah industri smelter dan daur ulang aki bekas. Penelitian ini bertujuan untuk menguji kemampuan hidrotalsit Zn-Al-EDTA sebagai adsorben ion Pb(II dalam air secara mendalam. Hidrotalsit Zn-Al-NO3 disintesis dengan metode kopresipitasi dan hidrotermal pada temperatur 100 °C selama 15 jam. Hidrotalsit Zn-Al-EDTA diperoleh dengan penukaran ion. Keasaman larutan, kinetika dan kapasitas adsorpsi diteliti. Hidrotalsit Zn-Al-EDTA memiliki d003 sebesar 14,52 Å sementara Zn-Al-NO3 sebesar 8,90 Å. Spektra FTIR menunjukkan keberadaan serapan gugus C=O pada bilangan gelombang 1684,77 cm-1. Kondisi optimum adsorpsi ion Pb(II terjadi pada pH 4, waktu kontak 60 menit dan kapasitas adsorpsi diperoleh 2,07 mg/g pada konsentrasi awal 10 mg/L dengan berat adsorben 0,100 g. Adsorpsi ion Pb(II oleh hidrotalsit Zn-Al-EDTA mengikuti reaksi pseudo orde dua dengan tetapan laju adsorpsi sebesar 8,90 g mmol-1min-1. Adsorpsi ion Pb(II oleh Zn-Al-EDTA terjadi karena  pembentukan khelat Pb-EDTA di dalam struktur hidrotalsit. Hasil ini diharapkan mampu memberikan kontribusi yang lebih luas di dalam pengendalian konsentrasi Pb(II di lingkungan. ABSTRACT Polution by Pb(II ion in the water environment tends to increase due the increase in the number of lead smelter and lead acid battery recycling industries. This work aims at studying in details the ability of Zn-Al-EDTA hydrotalcite as adsorbent for Pb(II ion in the environment. The Zn-Al-NO3 hydrotalcite was synthesized first by coprecipitation method followed by hydrothermal treatment at 100 °C for 15 h. The Zn-Al-EDTA hydrotalcite was later obtained by ion exchange process. The solution pH, kinetics and adsorption capacity were studied. The XRD data showed that Zn-Al-EDTA and Zn-Al-NO3 hydrotalcites have d003 of 14.52 and 8.90 Å, respectively. The FTIR spectra suggested that C=O group was observed with absorption band at 1684

New magnetic organic-inorganic composites based on hydrotalcite-like anionic clays for drug delivery

Energy Technology Data Exchange (ETDEWEB)

Carja, Gabriela [Department of Physical Chemistry, Faculty of Industrial Chemistry, Technical University of Iasi, 71 Mangeron Boulevard, 700050 Iasi (Romania); Chiriac, Horia [National Institute of Research and Development for Technical Physics, 47 Mangeron Boulevard, 700050 Iasi (Romania)]. E-mail: hchiriac@phys-iasi.ro; Lupu, Nicoleta [National Institute of Research and Development for Technical Physics, 47 Mangeron Boulevard, 700050 Iasi (Romania)

2007-04-15

The structural 'memory effect' of anionic clays was used to obtain layered double hydroxides (LDHs) with tailored magnetic properties, by loading iron oxides and/or spinel structures on iron partially substituted hydrotalcite-like materials. The obtained magnetic layered structures were further used as precursors for new hybrid nanostructures, such as aspirin-hydrotalcite-like anionic clays. Transmission electron microscopy (TEM) analysis shows that small iron oxide or spinel nanoparticles coexist with the fibrous drug particles on the surface of partially aggregated typical clay-like particles. The specific saturation magnetization of the loaded LDHs can be increased up to 70 emu/g by using specific post-synthesis treatments.

New magnetic organic-inorganic composites based on hydrotalcite-like anionic clays for drug delivery

International Nuclear Information System (INIS)

Carja, Gabriela; Chiriac, Horia; Lupu, Nicoleta

2007-01-01

The structural 'memory effect' of anionic clays was used to obtain layered double hydroxides (LDHs) with tailored magnetic properties, by loading iron oxides and/or spinel structures on iron partially substituted hydrotalcite-like materials. The obtained magnetic layered structures were further used as precursors for new hybrid nanostructures, such as aspirin-hydrotalcite-like anionic clays. Transmission electron microscopy (TEM) analysis shows that small iron oxide or spinel nanoparticles coexist with the fibrous drug particles on the surface of partially aggregated typical clay-like particles. The specific saturation magnetization of the loaded LDHs can be increased up to 70 emu/g by using specific post-synthesis treatments

Preparation of Pb(Mg1/3Nb2/3)O3 by simultaneous precipitations

International Nuclear Information System (INIS)

Juiz, S.A.; Varela, J.A.; Santilli, C.V.; Pulcinelli, S.H.; Longo, E.

1990-01-01

Pb(Mg 1/3 Nb 2/3 )O 3 was obtained by simultaneous precipitation of Pb(NO 3 ) 2' Mg(NO 3 ) 2 . 6H 2 O and NH 4 H 2 /NbO(C 2 O 4 ) 3 ./3H 2 O in alkaline medium. DTA of the precipitates show the PMN formation between 700 and 750 0 C. XRD on powder calcined at 750 0 C indicates on other phases basiders PMN. Measurements of dielectric constants shows a Curie temperature shifted to -80 0 C. (author) [pt

Density study of the ternary mixture Mg(NO3)2-HNO3-H2O

International Nuclear Information System (INIS)

Jubin, R.T.; Marley, J.L.; Counce, R.M.

1985-06-01

Densities for the Mg(NO 3 ) 2 -HNO 3 -H 2 O system have been experimentally measured; more than 140 measurements were made covering ranges of 30 to 70 wt % Mg(NO 3 ) 2 , 0 to 40 wt % HNO 3 , and temperatures of 50 to 145 0 C. A mathematical model for the observed density relationships has been developed. 6 refs., 3 figs., 8 tabs

Mg/Al HYDROTALCITE-LIKE SYNTHESIZED FROM BRINE WATER FOR EOSIN YELLOW REMOVAL

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Eddy Heraldy

2011-11-01

Full Text Available Attempts to synthesis of Mg/Al HTlc using magnesium from several raw material resources are widely investigated. One of raw material would purpose as source of magnesium to synthesis of Mg/Al HTlc is brine water which is well known as the desalination process wastewater. Mg/Al HTlc are widely investigated for their potential applications in research and industrial processes as adsorbents, anionic exchange, catalysts and /or catalyst precursors for the preparation of inorganic materials and pharmaceutical industry excipients. As adsorbents, Mg/Al HTlc are receiving greater interests in the environmental community due to their high adsorption capacity. However, there is no literature available on the synthesis of Mg/Al HTlc from brine water except from artificial seawater. The objective of this research is to synthesis of Mg/Al HTlc from brine water and its ability tested for eosin yellow (EY removal. Characterization of the Mg/Al HTlc synthesized was confirmed through X-ray Diffraction and FT-IR Spectroscopy. The effect of various experimental parameters was investigated using a batch adsorption technique. In this manner, the adsorption isotherms, adsorption kinetics, and pH effects upon EY adsorption on Mg/Al HTlc were examined. The result showed that EY data fit well with the pseudo-second order kinetic model. The isothermal data could be well described by the Freundlich equation. The adsorption capacity was 2.41 × 10-1 mol g-1, and adsorption energy of EY was 24.89 kJ mol-1.

Aerobic Oxidation of Alcohols to Carbonyl Compounds Catalyzed by ...

Indian Academy of Sciences (India)

Hydrotalcite-like compounds; cobalt porphyrin; alcohol oxidation; ... cient catalytic method for the low temperature oxy- ... nitrate,8 acetaldehyde,9 ammonium salts10 and NO2,11 ..... N, Sakurai H and Tsukuda T 2009 Effect of electronic.

Development of Ni-Based Catalysts Derived from Hydrotalcite-Like Compounds Precursors for Synthesis Gas Production via Methane or Ethanol Reforming

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Ya-Li Du

2017-02-01

Full Text Available As a favorably clean fuel, syngas (synthesis gas production has been the focus of concern in past decades. Substantial literatures reported the syngas production by various catalytic reforming reactions particularly in methane or ethanol reforming. Among the developed catalysts in these reforming processes, Ni-based catalysts from hydrotalcite-like compounds (HTLcs precursors have drawn considerable attention for their preferable structural traits. This review covers the recent literature reporting syngas production with Ni-based catalysts from HTLc precursors via methane or ethanol reforming. The discussion was initiated with catalyst preparation (including conventional and novel means, followed by subsequent thermal treatment processes, then composition design and the addition of promoters in these catalysts. As Ni-based catalysts have thermodynamic potential to deactivate because of carbon deposition or metal sintering, measures for dealing with these problems were finally summarized. To obtain optimal catalytic performances and resultantly better syngas production, based on analyzing the achievements of the references, some perspectives were finally proposed.

Vanadium oxides supported on hydrotalcite-type precursors: the effect of acid-base properties on the oxidation of isopropanol

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D. M. Meira

2006-09-01

Full Text Available Vanadium oxide supported on hydrotalcite-type precursors was studied in the oxidation of isopropanol. Hydrotalcites with different y = Mg/Al ratios were synthesized by the method of coprecipitation nitrates of Mg and Al cations with K2CO3 as precipitant. The decomposition of these hydrotalcite precursors at 450°C yielded homogeneous MgyAlOx mixed oxides that contain the Al+3 cations totally incorporated into the MgO framework. The materials were characterized by chemical analysis, BET superficial area, X-ray diffraction, temperature-programmed reduction (TPR and the reaction of isopropanol, a probe molecule used to evaluate the acid-base properties. The results of TPR showed that the reducibility of V+5 decreased with the increase in magnesium loading in catalysts. The X-ray diffraction patterns of Al-rich hydrotalcite precursors showed the presence of crystalline phases of brucite and gibbsite. It was shown that chemical composition, texture, acid-base properties of the active sites and also Mg/Al ratio strongly affect the formation of the products in the oxidation of isopropanol. The Al-rich catalysts were much more active than the Mg-rich ones, converting isopropanol mainly to propylene.

Vanadium oxides supported on hydrotalcite-type precursors: the effect of acid base properties on the oxidation of isopropanol

Energy Technology Data Exchange (ETDEWEB)

Meira, D.M.; Cortez, G.G. [Faculdade de Engenharia Quimica de Lorena, Lorena, SP (Brazil). Dept. de Engenharia Quimica. Lab. de Catalise II]. E-mail: cortez@dequi.faenquil.br; Monteiro, W.R.; Rodrigues, J.A.J. [Instituto Nacional de Pesquisas Espaciais (INPE), Sao Jose dos Campos, SP (Brazil). Lab. Associado de Combustao e Propulsao]. E-mail: jajr@lcp.inpe.br

2006-07-15

Vanadium oxide supported on hydrotalcite-type precursors was studied in the oxidation of isopropanol. Hydrotalcites with different y = Mg/Al ratios were synthesized by the method of coprecipitation nitrates of Mg and Al cations with K{sub 2}CO{sub 3} as precipitant. The decomposition of these hydrotalcite precursors at 450 deg C yielded homogeneous MgyAlOx mixed oxides that contain the Al{sup +3} cations totally incorporated into the MgO framework. The materials were characterized by chemical analysis, BET superficial area, X-ray diffraction, temperature-programmed reduction (TPR) and the reaction of isopropanol, a probe molecule used to evaluate the acid-base properties. The results of TPR showed that the reducibility of V{sup +5} decreased with the increase in magnesium loading in catalysts. The X-ray diffraction patterns of Al-rich hydrotalcite precursors showed the presence of crystalline phases of brucite and gibbsite. It was shown that chemical composition, texture, acid-base properties of the active sites and also Mg/Al ratio strongly affect the formation of the products in the oxidation of isopropanol. The Al-rich catalysts were much more active than the Mg-rich ones, converting isopropanol mainly to propylene. (author)

Influence of Ni content on physico-chemical characteristics of Ni, Mg, Al-Hydrotalcite like compounds

Directory of Open Access Journals (Sweden)

Alexandre Carlos Camacho Rodrigues

2003-12-01

Full Text Available The physico-chemical properties of a series of Ni,Mg,Al-HTLC with Al/(Al+Mg+Ni = 0.25 and low Ni/Mg ratios were studied by means of X-ray diffraction (XRD, thermogravimetric (TGA and thermodifferential (DTA analysis, N2 physissorption and temperature programmed reduction (TPR. The as-synthesized materials were well-crystallized, with XRD patterns typical of the HTLCs in carbonate form. Upon calcination and dehydration the dehydroxilation of the layers with concurrent decomposition of carbonate anions produced mixed oxides with high surface area. XRD analysis indicated that the different nickel and aluminum oxides species are well-dispersed in a poor-crystallized MgO periclase-type phase. As observed by TPR, the different Ni species showed distinct interactions with Mg(AlO phase, which were influenced by both nickel content and calcination temperature. Regardless of the the nickel content, the reduction of nickel species was not complete as indicated by the presence of metallic dispersions.

Partial oxidation of methane over Ni/Mg/Al/La mixed oxides prepared from layered double hydrotalcites

Energy Technology Data Exchange (ETDEWEB)

Zhang, Jun [Low Carbon Energy Conversion Center, Shanghai Advanced Research Institute, Chinese Academy of Sciences, Shanghai 201203 (China); State Key Laboratory of Coal Conversion, Institute of Coal Chemistry, Chinese Academy of Sciences, Taiyuan 030001, Shanxi (China); Graduate University of Chinese Academy of Sciences, Beijing 100049 (China); Zhao, Ning; Wei, Wei [State Key Laboratory of Coal Conversion, Institute of Coal Chemistry, Chinese Academy of Sciences, Taiyuan 030001, Shanxi (China); Sun, Yuhan [Low Carbon Energy Conversion Center, Shanghai Advanced Research Institute, Chinese Academy of Sciences, Shanghai 201203 (China); State Key Laboratory of Coal Conversion, Institute of Coal Chemistry, Chinese Academy of Sciences, Taiyuan 030001, Shanxi (China)

2010-11-15

A series of Ni/Mg/Al/La mixed oxides prepared by thermal decomposition of layered double hydrotalcites (HT) were characterized by XRD, ICP, EXAFS, TGA, TPR-H{sub 2}, SEM, and N{sub 2} adsorption/desorption technique. The results revealed the formation of periclase-type catalysts with mesoporous structure, and the addition of La{sup 3+} lowered the phase crystallization with the formation of small oxide particles. Such catalysts had both high activities and stabilities toward partial oxidation of methane (POM). The catalyst containing 6.5 mol.% La{sup 3+} showed the highest performance at 1053 K with CH{sub 4} conversion of 99%, CO selectivity of 93% and H{sub 2} selectivity of 96%, which could be attributed to the presence of highly dispersed nickel and then the resistance to coke formation due to the promotion effect of lanthanum. (author)

Effect of the gamma radiation in hydrotalcite with chromates; Efecto de la Radiacion Gamma en Hidrotalcitas con Cromatos

Energy Technology Data Exchange (ETDEWEB)

Martinez G, S. [Facultad de Ciencias, Universidad Autonoma del Estado de Mexico, Instituto Literario No. 100 Col. Centro, 50000 Toluca, Estado de Mexico (Mexico); Bulbulian, S. [ININ, Carr. Mexico-Toluca Km. 36.5, 52045 Ocoyoacac, Estado de Mexico (Mexico)]. e-mail: soniakorn@yahoo.com

2004-07-01

At the moment the generation of radioactive wastes is topic of numerous studies. In this work was retained anionic material, chromates, in hydrotalcite that are anionic exchangers. It was proposed to warm the HT at different temperatures of 600 C up to 1200 C with the purpose of immobilizing the chromium inside the hydrotalcite. To high temperatures (1000 and 1200 C) it was formed one spinel (MgCr{sub 2}O{sub 4}) that is a very stable compound. It was found that when increasing the heating temperature, the anions are retained strongly. The immobilization of the Cr was determined through the chromium lixiviation with solutions 1N and 5N of NaCl. Also it was studied the effect of the radiation on the heated materials. The radiation dose used for it was of 1000 and 6000 kGy. The results show that for the calcined samples at 1000 and 1200 C irradiated or no irradiated, the chromium is strongly retained in form of spinels that is the structure formed after the calcination of the material. (Author)

Formation of hydrotalcite in aqueous solutions and intercalation of ATP by anion exchange.

Science.gov (United States)

Tamura, Hiroki; Chiba, Jun; Ito, Masahiro; Takeda, Takashi; Kikkawa, Shinichi; Mawatari, Yasuteru; Tabata, Masayoshi

2006-08-15

The formation reaction and the intercalation of adenosine triphosphate (ATP) were studied for hydrotalcite (HT), a layered double hydroxide (LDH) of magnesium and aluminum. Hydrotalcite with nitrate ions in the interlayer (HT-NO(3)) was formed (A) by dropwise addition of a solution of magnesium and aluminum nitrates (pH ca. 3) to a sodium hydroxide solution (pH ca. 14) until the pH decreased from 14 to 10 and (B) by dropwise addition of the NaOH solution to the solution of magnesium and aluminum nitrates with pH increasing from 3 to 10. The precipitate obtained with method B was contaminated with aluminum hydroxide and the crystallinity of the product was low, possibly because aluminum hydroxide precipitates at pH 4 or 5 and remains even after HT-NO(3) forms at pH above 8. With method A, however, the precipitate was pure HT-NO(3) with increased crystallinity, since the solubility of aluminum hydroxide at pH above and around 10 is high as dissolved aluminate anions are stable in this high pH region, and there was no aluminum hydroxide contamination. The formed HT-NO(3) had a composition of [Mg(0.71)Al(0.29)(OH)(2)](NO(3))(0.29).0.58H(2)O. To intercalate ATP anions into the HT-NO(3), HT-NO(3) was dispersed in an ATP solution at pH 7. It was found that the interlayer nitrate ions were completely exchanged with ATP anions by ion exchange, and the interlayer distance expanded almost twice with a free space distance of 1.2 nm. The composition of HT-ATP was established as [Mg(0.68)Al(0.32)(OH)(2)](ATP)(0.080)0.88H(2)O. The increased distance could be explained with a calculated molecular configuration of the ATP as follows: An ATP molecule is bound to an interlayer surface with the triphosphate group, the adenosine group bends owing to its bond angles and projects into the interlayer to a height of 1 nm, and the adenosine groups aligned in the interlayer support the interlayer distance.

Hydrotalcite catalysis for the synthesis of new chiral building blocks.

Science.gov (United States)

Rodilla, Jesus M; Neves, Patricia P; Pombal, Sofia; Rives, Vicente; Trujillano, Raquel; Díez, David

2016-01-01

The use of hydrotalcites for the synthesis of two chiral building blocks in a simple way is described as a new and green methodology. The synthesis of these compounds implies a regioselective Baeyer-Villiger reaction in a very selective way with ulterior opening and lactonisation. This methodology should be considered green for the use of hydrogen peroxide as the only oxidant and hydrotalcites as the catalyst, and because no residues are produced apart from water. The procedure is very adequate for using in gram scale, in order to increase the value of the obtained compounds. The conditions are excellent and can be applied for nonstable compounds, as they are very mild. The synthesised compounds are magnific starting materials for the synthesis of biologically active or natural compounds. The use of a cheap, commercial and chiral compound as carvone disposable in both enantiomeric forms adds an extra value to this methodology.

Optimization of the 99m Tc generator with hydrotalcite as support of 99 Mo

International Nuclear Information System (INIS)

Aranda O, N.

2004-01-01

, which doesn't take place in Mexico and it has to be cared from Canada, at a cost of $361 USD for Ci. Presently work the results are described obtained when investigating the use of the 99 Mo of low specific activity for the optimization of the generator of 99m Tc using hydrotalcite with different molar ratio of x (x = Al 3+ /(AI 3+ + Mg 2+ )) like support of the 99 Mo. (Author)

Effect of radiation on hydrotalcites with chromates; Efecto de la radiacion en hidrotalcitas con cromatos

Energy Technology Data Exchange (ETDEWEB)

Martinez G, S.; Bulbulian, S. [Instituto Nacional de Investigaciones Nucleares, A.P. 18-1027, 11801 Mexico D.F. (Mexico)

2002-07-01

Nowadays the generation of radioactive wastes is matter of several studies. In this work anion material, chromates, in hydrotalcite are retained which are anion exchangers. It was proposed to heat the hydrotalcite until temperature of 1200 C with the purpose to form the (MgAl{sub 2}O{sub 4}) spinel is very stable and in this way to immobilize strongly the anions. The effect of radiation on this compound and in particular the chromium lixiviation with solution 1N NaCl. It was found that in all case, the anions are strongly retained in the spinel formed. The radiation dose used for this was 100 Mrad, the samples were treated with NaCl 1N for studying the Cr lixiviation. The results show that for the calcined samples at 1200 C and irradiated there are not chromium escapes, which indicates that it is strongly retained in the spinel that is the formed structure after of the material calcination. (Author)

{sup 99}Mo sorption by thermally treated hydrotalcites

Energy Technology Data Exchange (ETDEWEB)

Serrano, J.; Bertin, V.; Bulbulian, S.

2000-04-04

MoO{sub 4}{sup {minus}2} ions were sorbed in calcined hydrotalcite contained in a column. It was found that 98% of {sup 99m}Tc formed by {sup 99}Mo decay was eluted through the column in the form of pertechnetate. The content of radionuclides was determined by {gamma}-spectrometry, and natural molybdenum was measured by neutron activation analysis. Solids were characterized by thermal analysis, X-ray diffraction, and infrared spectroscopy. Through batch experiments, the hydrotalcite capacity toward molybdate ions (1.12 x 10{sup {minus}3} M) was found to be 3.2 mequiv g{sup {minus}1}. It was found that the high molybdate adsorbing capacity of calcined hydrotalcite could be utilized in designing a {sup 99m}Tc generator made with low specific activity {sup 99}Mo-molybdate samples.

The effect of synthesis temperature on the formation of hydrotalcites in Bayer liquor: a vibrational spectroscopic analysis.

Science.gov (United States)

Palmer, Sara J; Frost, Ray L

2009-07-01

The seawater neutralization process is currently used in the alumina industry to reduce the pH and dissolved metal concentrations in bauxite refinery residues through the precipitation of Mg, Al, and Ca hydroxide and carbonate minerals. This neutralization method is very similar to the co-precipitation method used to synthesize hydrotalcite (Mg6Al2(OH)16CO3.4H2O). This study looks at the effect of temperature on the type of precipitates that form from the seawater neutralization process of Bayer liquor. The Bayer precipitates have been characterized by a variety of techniques, including X-ray diffraction (XRD), Raman spectroscopy, and infrared spectroscopy. The mineralogical composition of Bayer precipitates largely includes hydrotalcite, hydromagnesite, and calcium carbonate species. Analysis with XRD determined that Bayer hydrotalcites that are synthesized at 55 degrees C have a larger interlayer distance, indicating that more anions are removed from Bayer liquor. Vibrational spectroscopic techniques have identified an increase in hydrogen bond strength for precipitates formed at 55 degrees C, suggesting the formation of a more stable Bayer hydrotalcite. Raman spectroscopy identified the intercalation of sulfate and carbonate anions into Bayer hydrotalcites using these synthesis conditions.

Evaluation of industrial hydrotalcite for the sulfated water treatment of the Valle de Puebla

International Nuclear Information System (INIS)

Rosano O, G.

2003-01-01

In Puebla City, the drinking water is a scarce natural resource since at the moment it exists a deficit in its supply of more than 700 L/s. Nevertheless, the region has a system of aquifer: a first-aquifer known as superior, which is overexploited, and a half-aquifer characterized by water with gases (H 2 S, CO 2 ), high hardness (1270 mgL -1 as CaCO 3 ) alkalinity (1050 mgL -1 as CaCO 3 ) and high contents of different chemical species of sulfur (985 mgL -1 SO 4 2- , 6.2 mgL -1 S 2- , 43 mgL -1 SO 3 2- ). Up to now the treatment used in the city of Puebla for this type of water consists on the following stages: de gasification, oxidation, treatment of gases, system of softening, clotting/flocculation chemical-physical treatment, load high sedimentation, treatment and dehydration of sludge, quick filtration, inverse osmosis, blended of treated water and disinfection; which represents a complex treatment. The objective of this research, was to find an alternative treatment for this ground water, in order to obtain a drinking water and, consequently, to simplify operations. An industrial hydrotalcite (anionic clay available in large quantities) has been characterized, modified by means of thermal treatment and used. Sorption tests have been made with this hydrotalcite in batch sets and in columns, these experiments have allowed to check how the concentration of the characteristic parameters of the ground water such as the high hardness and the high contents of chemical species of sulfur decrease simultaneously. This removal has allowed to obtain values of these parameters quite below the permissible maximum limits for drinking water according to the mexican norms, with the exception of the p H since values of 10 are obtained (value limit: 6.5 - 8.5). Furthermore, the results of the sorption tests in columns allowed to calculate that a column packed with 8.35 kg of the industrial hydrotalcite modified thermally and granulated to mesh 18-20, and a contact time of t c

Influence of thermal treatments on the basic and catalytic properties of Mg,Al-mixed oxides derived from hydrotalcites

Directory of Open Access Journals (Sweden)

Bastiani R.

2004-01-01

Full Text Available This work studied the influence of calcination conditions on basic properties and catalytic performance of Mg,Al-mixed oxides derived from a hydrotalcite sample (Al/(Al+Mg=0.20. Various heating rates, calcination atmospheres and lengths of calcination at 723K were evaluated. TPD of CO2 and retroaldolization of diacetone alcohol (DAA were used to determine the basic properties of the mixed oxides. The basic site density determined by TPD of CO2 showed a better correlation with catalytic activity for acetone/citral aldol condensation than the relative basicity obtained from retroaldolization of DAA. Calcination atmosphere was the parameter that influenced most the basic and the catalytic properties of the Mg,Al-mixed oxides, with calcination under dry air being the best choice.

Preparation of Fischer-Tropsch catalysts from cobalt/iron hydrotalcites

Energy Technology Data Exchange (ETDEWEB)

Howard, B.H.; Boff, J.J.; Zarochak, M.F. [Pittsburgh Energy Technology Center, PA (United States)] [and others

1995-12-31

Compounds with the (hydrotalcites) have properties that make them attractive as precursors for Fischer-Tropsch catalysts. A series of single-phase hydrotalcites with cobalt/iron atom ratios ranging from 75/25 to 25/75 has been synthesized. Mixed cobalt/iron oxides have been prepared from these hydrotalcites by controlled thermal decomposition. Thermal decomposition at temperatures below 600 {degrees}C typically produced a single-phase mixed metal oxide with a spinel structure. The BET surface areas of the spinal samples have been found to be as high as about 150 m{sup 2}/g. Appropriate reducing pretreatments have been developed for several of these spinels and their activity, selectivity, and activity and selectivity maintenance have been examined at 13 MPa in a fixed-bed microreactor.

Crystal and molecular structure of the coordination compounds of Er3+ with 1-(methoxydiphenylphosphoryl)-2-diphenylphosphorylbenzene [ErL21(NO3)2]2[Er(NO3)2(H2O)5]0.333(NO3)2.333 · 2.833H2O and its ethyl substituted derivative [ErL22(NO3)2][Er(NO3)5]0.5 · 0.5H2O

International Nuclear Information System (INIS)

Polyakova, I. N.; Baulin, V. E.; Ivanova, I. S.; Pyatova, E. N.; Sergienko, V. S.; Tsivadze, A. Yu.

2015-01-01

The coordination compounds of Er 3+ with 1-(methoxydiphenylphosphoryl)-2-diphenylphosphorylbenzene [ErL 2 1 (NO 3 ) 2 ] 2 [Er(NO 3 ) 2 (H 2 O) 5 ] 0.333 (NO 3 ) 2.333 · 2.833H 2 O (I) and its ethyl substituted derivative [ErL 2 2 (NO 3 ) 2 ][Er(NO 3 ) 5 ] 0.5 · 0.5H 2 O (II) are synthesized and their crystal structures are studied. I and II contain [ErL 2 (NO 3 ) 2 ] + complex cations of identical composition and close structure. The eight-vertex polyhedron of the Er atom in the shape of a distorted octahedron with two split trans vertices is formed by the O atoms of the phosphoryl groups of L ligands and nitrate anions. L ligands close nine-membered metallocycles. The structures contain spacious channels which are populated differently, namely, by disordered [Er(NO 3 ) 2 (H 2 O) 5 ] + complex cations, NO 3 − anions, and crystallization water molecules in I and disordered [Er(NO 3 ) 5 ] 2− complex anions and crystallization water molecules in II. The IR spectra of I and II are studied

Conversion of Jatropha curcas oil into biodiesel using re-crystallized hydrotalcite

International Nuclear Information System (INIS)

Helwani, Z.; Aziz, N.; Bakar, M.Z.A.; Mukhtar, H.; Kim, J.; Othman, M.R.

2013-01-01

Graphical abstract: XRD pattern of a mixed oxide and re-crystallized hydrotalcite after contacting with carbonate solution. The sample re-crystallized despite being exposed to high temperature. The increased crystallinity at higher calcination temperature was due to aluminum progressively incorporated into the MgO network. At low temperature, aluminum diffused slowly and did not reach the crystallite core. XRD pattern of (a) mixed oxide at 450 °C, (b) hydrotalcite at 450 °C (c) hydrotalcite at 650 °C and (d) hydrotalcite at 850 °C. - Highlights: • Synthetic hydrotalcite (HT) was prepared from combustion method. • The sample was able to re-crystallize despite being exposed to high temperature. • HT catalyst promoted conversion of Jatropha curcas oil into biodiesel. • Conversion of 75.2% was achieved with promising conditions. - Abstract: Biodiesel production from biomass is considered renewable and the use of biomass offers huge opportunity in bio-based economy market. In this work, biodiesel was produced from Jatropha curcas oil using synthetic hydrotalcite (HT) catalyst. The catalyst was obtained through combustion, in which, saccharose was used as fuel. The highest conversion of jatropha oil to biodiesel at 75.2% was achieved using re-crystallized HT from its mixed oxides when reaction was carried out at 65 °C with a methanol:jatropha oil molar ratio of 12:1, a reaction time of 6 h and a catalyst loading of 4 wt.%. The HT calcined at 850 °C contained medium basic strength sites and suitable pore medium that favored the chemical reaction

Magnetic characteristics of M2FeV3O11 (M = Mg, Zn, Pb, Co, Ni) compounds

Science.gov (United States)

Groń, T.; Blonska-Tabero, A.; Filipek, E.; Stokłosa, Z.; Duda, H.; Sawicki, B.

2018-02-01

The unusual physical characteristics of the multicomponent oxide systems renewed the interest as the potential cathode materials in high-energy cells. Since the earlier magnetic characteristics were not entirely conclusive, we report the results of dc magnetic measurements including higher harmonics of ac magnetic susceptibility of the M2FeV3O11 (M = Mg, Zn, Pb, Co, Ni) compounds. Ferrimagnetic long-range and antiferromagnetic short-range interactions for all compounds under study at low temperatures as well as superparamagnetic-like behavior with the blocking temperature of 29 K and the freezing parameter of 0.013 were observed. These effects are discussed within the framework of superexchange and double exchange magnetic interactions as well as the mixed valence band of iron ions.

Intercalation of papain enzyme into hydrotalcite type layered double hydroxide

Science.gov (United States)

Zou, N.; Plank, J.

2012-09-01

Intercalation of proteolytic enzyme papain into hydrotalcite type LDH structure was achieved by controlled co-precipitation at pH=9.0 in the presence of papain. Characterization of the MgAl-papain-LDH phase was carried out using X-ray powder diffraction (XRD), elemental analysis, infrared spectroscopy (IR) and thermogravimetry (TG). According to XRD, papain was successfully intercalated. The d-value for the basal spacing of MgAl-papain-LDH was found at ˜5.3 nm. Consequently, original papain (hydrodynamic diameter ˜7.2 nm) attains a compressed conformation during intercalation.Formation of MgAl-papain-LDH was confirmed by elemental analysis and transmission electron microscopy (TEM). Under SEM, MgAl-papain-LDH phases appear as nanothin platelets which are intergrown to flower-like aggregates. Steric size and activity of the enzyme was retained after deintercalation from MgAl-LDH framework, as was evidenced by light scattering and UV/vis measurements. Thus, papain is not denatured during intercalation, and LDH is a suitable host structure which can provide a time-controlled release of the biomolecule.

Toxicological evaluation of a novel umami flavour compound: 2-(((3-(2,3-Dimethoxyphenyl-1H-1,2,4-triazol-5-ylthiomethylpyridine

Directory of Open Access Journals (Sweden)

Donald S. Karanewsky

Full Text Available A toxicological evaluation of a umami flavour compound, 2-(((3-(2,3-dimethoxyphenyl-1H-1,2,4-triazol-5-ylthiomethylpyridine (S3643; CAS 902136-79-2, was completed for the purpose of assessing its safety for use in food and beverage applications. S3643 undergoes extensive oxidative metabolism in vitro with rat microsomes producing the S3643-sulfoxide and 4′-hydroxy-S3643 as the major metabolites. In incubations with human microsomes, the O-demethyl-S3643 and S3643-sulfoxide were produced as the major metabolites. In pharmacokinetic studies in rats, the S3643-sulfoxide represents the dominant biotransformation product. S3643 was not found to be mutagenic or clastogenic in vitro, and did not induce micronuclei in CHO-WBL cells. In subchronic oral toxicity studies in rats, the no-observed-adverse-effect-level (NOAEL for S3643 was 100 mg/kg bw/day (highest dose tested when administered in the diet for 90 consecutive days. Keywords: Umami flavour, S3643, FEMA GRAS, Subchronic toxicological evaluation, Genetic toxicological evaluation

Catalysts for liquid phase oxidation of olefins and sulfur compounds; Catalyseurs pour l'oxydation en phase liquide d'olefines et de composes soufres

Energy Technology Data Exchange (ETDEWEB)

Palomeque Santiago, J.F.

2002-07-01

Several basic, acid and acid-base catalysts were studied for the epoxidation of olefins activated or not and dibenzo-thiophene.Hydrotalcite activation by thermic treatment and in situ re-hydration improves catalytic activity for 2-cyclohexene-1-one and isophorone. Bronsted basic sites were found to be more active than Lewis sites. Total conversion of 2-cyclohexene-1-one is reached in 1.5 h in polar solvents. W{sub 7}O{sub 24}{sup 6-} Iso-poly-anion was exchanged onto a meixnerite by a new preparation method, A meso-porous solid was obtained with good catalytic properties for cyclohexene epoxidation 100% selective to epoxide. W{sub 7}O{sub 24}{sup 6-} and WO{sub 5}{sup 2-} anions and phenyl and dodecyl-phospho-tungstates were grafted on hydrotalcites. Due to the acid-base characteristics of these solid catalysts, cyclohexene yields products of allylic reactions. Mg-La, and Mg-Al-La mixed oxides were synthesized and mixed phases were gotten. Their basic characteristics account for hydrogen peroxide decomposition which prevents DBT oxidation reaction to sulfone. On the contrary, Mg-Al re-hydrated hydrotalcites are very active for this reaction and remove 100% of sulfur compounds in 1 hour. New catalyst W-ZrO{sub 2} were synthesized with high acid properties. stable structure with temperature and high DBT conversion in less than 5 minutes of reaction. These catalytic systems can be applied for hydrocarbon desulfurization of fuels like naphtha, gas oil and kerosene. (author)

Vapor-liquid equilibrium of the Mg(NO3)2-HNO3-H2O system

International Nuclear Information System (INIS)

Thompson, B.E.; Derby, J.J.; Stalzer, E.H.

1983-06-01

The vapor-liquid equilibrium of the Mg(NO 3 ) 2 -HNO 3 -H 2 O system in concentrations of 0 to 70 wt % Mg(NO 3 ) 2 and 0 to 75 wt % HNO 3 at atmospheric pressure was correlated by two approaches. One was based on a dissociation equilibrium expression in which the activities of the reacting species (HNO 3 , NO 3 - , and H + ) were approximated with mole fractions. The activity coefficients of the undissociated HNO 3 and H 2 O were correlated as functions of the concentrations of magnesium nitrate and nitric acid by second-order polynomials. The average absolute difference between predicted and experimental values was 8% for the mole fraction of acid in the vapor and 8 0 K for the bubble-point temperature. The second approach was to correlate the mean ionic rational activity coefficient of water with a form of the excess Gibbs energy composed of two terms. One term, a function of the ionic strength, accounts for the coulombic (ionic) interactions; the other term accounts for the non-coulombic (molecular) interactions. The average absolute difference between predicted and experimental values was 9% for the mole fraction of acid in the vapor, and 10 0 K for the bubble-point temperature

Crystal structures of 2-methoxyisoindoline-1,3-dione, 1,3-dioxoisoindolin-2-yl methyl carbonate and 1,3-dioxo-2,3-dihydro-1H-benzo[de]isoquinolin-2-yl methyl carbonate: three anticonvulsant compounds

Directory of Open Access Journals (Sweden)

Fortune Ezemobi

2014-12-01

Full Text Available The title compounds, C9H7NO3, (1, C10H7NO5, (2, and C14H9NO5, (3, are three potentially anticonvulsant compounds. Compounds (1 and (2 are isoindoline derivatives and (3 is an isoquinoline derivative. Compounds (2 and (3 crystallize with two independent molecules (A and B in their asymmetric units. In all three cases, the isoindoline and benzoisoquinoline moieties are planar [r.m.s. deviations are 0.021 Å for (1, 0.04 and 0.018 Å for (2, and 0.033 and 0.041 Å for (3]. The substituents attached to the N atom are almost perpendicular to the mean planes of the heterocycles, with dihedral angles of 89.7 (3° for the N—O—Cmethyl group in (1, 71.01 (4 and 80.00 (4° for the N—O—C(=OO—Cmethyl groups in (2, and 75.62 (14 and 74.13 (4° for the same groups in (3. In the crystal of (1, there are unusual intermolecular C=O...C contacts of 2.794 (1 and 2.873 (1 Å present in molecules A and B, respectively. There are also C—H...O hydrogen bonds and π–π interactions [inter-centroid distance = 3.407 (3 Å] present, forming slabs lying parallel to (001. In the crystal of (2, the A and B molecules are linked by C—H...O hydrogen bonds, forming slabs parallel to (10-1, which are in turn linked via a number of π–π interactions [the most significant centroid–centroid distances are 3.4202 (7 and 3.5445 (7 Å], forming a three-dimensional structure. In the crystal of (3, the A and B molecules are linked via C—H...O hydrogen bonds, forming a three-dimensional structure, which is consolidated by π–π interactions [the most significant inter-centroid distances are 3.575 (3 and 3.578 (3 Å].

Crystal structure of a Ce2Fe2Mg15 compound

International Nuclear Information System (INIS)

Opainich, I.M.; Pavlyuk, V.V.; Bodak, O.I.

1996-01-01

A structure of a new Ce2Fe2Mg15 ternary compound (P63/mmc sp.gr., a=1.0324(5) nm, c=1.02080(4) nm) was determined by powder methods on a DRON-4.07 automatic diffractometer. The structure of a Ce2Fe2Mg15 crystal is a new variant of the ordered Th2Ni17 type superstructure, in which cerium atoms occupy the thorium positions; magnesium atoms occupy the nickel position 6g, 12k, and 12j; and iron atoms occupy the 4f position

Reusable Mg-Al hydrotalcites for the catalytic synthesis of diglycerol dicarbonate from diglycerol and dimethyl carbonate

NARCIS (Netherlands)

Stewart, Joseph A.; Weckhuysen, Bert M.; Bruijnincx, Pieter C A

2014-01-01

Diglycerol dicarbonate, which has been highlighted as a potential monomer for the production of non-isocyanate polyurethanes, has been synthesised using as-synthesised hydrotalcites of varying magnesium-to-aluminium ratio as catalyst materials. The hydrotalcite materials were aged for two different

Effects of Composition and Structure of Mg/Al Oxides on Their Activity and Selectivity for the Condensation of Methyl Ketones

KAUST Repository

Shylesh, Sankaranarayanapillai

2016-09-22

The effects of chemical composition and pretreatment on Mg–Al hydrotalcites and alumina-supported MgO were evaluated for the gas-phase, self-condensation reaction of C3–C5 biomass-derived methyl ketones. We show that the selectivity toward the acyclic dimer enone and the cyclic enone trimer can be tuned by controlling the temperature of hydrotalcite calcination. Methyl ketone cyclization is promoted by Lewis acidic sites present on the hydrotalcite catalysts. XRD and thermal decomposition analysis reveal that the formation of periclase MgO starts above 623 K accompanied by complete disappearance of the hydrotalcite structure and is accompanied by an increase in hydroxyl condensation as the formation of well-crystallized periclase. 27Al MQMAS and 25Mg MAS NMR show that at progressively higher temperatures, Al3+ cations diffuses out of the octahedral brucite layers and incorporate into the tetrahedral and octahedral sites of the MgO matrix thereby creating defects to compensate the excess positive charge generated. The oxygen anions adjacent to the Mg2+/Al3+ defects become coordinatively unsaturated, leading to the formation of new basic sites. A kinetic isotope effect, kH/kD = 0.96, is observed at 473 K for the reaction of (CH3)2CO versus (CD3)2CO, which suggests that carbon–carbon bond formation leading to the dimer aldol product is the rate-determining step in the condensation reaction of methyl ketones. We also show that acid–base catalysts having similar reactivity and higher hydrothermal stability to that of calcined hydrotalcites can be achieved by creating defects in MgO crystallites supported alumina as a consequence of the diffusion of Al3+ cations into MgO. The physical properties of these materials are shown to be very similar to those of hydrotalcite calcined at 823 K.

Effects of Composition and Structure of Mg/Al Oxides on Their Activity and Selectivity for the Condensation of Methyl Ketones

KAUST Repository

Shylesh, Sankaranarayanapillai; Kim, Daeyoup; Gokhale, Amit A.; Canlas, Christian; Struppe, Jochem O.; Ho, Christopher R.; Jadhav, Deepak; Yeh, Alice; Bell, Alexis T.

2016-01-01

The effects of chemical composition and pretreatment on Mg–Al hydrotalcites and alumina-supported MgO were evaluated for the gas-phase, self-condensation reaction of C3–C5 biomass-derived methyl ketones. We show that the selectivity toward the acyclic dimer enone and the cyclic enone trimer can be tuned by controlling the temperature of hydrotalcite calcination. Methyl ketone cyclization is promoted by Lewis acidic sites present on the hydrotalcite catalysts. XRD and thermal decomposition analysis reveal that the formation of periclase MgO starts above 623 K accompanied by complete disappearance of the hydrotalcite structure and is accompanied by an increase in hydroxyl condensation as the formation of well-crystallized periclase. 27Al MQMAS and 25Mg MAS NMR show that at progressively higher temperatures, Al3+ cations diffuses out of the octahedral brucite layers and incorporate into the tetrahedral and octahedral sites of the MgO matrix thereby creating defects to compensate the excess positive charge generated. The oxygen anions adjacent to the Mg2+/Al3+ defects become coordinatively unsaturated, leading to the formation of new basic sites. A kinetic isotope effect, kH/kD = 0.96, is observed at 473 K for the reaction of (CH3)2CO versus (CD3)2CO, which suggests that carbon–carbon bond formation leading to the dimer aldol product is the rate-determining step in the condensation reaction of methyl ketones. We also show that acid–base catalysts having similar reactivity and higher hydrothermal stability to that of calcined hydrotalcites can be achieved by creating defects in MgO crystallites supported alumina as a consequence of the diffusion of Al3+ cations into MgO. The physical properties of these materials are shown to be very similar to those of hydrotalcite calcined at 823 K.

Fused Heterocyclic Compounds as Potent Indoleamine-2,3-dioxygenase 1 Inhibitors.

Science.gov (United States)

Panda, Subhankar; Roy, Ashalata; Deka, Suman Jyoti; Trivedi, Vishal; Manna, Debasis

2016-12-08

Uncontrolled metabolism of l-tryptophan (l-Trp) in the immune system has been recognized as a critical cellular process in immune tolerance. Indoleamine 2,3-dioxygenase 1 (IDO1) enzyme plays an important role in the metabolism of a local l-Trp through the kynurenine pathway in the immune systems. In this regard, IDO1 has emerged as a therapeutic target for the treatment of diseases that are associated with immune suppression like chronic infections, cancer, and others. In this study, we synthesized a series of pyridopyrimidine, pyrazolopyranopyrimidine, and dipyrazolopyran derivatives. Further lead optimizations directed to the identification of potent compounds, 4j and 4l (IC 50 = 260 and 151 nM, respectively). These compounds also exhibited IDO1 inhibitory activities in the low nanomolar range in MDA-MB-231 cells with very low cytotoxicity. Stronger selectivity for the IDO1 enzyme (>300-fold) over tryptophan 2,3-dioxygenase (TDO) enzyme was also observed for these compounds. Hence, these fused heterocyclic compounds are attractive candidates for the advanced study of IDO1-dependent cellular function and immunotherapeutic applications.

Hydrotalcite formation facilitates effective contaminant and radionuclide removal from acidic uranium mine barren lixiviant

International Nuclear Information System (INIS)

Douglas, Grant; Shackleton, Mark; Woods, Peter

2014-01-01

Highlights: • Remediation of barren lixiviant using hydrotalcite precipitation. • High U and rare earth element concentration factor. • Hydrotalcite may be further modified for long-term disposal. • Potential application to U and other commodities. - Abstract: An assessment of hydrotalcite (HT) formation as a method to neutralise acidity and remove trace elements was undertaken using barren lixiviant from Heathgate Resources’ Beverley North in situ recovery (ISR) U mine in South Australia. This study demonstrated proof of concept in terms of the neutralisation of acidity and concomitant removal of a range of trace elements and U–Th series radionuclides from the barren lixiviant using MgCl 2 as a supplementary Mg source to optimise Mg:Al mol ratios and NaOH as the neutralising agent. Hydrotalcite was the predominant mineral formed during neutralisation, hosting a range of elements including substantial U (∼0.2%) and rare earth elements (REE ∼0.1%). High U and REE recovery (∼99%) from barren lixiviant after HT precipitation indicates a potential to both remediate barren lixiviant and to offset remediation costs. Alternatively, HT precipitates formed during barren lixiviant neutralisation may be further stabilised via calcination, silicification or a combination thereof forming minerals potentially amenable for inclusion in a long-term waste repository at the cessation of ISR mining. Importantly, the composition of the neutralised barren lixiviant produced via HT precipitation is similar to that of existing groundwater allowing for the possibility of direct aquifer re-injection after remediation. A potential exists to apply this HT-based remediation technology to conventional or ISR U mines (or mines exploiting other commodities) and allows for the prospect of a fully integrated ISR mining, processing and lixiviant remediation strategy consistent with stringent environmental and mine closure standards

Preparation and characterization of stable copper/zinc oxide/alumina catalysts for methanol synthesis

Energy Technology Data Exchange (ETDEWEB)

Hoeppener, R H; Doesburg, E B; Scholten, J J

1986-08-15

A series of Cu/ZnO/Al/sub 2/O/sub 3/ catalysts for the low pressure methanol synthesis has been prepared by coprecipitation with a sodium carbonate solution from solutions of a mixture of the corresponding metal nitrates, followed by drying, calcination and reduction. The catalysts and their precursors were analyzed by techniques like X-ray diffraction, X-ray line broadening, differential thermal analysis, chemical analysis, adsorptive decomposition of N/sub 2/O and B.E.T.-measurements. The catalytic activity for the methanol synthesis was determined in a flow reactor under industrial conditions. Depending on the metal ion ratio in the initial metal nitrate solutions different compounds were formed during coprecipitation, like rosasite, malachite, Cu, Zn-hydrotalcite and a ternary compound which was called roderite. Its structure is unknown and it contains, besides Zn/sup 2+/, up to 28 at% Cu/sup 2+/ and up to 17 at% Al/sup 3+/. Addition of 7 at% Mg/sup 2+/ stabilizes the Cu, Zn-hydrotalcite structure but leads to a drastic decrease in catalytic activity. The rate of methanol production depends on the phase composition of the precursors. Rosasite containing precursors give the highest activity; hydrotalcite proves to be an excellent catalyst stabilizer which evokes the formation of small Cu and ZnO particles. Mg/sup 2+/ inhibits methanol production. 6 figs., 1 tab., 18 refs.

Intercalation of cellulase enzyme into a hydrotalcite layer structure

Science.gov (United States)

Zou, N.; Plank, J.

2015-01-01

A new inorganic-organic hybrid material whereby cellulase enzyme is incorporated into a hydrotalcite type layered double hydroxide (LDH) structure is reported. The Mg2Al-cellulase-LDH was synthesized via co-precipitation from Mg/Al nitrate at pH=9.6. Characterization was performed using X-ray powder diffraction (XRD), small angle X-ray scattering (SAXS), elemental analysis, infrared spectroscopy (IR) and thermogravimetry (TG). From XRD and SAXS measurements, a d-value of ~5.0 nm was identified for the basal spacing of the Mg2Al-cellulase-LDH. Consequently, the cellulase enzyme (hydrodynamic diameter ~6.6 nm) attains a slightly compressed conformation when intercalated. Formation of the LDH hybrid was also confirmed via scanning electron microscopy (SEM) and transmission electron microscopy (TEM). Mg2Al-cellulase-LDH phases appear as ~20 nm thin foils which are intergrown to flower-like aggregates. Activity of the enzyme was retained after deintercalation from the Mg2Al-LDH framework using anion exchange. Accordingly, cellulase is not denatured during the intercalation process, and LDH presents a suitable host structure for time-controlled release of the biomolecule.

Tungsten effect over co-hydrotalcite catalysts to produce hydrogen from bio-ethanol

Energy Technology Data Exchange (ETDEWEB)

Contreras, J.L.; Ortiz, M.A.; Luna, R.; Nuno, L. [Univ. Autonoma Metropolitana-Azcapozalco, Mexico City (Mexico). Dept. de Energia; Fuentes, G.A. [Univ. Autonoma Metropolitana-Iztapalapa, Mexico City (Mexico). Dept. de IPH; Salmones, J.; Zeifert, B. [Inst. Politecnico Nacional, Mexico City (Mexico); Vazquez, A. [Inst. Mexicano del Petroleo, Mexico City (Mexico)

2010-07-15

The use of bioethanol has been considered for generating hydrogen via catalytic reforming. The reaction of ethanol with stream is strongly endothermic and produces hydrogen (H{sub 2}) and carbon dioxide (CO{sub 2}). However, undesirable products such as carbon monoxide (CO) and methane (CH{sub 4}) may also form during the reaction. This paper reported on the newly found stabilization effect of tungsten over the Co-hydrotalcite catalysts to produce H{sub 2} from ethanol in steam reforming. The catalysts were characterized by nitrogen (N{sub 2}) physisorption (BET area), X-ray diffraction, Infrared, Raman and UV-vis spectroscopies. Catalytic evaluations were determined using a fixed bed reactor with a water/ethanol mol ratio of 4 at 450 degrees C. The tungsten concentration studied was from 0.5 to 3 wt percent. The intensity of crystalline reflections of the Co-hydrotalcite catalysts decreased as tungsten concentration increased. Infrared spectroscopy was used to determine the superficial chemical groups, notably -OH, H{sub 2}O, Al-OH, Mg-OH, W-O-W and CO{sub 3}{sup 2.} The highest H{sub 2} production and the best catalytic stability was found in catalysts with low tungsten. The smallest pore volume of this catalyst could be related with long residence times of ethanol in the pores. Tungsten promoted the conversion for the Co-hydrotalcite catalysts. The reaction products were H{sub 2}, CO{sub 2}, CH{sub 3}CHO, CH{sub 4} and C{sub 2}H{sub 4} and the catalysts did not produce CO. 33 refs., 2 tabs., 10 figs.

Trends of NO-, NO 2-, and NH 3-emissions from gasoline-fueled Euro-3- to Euro-4-passenger cars

Science.gov (United States)

Heeb, Norbert V.; Saxer, Christian J.; Forss, Anna-Maria; Brühlmann, Stefan

Vehicular emissions of reactive nitrogen compounds (RNCs) such as nitric oxide (NO), nitrogen dioxide (NO 2), and ammonia (NH 3) have a substantial impact on urban air quality. NO and NO 2 support the photochemical formation of ozone, and NH 3 is involved in the atmospheric formation of secondary aerosols. Vehicular NO is mainly formed during combustion, whereas NO 2 and NH 3 are both secondary pollutants of the catalytic converter systems. Herein we report on tail-pipe RNC emissions of gasoline-fueled Euro-3- and Euro-4-passenger cars at transient driving from 0 to 150 km h -1. Two sets of 10 in-use vehicles with comparable engine size and mileage were studied with time-resolved chemical ionization-mass spectrometry (CI-MS). Each vehicle was tested in 7 different driving cycles including the legislative European (EDC) and the US FTP-75 driving cycles. Mean emission factors (EFs) for different traffic situations are reported and effects of cold start, velocity, acceleration, and deceleration are discussed. Furthermore, critical operating conditions supporting the de novo formation of NH 3 have been identified. In the EDC, mean NO- and NH 3-EFs of 57±26 and 16±12 mg km -1 were obtained for Euro-3-vehicles; those of the Euro-4-technology were lower by about 25% and 33% at the levels of 43±46 and 10±7 mg km -1, respectively. NO 2 emissions of the investigated three-way catalyst (TWC) vehicles accounted for exhaust. Velocity and acceleration had pronounced effects on the RNC emission characteristics. Mean velocity-dependent EFs for NO and NH 3 varied by about one order of magnitude from 10 to 74 and 15 to 161 mg km -1 for Euro-3-vehicles and from 12 to 44 and 7 to 144 mg km -1 for the Euro-4 fleet. We conclude that the investigated Euro-3- and Euro-4-vehicles are mainly operated under slightly reducing conditions, where the NH 3 emissions dominate over those of the NO. Under these conditions, both vehicle fleets on an average fulfilled the valid Euro-3 and Euro-4

Characterization of surfactant/hydrotalcite-like clay/glassy carbon modified electrodes: Oxidation of phenol

International Nuclear Information System (INIS)

Hernandez, Maria; Fernandez, Lenys; Borras, Carlos; Mostany, Jorge; Carrero, Hermes

2007-01-01

The characteristics of hydrotalcite (HT)-like clay films containing ionic and nonionic surfactants and their ability to oxidize phenol have been examined. The HT clay (Co/Al-NO 3 ) was synthesized by coprecipitation techniques and then modified with surfactants such as sodium dodecylbenzenesulfonate (SDBS), octylphenoxypolyethoxyethanol (TX100) or cetylpyridinium bromide (CPB). X-ray diffraction analysis revealed that the interlayer basal spacing varied depending on the type of surfactant retained by the HT. The presence of SDBS and CPB expanded the HT interlayer, which in the presence of TX100 did not show an appreciable change. Phenol oxidation is favored at surfactant-HT-GC modified electrodes, after a preconcentration time, compared to phenol oxidation at HT-GC or GC electrodes. Surfactant-HT-GC modified electrodes display good stability in continuous electrochemical phenol oxidation. At pH values between 6 and 10.8, both SDBS-HT-GC and TX100-HT-GC modified electrodes seem to be promising electrodes for the detection of phenol in water; while the CPB-HT-GC modified electrode should be affected by the inorganic anions

Measured Hugoniot states of a two-element fluid, O2 + N2, near 2 Mg/m3

International Nuclear Information System (INIS)

Schott, G.L.

1983-01-01

Measured single-shock Hugoniot quantities are reported for a 1:1 atomic mixture of the elements oxygen and nitrogen in each of two liquid initial states. One of these is the inert equimolar solution O 2 + N 2 , at T approx. = 85K, v approx. = 1.06 m 3 /Mg; the other is the pure explosive compound nitric oxide, NO, at T approx. = 122K, v approx. = 0.79 m 3 /Mg. First-shock pressures are in the range 10 to 30 GPa. The two Hugoniots have common values of specific volumes and energies near 20 GPa; that is, they intersect. This permits a novel test of attainment of steady waves with equilibrium composition, such that a single equation of state may describe the shocked reactive fluid. 5 figures

Sorption of phenol and phenol derivatives in hydrotalcite

International Nuclear Information System (INIS)

Avina G, E.I.

2002-01-01

One of the main problems in Mexico and in the World is the waste water pollution of a great variety of industrial processes by organic compounds. Among those ones the phenol compounds which are highly toxic, refractories (to the chemical degradation) and poorly biodegradable. This is due in a large extent to the problem created by the accelerated increase in the environmental pollution in the cities and industrial centers. The phenol compounds are used in a great variety of industries such as the production of resins, plasticizers, antioxidants, pesticides, colourings, disinfectants, etc. These phenol compounds are specially harmful, since they have repercussions on the flora of plants of biological treatment of water affecting its operation. The main objective of this work is to evaluate the capacities of phenol detention and its derivatives in an hydrotalcite type compound and diminishing with it the presence in water, in this case, of solutions prepared in the laboratory. In order to analyse this elimination process was used a methodology based in the carrying out in batch experiments and in the elaboration of a sorption isotherm. It is worth pointing out that this work was realized at laboratory scale, at relatively high phenol concentration ratio. With the obtained results when the sorption properties are evaluated the calcined hydrotalcite (HTC) for detaining phenol and p-chloro phenol it was observed that it is detained greater quantity of p-chloro phenol than phenol in the HTC. The detention of these phenol compounds in the HTC is due to the memory effect by the hydrotalcite regeneration starting from the oxides which are formed by the burning material. (Author)

Energetic prediction on the stability of A2Mg12Si7, A2Mg4Si3, and AMgSi in the A2Si–Mg2Si system (A = Ca, Sr and Ba) and their calculated electronic structures

International Nuclear Information System (INIS)

Imai, Yoji; Mori, Yoshihisa; Nakamura, Shigeyuki; Takarabe, Ken-ichi

2014-01-01

Highlights: • Formation energies of A 2 Mg 4 Si 3 , A 2 Mg 12 Si 7 , and AMgSi (A = Ca,Sr,Ba) were calculated. • All AMgSi are quite stable compared to mixture of A 2 Si and Mg 2 Si. • Ba 2 Mg 4 Si 3 and Sr 2 Mg 4 Si 3 are predicted to be stable, but Ca 2 Mg 4 Si 3 is not. • Ca 2 Mg 12 Si 7 and Sr 2 Mg 12 Si 7 are energetically unstable. • Stability of Ba 2 Mg 12 Si 7 is a tender subject. -- Abstract: In order to evaluate the relative stability of A 2 Mg 4 Si 3 , A 2 Mg 12 Si 7 , and AMgSi (A = Ca, Sr, and Ba) in the A 2 Si–Mg 2 Si system, electronic energy changes in the formation of these compounds were calculated using a density-functional theory with the Perdew–Wang generalized gradient approximations. It was found that (1) AMgSi’s are quite stable compared to equi-molar mixture of A 2 Si and Mg 2 Si, (2) Ba 2 Mg 4 Si 3 and Sr 2 Mg 4 Si 3 are also stable, (3) Ca 2 Mg 4 Si 3 and Ca 2 Mg 12 Si 7 are less stable than the mixture of CaMgSi and Mg 2 Si, and (4) Stability of Ba 2 Mg 12 Si 7 is a tender subject and Sr 2 Mg 12 Si 7 is energetically unstable compared to the mixture of Sr 2 Mg 4 Si 3 (or, SrMgSi) and Mg 2 Si. The presence of Sr 2 Mg 12 Si 7 may be due to the vibrational and/or configurational entropy, which are not treated in the present study. From the calculated electronic densities of state, complex compounds of SrMgSi and Mg 2 Si have both p-type and n-type character, depending on the ratio of SrMgSi and Mg 2 Si in that compound

On the influence and role of alkali metals on supported and unsupported activated hydrotalcites for CO2 sorption

NARCIS (Netherlands)

Meis, N.N.A.H.; Bitter, J.H.; de Jong, K.P.

2013-01-01

To increase the CO2 capture capacity of hydrotalcites, the influence of alkali (K, Na) metal carbonate loading of activated supported and unsupported hydrotalcites (HTact) on their CO2 capture properties was investigated. The alkali-loaded supported hydrotalcites adsorb at 523 K, depending on the

Continuous-Flow O-Alkylation of Biobased Derivatives with Dialkyl Carbonates in the Presence of Magnesium-Aluminium Hydrotalcites as Catalyst Precursors.

Science.gov (United States)

Cattelan, Lisa; Perosa, Alvise; Riello, Piero; Maschmeyer, Thomas; Selva, Maurizio

2017-04-10

The base-catalysed reactions of OH-bearing biobased derivatives (BBDs) including glycerol formal, solketal, glycerol carbonate, furfuryl alcohol and tetrahydrofurfuryl alcohol with non-toxic dialkyl carbonates (dimethyl and diethyl carbonate) were explored under continuous-flow (CF) conditions in the presence of three Na-exchanged Y- and X-faujasites (FAUs) and four Mg-Al hydrotalcites (HTs). Compared to previous etherification protocols mediated by dialkyl carbonates, the reported procedure offers substantial improvements not only in terms of (chemo)selectivity but also for the recyclability of the catalysts, workup, ease of product purification and, importantly, process intensification. Characterisation studies proved that both HT30 and KW2000 hydrotalcites acted as catalyst precursors: during the thermal activation pre-treatments, the typical lamellar structure of the hydrotalcite was broken down gradually into a MgO-like phase (periclase) or rather a magnesia-alumina solid solution, which was the genuine catalytic phase. © 2017 Wiley-VCH Verlag GmbH & Co. KGaA, Weinheim.

Intercalation of diclofenac in modified Zn/Al hydrotalcite-like preparation

Science.gov (United States)

Heraldy, E.; Suprihatin, R. W.; Pranoto

2016-02-01

The intercalation of a pharmaceutically active material diclofenac into modified Zn/Al Hydrotalcite-like (Zn/Al HTlc) preparation has been investigated by the coprecipitation and ion exchange method, respectively. The synthetic materials were characterized using X- Ray Diffraction (XRD); Fourier transforms infrared spectroscopy (FTIR); Scanning Electron Microscope (SEM); X-Ray Fluorescence (XRF) and surface area analyzer. The results show that the basal spacing of the product was expanded to 11.03 A for direct synthesis and 10.68 A for indirect synthesis, suggesting that diclofenac anion was intercalated into Zn/Al HTlc and arranged in a tilted bilayer fashion and the specific surface area of material increased after the intercalation of diclofenac.

Synthesis and characterization of an energetic compound Cu(Mtta)2(NO3)2 and effect on thermal decomposition of ammonium perchlorate

International Nuclear Information System (INIS)

Yang, Qi; Chen, Sanping; Xie, Gang; Gao, Shengli

2011-01-01

Highlights: ► A new energetic compound Cu(Mtta) 2 (NO 3 ) 2 has been synthesized and structural characterized. ► Sensitivity tests reveal that the compound is insensitive to mechanical stimuli. ► Cu(Mtta) 2 (NO 3 ) 2 accelerates the decomposition of Ammonium perchlorate (AP), which is the key component of composite solid propellant. - Abstract: An energetic coordination compound Cu(Mtta) 2 (NO 3 ) 2 has been synthesized by using 1-methyltetrazole (Mtta) as ligand and its structure has been characterized by X-ray single crystal diffraction. The central copper (II) cation was coordinated by four O atoms from two Mtta ligands and two N atoms from two NO 3 − anions to form a six-coordinated and distorted octahedral structure. 2D superamolecular layer structure was formed by the extensive intermolecular hydrogen bonds between Mtta ligands and NO 3 − anions. Thermal decomposition process of the compound was predicted based on DSC and TG-DTG analyses results. The kinetic parameters of the first exothermic process of the compound were studied by the Kissinger's and Ozawa–Doyle's methods. Sensitivity tests revealed that the compound was insensitive to mechanical stimuli. In addition, compound was explored as additive to promote the thermal decomposition of ammonium perchlorate (AP) by differential scanning calorimetry.

Fabrication of hydrophobic surface with hierarchical structure on Mg alloy and its corrosion resistance

International Nuclear Information System (INIS)

Wang Jun; Li Dandan; Liu Qi; Yin Xi; Zhang Ying; Jing Xiaoyan; Zhang Milin

2010-01-01

A hydrotalcite/hydromagnesite conversion coating with hierarchical structure has been fabricated on a Mg alloy substrate by in situ hydrothermal crystallization method. A MgO layer existing between the hydrotalcite/hydromagnesite film and the substrate was formed prior to the hydrotalcite/hydromagnesite film during the crystallization process. After surface treatment with silane coupling agent, the surface of conversion coating changes from hydrophilic to hydrophobic. Scanning electron microscopy (SEM) revealed that the silylated conversion coating with hierarchical structure maintains the original rough surface of which was composed of numerous micro-scale flakes and beautiful flower-like protrusions. Polarization measurements have shown that the hydrophobic conversion coating exhibited a low corrosion current density value of 0.432 μA/cm 2 , which means that the hydrophobic conversion coating can effectively protect Mg alloy from corrosion. Electrochemical impedance spectroscopy (EIS) showed that the impedance of the hydrophobic conversion coating was 9000 Ω. It means that the coating served as a passive layer with high charge transfer resistance.

Ionothermal synthesis and structural transformation targeted by ion exchange in metal-1,3,5-benzenetricarboxylate compounds

Energy Technology Data Exchange (ETDEWEB)

Xu, Qing-Qing [Key Laboratory of Macromolecular Science of Shaanxi Province, School of Chemistry & Chemical Engineering, Shaanxi Normal University, Xi’an 710062, Shaanxi (China); State Key Laboratory of Structural Chemistry, Fujian Institute of Research on the Structure of Matter, Chinese Academy of Sciences, Fuzhou, Fujian 350002 (China); Liu, Bing [College of Chemistry and Chemical Engineering, Shaanxi University of Sciences and Technology, Xi’an 710021, Shaanxi (China); Xu, Ling, E-mail: xuling@snnu.edu.cn [Key Laboratory of Macromolecular Science of Shaanxi Province, School of Chemistry & Chemical Engineering, Shaanxi Normal University, Xi’an 710062, Shaanxi (China); Jiao, Huan, E-mail: jiaohuan@snnu.edu.cn [Key Laboratory of Macromolecular Science of Shaanxi Province, School of Chemistry & Chemical Engineering, Shaanxi Normal University, Xi’an 710062, Shaanxi (China)

2017-03-15

Ionothermal reactions of 1,3,5-benzenetricarboxylate acid (H{sub 3}BTC) and Ni(NO{sub 3}){sub 2}, Co(NO{sub 3}){sub 2} and Cu(NO{sub 3}){sub 2} gave two discrete 32-membered ring-like allomers, [M{sub 2}(HBTC){sub 2}(NH{sub 2}CONH{sub 2}){sub 2}(H{sub 2}O){sub 4}]·3H{sub 2}O (M=Ni(1), Co(2)) and one layered [Cu{sub 2}(BTC)Cl(H{sub 2}O){sub 4}] (3). The weak interactions in 1 can be deconstructed to some degree in ion exchange by exploring the factors of divalent and trivalent metal species, metal concentration and soaking time, which are demonstrated by PXRD and N{sub 2} absorption. Cu{sup 2+} has the highest N{sub 2} adsorbance when soaking with 1, and 1 can keep structure stable when Cu{sup 2+} below 0.16 mol L{sup −1} and the soaking time within 24d. As Cu{sup 2+} beyond 0.16 mol L{sup −1} and the soaking time beyond 24d, the structure of compound 1 starts to transform with the crystal morphology from clear pale green to opaque blue. Ionothermal reactions of compound 1 with different Cu{sup 2+} amounts obtained Ni{sup 2+}-Cu{sup 2+} hetero complexes, whose PXRD patterns are similar to that of 3 and EDS indicates Cu{sup 2+}% increases with Cu{sup 2+} additions and close to 100% as Cu{sup 2+} being 1.6 mmol. It suggests that 3 is a controlled product and Cu{sup 2+} can transform discrete compound 1 into 2D compound 3. - Graphical abstract: Three compounds were synthesized through ionothermal reactions. The weak interactions in compound 1 can be deconstructed by ion exchange and discrete compound 1 can be transformed into layered compound 3. - Highlights: • Two discrete ring-like and one layered compounds were ionothermally synthesized. • Metal species, metal concentration and soaking time deconstruct the H-bondings in 1. • 1 can be transformed to 3 through ionothermal reaction, otherwise forbidden.

Synthesis of Some Novel Thiadiazole Derivative Compounds and Screening Their Antidepressant-Like Activities

Directory of Open Access Journals (Sweden)

Nafiz Öncü Can

2018-03-01

Full Text Available Novel thiadiazole derivatives were synthesized through the reaction of acetylated 2-aminothiadiazole and piperazine derivatives. The chemical structures of the compounds were clarified by Infrared Spectroscopy (IR, 1H Nuclear Magnetic Resonance Spectroscopy (1H-NMR, 13C Nuclear Magnetic Resonance Spectroscopy (13C-NMR and Electronspray Ionisation Mass Spectroscopy (ESI-MS spectroscopic methods. Antidepressant-like activities were evaluated by the tail-suspension (TST and modified forced swimming (MFST methods. Besides, possible influence of the test compounds on motor activities of the animals were examined by activity cage tests. In the TST, administration of the compounds 2c, 2d, 2e, 2f, 2g and 2h significantly decreased the immobility time of mice regarding the control values. Further, in the MFST, the same compounds reduced the total number of immobility behaviors while increasing swimming performance. However, no change was observed in the total number of climbing behaviors. These data suggested that compounds 2c, 2d, 2e, 2f, 2g and 2h possess notable antidepressant-like activities. Reference drug fluoxetine (10 mg/kg was also exhibited its antidepressant activity, as expected. No significant difference was seen between the locomotor activity values of the test groups signifying that observed antidepressant-like activities are specific. Theoretical calculation of absorption, distribution, metabolism, excretion (ADME properties for the obtained compounds were performed and obtained data supported the antidepressant-like potential of these novel thiadiazole derivatives.

Optimization of the {sup 99m} Tc generator with hydrotalcite as support of {sup 99} Mo; Optimizacion del generador de {sup 99m} Tc con hidrotalcita como soporte del {sup 99} Mo

Energy Technology Data Exchange (ETDEWEB)

Aranda O, N

2004-07-01

In the last years, in the laboratories of the National Institute of Nuclear Investigations (ININ) its have been investigating to the hydrotalcite like a material of support of the {sup 99} Mo with the purpose of developing a new technetium generator. During the development of the investigations it has been demonstrated that when putting in contact to the HTC with an aqueous solution that contains anions of any type, the HTC re hydrate and the structure is regenerated to laminate of the hydrotalcite. If the present anions in the solution are molybdate anions (MoO{sub 4}{sup 2-}), these anions passed to be part of the structure of the hydrotalcite (HT-MoO{sub 4}). These anions can contain, in turn, {sup 99} Mo in their composition ({sup 99}MoO{sub 4}{sup 2-}) and equally they can pass to be part of the structure of the hydrotalcite forming the HT-{sup 99}MoO{sub 4}. When the HT-{sup 99}MoO{sub 4} is packed in a column, the {sup 99m}Tc that it takes place when decaying the {sup 99}Mo radioactively can separate the column using aqueous solution of NaCl. This way, in previous studies (Serrano, 2000) it was found that the aqueous solution of NaCl to 0.5% it is the but appropriate for elutriate at the {sup 99m}Tc from the column the yield of the elution of the {sup 99m}Tc was since high (98%) in the first elution, and the radionuclide contamination caused by the presence of {sup 99}Mo in the eluate it was low (<0.01%). In this investigation it was also found that the HTC has a high capacity to retain molybdate ions (255.1 mg of ions MoO{sub 4}{sup 2-} for gram of HTC). These facts, standing out the high capacity of the HTC to retain molybdate ions, they drove from a direct way to investigate the optimization of the generator of {sup 99m}Tc, with hydrotalcite like support of the {sup 99}Mo, using {sup 99}Mo of low specific activity. This finishes radioactive material it can be obtained by the irradiation of the {sup 98}Mo (in the chemical form of MoO{sub 3} or (NH{sub 4

A new reversible Mg3Ag–H2 system for hydrogen storage

International Nuclear Information System (INIS)

Si, T.Z.; Zhang, J.B.; Liu, D.M.; Zhang, Q.A.

2013-01-01

Highlights: •Mg 3 Ag compound with high-purity was prepared by hydrogen metallurgy. •Mg 3 Ag is first employed for reversible hydrogen storage with altered thermodynamics. •The enhanced cyclic stability is due to the prevention of MgH 2 sintering by MgAg. -- Abstract: For the first time, the compound Mg 3 Ag was employed as a medium for hydrogen storage. It has been demonstrated that the hydriding/dehydriding process of Mg 3 Ag is reversible through the reaction Mg 3 Ag + 2H 2 ↔ 2MgH 2 + MgAg with obtaining altered thermodynamics. An enhanced cycling stability is also achieved by the capacity retention of 95% after 30 cycles, much higher than 70% for the pure Mg sample, which can be explained that the agglomeration and sintering of the resulting MgH 2 are efficiently prevented by the formation of hard and brittle MgAg phase upon multi-cycling

Ce - promoted catalyst from hydrotalcites for CO2 reforming of methane: calcination temperature effect

Directory of Open Access Journals (Sweden)

Carlos Enrique Daza

2012-01-01

Full Text Available Ce-promoted Ni-catalysts from hydrotalcites were obtained. The effect of calcination temperature on the chemical and physical properties of the catalysts was studied. Several techniques were used to determine the chemical and physical characteristics of oxides. The apparent activation energies of reduction were determined. Catalytic experiments at 48 L g-1h-1 without pre-reduction in CO2 reforming of methane were performed. The spinel-like phase in these oxides was only formed at 1000 ºC. The reduction of Ni2+ in the oxides was clearly affected by the calcination temperature which was correlated with catalytic performance. The catalyst calcined at 700 ºC showed the greatest activity.

Investigations on FCAM-III (Ca2.38Mg2.09Fe3+10.61Fe2+1.59Al9.33O36): A new homologue of the aenigmatite structure-type in the system CaO-MgO-Fe2O3-Al2O3

Science.gov (United States)

Zöll, Klaus; Kahlenberg, Volker; Krüger, Hannes; Tropper, Peter

2018-02-01

In the course of a systematic study of a part of the quaternary system Fe2O3-CaO-Al2O3-MgO (FCAM) the previously unknown compound Ca2.38Mg2.09Fe3+10.61Fe2+1.59Al9.33O36 (FCAM-III) has been synthesized. By analogy with the so-called SFCA series [1-5], our investigation in the system of FCAM shows the existence of a stoichiometric homologous series M14+6nO20+8n, where M = Fe, Ca, Al, Mg and n = 1 or 2. In air, we can prove the formation of coexisting FCAM-III and FCAM-I solid solutions at 1400 °C. By increasing the temperature up to 1425 °C FCAM-I disappears completely and FCAM-III co-exists with magnesiumferrite and a variety of calcium iron oxides. At 1450 °C FCAM-III breaks down to a mixture of FCAM-I again as well as magnesioferrite and melt. Small single-crystals of FCAM-III up to 35 μm in size could be retrieved from the 1425 °C experiment and were subsequently characterized using electron microprobe analysis and synchroton X-ray single-crystal diffraction. Finally the Fe2+/Fetot ratio was calculated from the total iron content based on the crystal-chemical formula obtained from EMPA measurements and charge balance considerations. FCAM-III or Ca2.38Mg2.09Fe3+10.61Fe2+1.59Al9.33O36 has a triclinic crystal structure (space group P 1 ̅). The basic crystallographic data are: a = 10.223(22) Å, b = 10.316(21) Å, c = 14.203(15) Å, α = 93.473(50)°, β = 107.418(67)°, γ = 109.646(60)°, V = 1323.85(2) ų, Z = 1. Using Schreinemaker's technique to analyze the phase relations in the system Fe2O3-CaO-Al2O3-MgO it was possible to obtain the semi-quantitative stability relations between the participating phases and construct a topologically correct phase sequence as a function of T and fO2. The analysis shows that Ca2Al0.5Fe1.5O5 (C2A0.25F0.75) and CaAl1.5Fe2.5O7 (CA0.75F1.25) with higher calculated Fe2+ contents are preferably formed at lower oxygen fugacity and react to CaAl0.5Fe1.5O4 (CA0.25F0.75) by increasing fO2. Spinel-type magnesium

The Microstructure and Tensile Properties of a Newly Developed Mg-Al/Mg3Sb2 In Situ Composite in As-Cast and Extruded Conditions

Science.gov (United States)

Montajabnia, A.; Pourbahari, B.; Emamy, M.

2018-04-01

The microstructures and tensile properties of Mg-x wt%Al-y wt%Sb alloys have been studied where x/y ratio was 1 and Sb(Al) contents were 5, 10, 15 and 20 wt%, respectively. The results indicated that by increasing Sb(Al) content, not only the crystals of primary Mg3Sb2 alter from small flake-like particles to polygonal or needle-like morphology, but also the eutectic structure changes from semi-continuous network in Mg-5Al-5Sb to continuous network in Mg-20Sb-20Al alloy. The results obtained from thermal analysis revealed different peaks related to the formation of Mg3Sb2 as primary phase and eutectic structure containing Mg17Al12 + Al3Mg2 intermetallic phases. Further results also revealed that Sb(Al) additions change the solidification performance of the material by depressing the Mg3Sb2 nucleation temperature, reducing solidification range and widening eutectic area. Tensile testing results showed that with the increase in Sb (Al) content, ultimate tensile strength (UTS) and elongation values of the alloys are decreased in as-cast condition. But, significant improvement in the UTS and elongation values of the extruded specimens was attributed to the severe fragmentation of intermetallic phases and well distributed fine particles in the matrix which provided proper obstacles for dislocation motion. It was interesting to note that the fracture behavior of intermetallic particles was found to be different, while Mg3Sb2 was ductile, intermetallic compounds in eutectic regions were brittle.

The relation of the broad band with the E2g phonon and superconductivity in the Mg(B1-xCx)2 compound

International Nuclear Information System (INIS)

Parisiades, P.; Lampakis, D.; Palles, D.; Liarokapis, E.; Karpinski, J.

2007-01-01

We have carried out an extensive micro-Raman study on Mg(B 1-x C x ) 2 single crystals, for carbon concentrations up to x=0.15. The E 2g symmetry broad band for pure MgB 2 at ∼600cm -1 disappears even for small doping levels (x=0.027) and two well-defined peaks in the high-energy side of this band play a major role in the Raman spectra of the substituted compounds. We propose that a two-mode behavior of the compound might be present, induced by the coupling of the observed phonons with the electronic bands

Characterization of hydrotalcite materials for CO2 selective membranes

Energy Technology Data Exchange (ETDEWEB)

Feuillade, V.C.; Haije, W.G. [ECN Hydrogen and Clean Fossil Fuels, Petten (Netherlands)

2006-07-15

The present concern about climate change has urged researchers and engineers all over the world to go and look for ways of reducing greenhouse gas emissions. Largescale CO2 emissions occur at power plants burning fossil fuels or e.g. the production of hydrogen from carbonaceous feed. In these cases pre- or post-combustion CO2 capture techniques followed by CO2 storage seems a promising route for reducing emissions. Prerequisite in these processes is the effective separation of CO2 from mixed gaseous process streams. The purpose of this work is to develop CO2 membranes to allow for the combination of natural gas reforming with separation of H2 and CO2 in separation enhanced reactors, i.e. membrane reactors, for carbon-free hydrogen production or electricity generation. This paper describes the materials' properties of hydrotalcites, a promising class of compounds for CO2 membranes. They have already proven their applicability as CO2 sorbent in sorption enhanced reaction processes. It is of fundamental importance to know the structural stability of this compound in the operational window of a chosen membrane reactor prior to any membrane fabrication. To this end, in-situ XRPD and DRIFTS as well as TGA-MS and SEM-EDX measurements have been performed on commercial (Pural) and hydrothermally synthesized homemade samples.

Metabolism of 1,2,3,4-, 1,2,3,5-, and 1,2,4,5-tetrachlorobenzene in the squirrel monkey

International Nuclear Information System (INIS)

Schwartz, H.; Chu, I.; Villeneuve, D.C.; Benoit, F.M.

1987-01-01

The metabolism of three tetrachlorobenzene isomers (TeCB) was investigated in the squirrel monkey. The animals were administered orally 6 single doses of 14 C-labeled 1,2,3,4-, 1,2,4,5-, or 1,2,3,5-tetrachlorobenzene over a 3-wk period at levels ranging from 50 to 100 mg/kg body weight (b.w) and kept in individual metabolism cages to collect urine and feces for radioassay. Approximately 38% (1,2,3,4-TeCB), 36% (1,2,3,5-TeCB), and 18% (1,2,4,5-TeCB) of the doses were excreted respectively in the feces 48 h post administration. In monkeys dosed with 1,2,3,4-TeCB, unchanged compound accounted for 50% of the fecal radioactivity. Unchanged compound accounted for more than 50% of the fecal radioactivity found in the monkeys dosed with 1,2,3,5-TeCB. The fecal metabolites were identified in both groups. No metabolites were detected in the feces of monkeys dosed with 1,2,4,5-TeCB. While the fecal route represented the major route of excretion for 1,2,3,4-TeCB, the other two isomers were eliminated exclusively in the feces. The above data in the squirrel monkey are different from those obtained with the rat and the rabbit, and demonstrate the different metabolic pathways for the isomers

Support and Size Effects of Activated Hydrotalcites for Precombustion CO2 Capture

NARCIS (Netherlands)

Meis, N.N.A.H.; Bitter, J.H.; de Jong, K.P.

2013-01-01

A series of Mg−Al hydrotalcites (HTs) with lateral platelet sizes ranging from 40 nm to 2 μm were prepared hydrothermally. Small HT platelets (20 nm) were obtained by deposition onto a carbon nanofiber (CNF) support. The CO2 sorption capacity at 523 K for the activated unsupported HT was low (0.1

Magnesium doped gallium phosphonates Ga{sub 1-x}Mg{sub x}[H{sub 3+x}(O{sub 3}PCH{sub 2}){sub 3}N] (x = 0, 0.20) and the influence on proton conductivity

Energy Technology Data Exchange (ETDEWEB)

Homburg, Thomas; Reinsch, Helge; Stock, Norbert [Institut fuer Anorganische Chemie, Christian-Albrechts-Universitaet, Kiel (Germany); Tschense, Carsten B.L.; Senker, Juergen [Dept. of Inorganic Chemistry III, University of Bayreuth (Germany); Wolkersdoerfer, Konrad; Wark, Michael [Institut fuer Chemie, Carl von Ossietzky Universitaet Oldenburg (Germany); Toebbens, Daniel; Zander, Stefan [Helmholtz-Zentrum Berlin fuer Materialien und Energie GmbH, Berlin (Germany)

2018-02-01

In our contribution to the development of new proton conductive coordination polymers (CPs) we focus on the impact of a partial replacement of Ga{sup 3+} by Mg{sup 2+}. This approach should come along with the introduction of additional protons due to charge balances. In a first step we have synthesized an isostructural compound to the literature known compound AlH{sub 3}P3N [H{sub 6}P3N = nitrilotris(methylene)triphosphonic acid], where Al{sup 3+} is replaced by Ga{sup 3+}, since all attempts to incorporate Mg{sup 2+} ions directly into AlH{sub 3}P3N were not successful. The relative amount of Mg{sup 2+} and Ga{sup 3+} was established by EDX analysis. Rietveld refinement of the synchrotron data located the Ga{sup 3+} and Mg{sup 2+} ions on a split position, proving the disordered incorporation of the Mg{sup 2+} ions. Solid-state NMR spectroscopy confirms a disordered protonation of the phosphonate groups as well and shows that all amine groups are protonated. In order to investigate the effect on the proton conductivity the compounds Ga[H{sub 3}(O{sub 3}PCH{sub 2}){sub 3}N], denoted GaH{sub 3}P3N as well as Ga{sub 0.80}Mg{sub 0.20}[H{sub 3.20}(O{sub 3}PCH{sub 2}){sub 3}N], denoted GaMgH{sub 3.20}P3N, were characterized by electrochemical impedance spectroscopy (EIS). Arrhenius behavior in the investigated temperature range (70-130 C) was found for both compounds (activation energies of E{sub a} = 0.15 eV for GaH{sub 3}P3N and 0.17 eV for GaMgH{sub 3.20}P3N). The GaMgH{sub 3.20}P3N sample shows a reduced proton mobility (σ = 1.2 x 10{sup -4} S.cm{sup -1}) of about one order of magnitude in comparison to GaH{sub 3}P3N (σ = 1.0 x 10{sup -3} S.cm{sup -1}). (copyright 2018 WILEY-VCH Verlag GmbH and Co. KGaA, Weinheim)

Evaluation of the structure and microstructure of NixMg1-xO oxides obtained by co-precipitation

International Nuclear Information System (INIS)

Martinez L, G.; Kryshtab, T.; Hesiquio G, M.; Kryvko, A.

2013-01-01

Ni x Mg 1-x O oxides were prepared by thermal treatment at temperatures of 400, 600 and 800 C from a hydrotalcite-like precursor obtained by co-precipitation at constant ph. The oxides obtained were characterized by X-ray diffraction methods. From the obtained results we concluded that the oxides calcined at temperatures of 400, and 600 C are unstable that means that there exists the effect of memory and with a time they return to the precursor. Presence of Ni in Mg oxide provides stability of the compounds thermally treated at 800 C. In order to analyze the structure and microstructure, the reflections 111, 200 and 220 were used. The positions of the maxima of the diffraction peaks are shifted with respect to the simulated ones for Mg O and Ni O. This result reveals that in solid solutions studied compressive strains or vacation are present. The parameters of the microstructure (coherent domain size and micro deformations) were evaluated. The coherent domain size was found to be in the range of 8 - 10 nm and the presence of residual strains of micro deformation can be associated with the existence of extended defects. (Author)

Synthesis and crystal structures of nitratocobaltates Na2[Co(NO3)4], K2[Co(NO3)4], and Ag[Co(NO3)3] and potassium nitratonickelate K2[Ni(NO3)4

International Nuclear Information System (INIS)

Morozov, I. V.; Fedorova, A. A.; Albov, D. V.; Kuznetsova, N. R.; Romanov, I. A.; Rybakov, V. B.; Troyanov, S. I.

2008-01-01

The cobalt(II) and nickel(II) nitrate complexes with an island structure (Na 2 [Co(NO 3 ) 4 ] (I) and K 2 [Co(NO 3 ) 4 ] (II)] and a chain structure [Ag[Co(NO 3 ) 3 ] (III) and K 2 [Ni(NO 3 ) 4 ] (IV)] are synthesized and investigated using X-ray diffraction. In the anionic complex [Co(NO 3 ) 4 ] 2− of the crystal structure of compound I, the Co coordination polyhedron is a twisted tetragonal prism formed by the O atoms of four asymmetric bidentate nitrate groups. In the anion [Co(NO 3 ) 4 ] 2− of the crystal structure of compound II, one of the four NO 3 groups is monodentate and the other NO 3 groups are bidentate (the coordination number of the cobalt atom is equal to seven, and the cobalt coordination polyhedron is a monocapped trigonal prism). The crystal structures of compounds III and IV contain infinite chains of the compositions [Co(NO 3 ) 2 (NO 3 ) 2/2 ] − and [Ni(NO 3 ) 3 (NO 3 ) 2/2 ] 2− , respectively. In the crystal structure of compound III, seven oxygen atoms of one monodentate and three bidentate nitrate groups form a dodecahedron with an unoccupied vertex of the A type around the Co atom. In the crystal structure of compound IV, the octahedral polyhedron of the Ni atom is formed by five nitrate groups, one of which is terminal bidentate. The data on the structure of Co(II) coordination polyhedra in the known nitratocobaltates are generalized.

Synthesis and crystal structures of nitratocobaltates Na2[Co(NO3)4], K2[Co(NO3)4], and Ag[Co(NO3)3] and potassium nitratonickelate K2[Ni(NO3)4

International Nuclear Information System (INIS)

Morozov, I. V.; Fedorova, A. A.; Albov, D. V.; Kuznetsova, N. R.; Romanov, I. A.; Rybakov, V. B.; Troyanov, S. I.

2008-01-01

The cobalt(II) and nickel(II) nitrate complexes with an island structure (Na 2 [Co(NO 3 ) 4 ] (I) and K 2 [Co(NO 3 ) 4 ] (II)] and a chain structure [Ag[Co(NO 3 ) 3 ] (III) and K 2 [Ni(NO 3 ) 4 ] (IV)] are synthesized and investigated using X-ray diffraction. In the anionic complex [Co(NO 3 ) 4 ] 2- of the crystal structure of compound I, the Co coordination polyhedron is a twisted tetragonal prism formed by the O atoms of four asymmetric bidentate nitrate groups. In the anion [Co(NO 3 ) 4 ] 2- of the crystal structure of compound II, one of the four NO 3 groups is monodentate and the other NO 3 groups are bidentate (the coordination number of the cobalt atom is equal to seven, and the cobalt coordination polyhedron is a monocapped trigonal prism). The crystal structures of compounds III and IV contain infinite chains of the compositions [Co(NO 3 ) 2 (NO 3 ) 2/2 ] - and [Ni(NO 3 ) 3 (NO 3 ) 2/2 ] 2- , respectively. In the crystal structure of compound III, seven oxygen atoms of one monodentate and three bidentate nitrate groups form a dodecahedron with an unoccupied vertex of the A type around the Co atom. In the crystal structure of compound IV, the octahedral polyhedron of the Ni atom is formed by five nitrate groups, one of which is terminal bidentate. The data on the structure of Co(II) coordination polyhedra in the known nitratocobaltates are generalized

Synthesis of glycerol carbonate by transesterification of glycerol with dimethyl carbonate over MgAl mixed oxide catalysts

NARCIS (Netherlands)

Liu, P.; Derchi, M.; Hensen, E.J.M.

2013-01-01

A series of hydrotalcite-like layered double hydroxides (LDHx) with different Mg/Al atomic ratios (x = 2–6) were prepared by using the co-precipitation method. Further calcination yields mixed oxides with tunable basicity. The basicity of the calcined LDHx (LDOx) strongly depends on the Mg/Al ratio

Co-Zn-Al based hydrotalcites as catalysts for Fischer-Tropsch process

Energy Technology Data Exchange (ETDEWEB)

Bianchi, C.L.; Pirola, C.; Boffito, D.C.; Di Fronzo, A. [Univ. degli Studi di Milano (Italy). Dipt. di Chimica Fisica ed Elettrochimica; Di Michele, A. [Univ. degli Studi di Perugia (Italy). Dipt. di Fisica; Vivani, R.; Nocchetti, M.; Bastianini, M.; Gatto, S. [Univ. degli Studi di Perugia (Italy). Dipt. di Chimica

2011-07-01

Co-Zn-Al based hydrotalcites have been investigated as catalysts for the well-known Fischer- Tropsch synthesis. A series of ternary hydrotalcites in nitrate form was prepared with the urea method in order to obtain active catalysts for the above mentioned process. The thermal activation at 350 C gives raise to finely dispersed metallic Co on the mixed oxides, so resulting in retaining the metal distribution of the parent compounds. An optimization study concerning the amount of cobalt of the prepared catalysts (range 15-70% mol, metal based) and the reaction temperature (220-260 C) is reported. All the samples have been fully characterized (BET, ICP-OES, XRPD, TG-DTA, FT-IR, SEM and TEM) and tested in a laboratory pilot plant. Tests to evaluate the stability of these materials were carried out in stressed conditions concerning both the activation and the operating temperatures and pressures (up to 350 C and 2.0 MPa). The obtained results suggest the possibility of using synthetic hydrotalcites as suitable Co-based catalysts for the Fischer-Tropsch synthesis. (orig.)

Toxicological evaluation of two novel bitter modifying flavour compounds: 3-(1-((3,5-dimethylisoxazol-4-ylmethyl-1H-pyrazol-4-yl-1-(3-hydroxybenzylimidazolidine-2,4-dione and 3-(1-((3,5-dimethylisoxazol-4-ylmethyl-1H-pyrazol-4-yl-1-(3-hydroxybenzyl-5,5-dimethylimidazolidine-2,4-dione

Directory of Open Access Journals (Sweden)

Donald S. Karanewsky

Full Text Available A toxicological evaluation of two novel bitter modifying flavour compounds, 3-(1-((3,5-dimethylisoxazol-4-ylmethyl-1H-pyrazol-4-yl-1-(3-hydroxybenzylimidazolidine-2,4-dione (S6821, CAS 1119831-25-2 and 3-(1-((3,5-dimethylisoxazol-4-ylmethyl-1H-pyrazol-4-yl-1-(3-hydroxybenzyl-5,5-dimethylimidazolidine-2,4-dione (S7958, CAS 1217341-48-4, were completed for the purpose of assessing their safety for use in food and beverage applications. S6821 undergoes oxidative metabolism in vitro, and in rat pharmacokinetic studies both S6821 and S7958 are rapidly converted to the corresponding O-sulfate and O-glucuronide conjugates. S6821 was not found to be mutagenic or clastogenic in vitro, and did not induce micronuclei in bone marrow polychromatic erythrocytes in vivo. S7958, a close structural analog of S6821, was also found to be non-mutagenic in vitro. In short term and subchronic oral toxicity studies in rats, the no-observed-adverse-effect-level (NOAEL for both S7958 and S6821 was 100 mg/kg bw/day (highest dose tested when administered as a food ad-mix for either 28 or 90 consecutive days, respectively. Furthermore, S6821 demonstrated a lack of maternal toxicity, as well as adverse effects on fetal morphology at the highest dose tested, providing a NOAEL of 1000 mg/kg bw/day for both maternal toxicity and embryo/fetal development when administered orally during gestation to pregnant rats. Keywords: S6821, S7958, FEMA GRAS, Subchronic toxicological evaluation, Genetic toxicological evaluation

Evaluation of the structure and microstructure of Ni{sub x}Mg{sub 1-x}O oxides obtained by co-precipitation; Evaluacion de la estructura y microestructura de oxidos de Ni{sub x}Mg{sub 1-x}O obtenidos por co-precipitacion

Energy Technology Data Exchange (ETDEWEB)

Martinez L, G.; Kryshtab, T. [IPN, Escuela Superior de Fisica y Matematicas, Departamento de Fisica, Av. Instituto Politecnico Nacional s/n, Edif. 9, 07738 Mexico D. F. (Mexico); Hesiquio G, M. [IPN, Escuela Superior de Ingenieria Quimica e Industrias Extractivas, Av. Instituto Politecnico Nacional s/n, Edif. 6, 07738 Mexico D. F. (Mexico); Kryvko, A., E-mail: marloz7@yahoo.com.mx [IPN, Escuela Superior de Ingenieria Mecanica y Electrica, Departamento de Sistemas, Av. Instituto Politecnico Nacional s/n, Edif. Z-4, 07738 Mexico D. F. (Mexico)

2013-06-01

Ni{sub x}Mg{sub 1-x}O oxides were prepared by thermal treatment at temperatures of 400, 600 and 800 C from a hydrotalcite-like precursor obtained by co-precipitation at constant ph. The oxides obtained were characterized by X-ray diffraction methods. From the obtained results we concluded that the oxides calcined at temperatures of 400, and 600 C are unstable that means that there exists the effect of memory and with a time they return to the precursor. Presence of Ni in Mg oxide provides stability of the compounds thermally treated at 800 C. In order to analyze the structure and microstructure, the reflections 111, 200 and 220 were used. The positions of the maxima of the diffraction peaks are shifted with respect to the simulated ones for Mg O and Ni O. This result reveals that in solid solutions studied compressive strains or vacation are present. The parameters of the microstructure (coherent domain size and micro deformations) were evaluated. The coherent domain size was found to be in the range of 8 - 10 nm and the presence of residual strains of micro deformation can be associated with the existence of extended defects. (Author)

Hydrolysis of Mg(BH4)2 and its coordination compounds as a way to obtain hydrogen

Science.gov (United States)

Solovev, Mikhail V.; Chashchikhin, Oleg V.; Dorovatovskii, Pavel V.; Khrustalev, Victor N.; Zyubin, A. S.; Zyubina, T. S.; Kravchenko, O. V.; Zaytsev, Alexey A.; Dobrovolsky, Yu. A.

2018-02-01

Three ligand-stabilized Mg(BH4)2-based complexes have been synthesized and evaluated as potential hydrogen storage media for portable fuel cell applications. The new borohydrides: Mg(BH4)2 × 0.5Et2O and Mg(BH4)2 × diglyme (diglyme - CH3O(CH2)2O(CH2)2OCH3) have been synthesized and examined by X-ray single crystal diffraction method. Hydrolysis reactions of the compounds liberate hydrogen in quantities ranging from 46 to 96% of the theoretical yield. The hydrolysis of Mg(BH4)2 and other borohydrides is also accompanied by the diborane formation. The amount of liberated diborane depends on the Mg-coordination environment. To explain this fact quantum-chemical calculations have been performed. It is shown that formation of Mg-O-Mg-bridges enables the side process of diborane generation. It means that the size and denticity of the ligand directly affects the amount of released diborane. In general, the larger the ligand and the higher its denticity, the smaller is amount of diborane produced. The new compound Mg(BH4)2 × diglyme decomposes without diborane formation that allows one to be considered as a new promising chemical hydrogen storage compound for the practical usage.

A solid solution series of atacamite type Ni{sub 2x}Mg{sub 2−2x}Cl(OH){sub 3}

Energy Technology Data Exchange (ETDEWEB)

Bette, Sebastian [TU Bergakademie Freiberg, Institute of Inorganic Chemistry, Leipziger Strasse 29, Freiberg 09596 (Germany); Dinnebier, Robert E. [Max Planck Institute for Solid State Research, Heisenbergstrasse 1, Stuttgart 70569 (Germany); Röder, Christian [TU Bergakademie Freiberg, Institute of Theoretical Physics, Leipziger Strasse 23, Freiberg 09596 (Germany); Freyer, Daniela, E-mail: daniela.freyer@chemie.tu-freiberg.de [TU Bergakademie Freiberg, Institute of Inorganic Chemistry, Leipziger Strasse 29, Freiberg 09596 (Germany)

2015-08-15

For the first time a complete solid solution series Ni{sub 2x}Mg{sub 2−2x}Cl(OH){sub 3} of an atacamite type alkaline main group metal chloride, Mg{sub 2}Cl(OH){sub 3}, and a transition group metal chloride, Ni{sub 2}Cl(OH){sub 3}, was prepared and characterized by chemical and thermal analysis as well as by Raman and IR spectroscopy, and high resolution laboratory X-ray powder diffraction. All members of the solid solution series crystallize in space group Pnam (62). The main building units of these crystal structures are distorted, edge-linked Ni/MgO{sub 4}Cl{sub 2} and Ni/MgO{sub 5}Cl octahedra. The distribution of Ni{sup 2+}- and Mg{sup 2+}-ions among these two metal-sites within the solid solution series is discussed in detail. The crystallization of the solid solution phases occurs via an intermediate solid solution series, (Ni/Mg)Cl{sub 2x}(OH){sub 2−2x}, with variable Cl: OH ratio up to the 1:3 ratio according to the formula Ni{sub 2x}Mg{sub 2−2x} Cl(OH){sub 3}. For one isolated intermediate solid solution member, Ni{sub 0.70}Mg{sub 0.30}Cl{sub 0.58}(OH){sub 1.42}, the formation and crystal structure is presented as well. - Graphical abstract: For the first time a complete solid solution series, Ni{sub 2x}Mg{sub 2−2x} Cl(OH){sub 3}, was synthesized and characterized. Structure solution by revealed that Ni{sup 2+} prefers to occupy the Jahn–Teller-like distorted hole, out of two available cation sites. Substitution of Ni{sup 2+} by Mg{sup 2+} in atacamite type Ni{sub 2}Cl(OH){sub 3} results in systematic band shifts in Raman and IR spectra as well as in systematic changes in thermal properties. The α-polymorphs M{sub 2}Cl(OH){sub 3} with M=Mg{sup 2+}, Ni{sup 2+} and other divalent transition metal ions, as described in literature, were identified as separate compounds. - Highlights: • First synthesis of solid solution series between main and transition metal chloride. • Ni{sup 2+} prefers to occupy Jahn–Teller-like distorted octahedral holes

Convergent Synthesis of the Potent P2Y Receptor Antagonist MG 50-3-1 Based on a Regioselective Ullmann Coupling Reaction

Directory of Open Access Journals (Sweden)

Christa E. Müller

2012-03-01

Full Text Available MG 50-3-1 (3, trisodium 1-amino-4-{4-[4-chloro-6-(2-sulfophenylamino-1,3,5-triazin-2-ylamino]-2-sulfophenylamino}-9,10-dioxo-9,10-dihydroanthracene 2-sulfonate is the most potent and selective antagonist (IC50 4.6 nM for “P2Y1-like” nucleotide-activated membrane receptors in guinea-pig taenia coli responsible for smooth muscle relaxation. Full characterization of the compound, however, e.g., at the human P2Y1 receptor, which is a novel potential target for antithrombotic drugs, as well as other P2 receptor subtypes, has been hampered due to difficulties in synthesizing the compound in sufficient quantity. MG 50-3-1 would be highly useful as a biological tool for detailed investigation of signal transduction in the gut. We have now developed a convenient, fast, mild, and efficient convergent synthesis of 3 based on retrosynthetic analysis. A new, regioselective Ullmann coupling reaction under microwave irradiation was successfully developed to obtain 1-amino-4-(4-amino-2-sulfophenylamino-9,10-dioxo-9,10-dihydro­anthracene 2-sulfonate (8. Four different copper catalysts (Cu, CuCl, CuCl2, and CuSO4 were investigated at different pH values of sodium phosphate buffer, and in water in the absence or presence of base. Results showed that CuSO4 in water in the presence of triethylamine provided the best conditions for the regioselective Ullmann coupling reaction yielding the key intermediate compound 8. A new synthon (sodium 2-(4,6-dichloro-1,3,5-triazin-2-ylaminobenzenesulfonate, 13 which can easily be obtained on a gram scale was prepared, and 13 was successfully coupled with 8 yielding the target compound 3.

Tunable catalytic properties of bi-functional mixed oxides in ethanol conversion to high value compounds

Energy Technology Data Exchange (ETDEWEB)

Ramasamy, Karthikeyan K.; Gray, Michel J.; Job, Heather M.; Smith, Colin D.; Wang, Yong

2016-04-10

tA highly versatile ethanol conversion process to selectively generate high value compounds is pre-sented here. By changing the reaction temperature, ethanol can be selectively converted to >C2alcohols/oxygenates or phenolic compounds over hydrotalcite derived bi-functional MgO–Al2O3cata-lyst via complex cascade mechanism. Reaction temperature plays a role in whether aldol condensationor the acetone formation is the path taken in changing the product composition. This article containsthe catalytic activity comparison between the mono-functional and physical mixture counterpart to thehydrotalcite derived mixed oxides and the detailed discussion on the reaction mechanisms.

Synthesis, structure and photocatalytic activity of calcined Mg-Al-Ti-layered double hydroxides

Energy Technology Data Exchange (ETDEWEB)

Hosni, Khaled; Abdelkarim, Omar; Srasra, Ezzeddine [Centre National des Recherches en Sciences des Matériaux (CNRSM), Soliman (Turkey); Frini-Srasra, Najoua [Faculté des Sciences de Tunis (FST), Tunis (Turkey)

2015-01-15

Mg-Al-Ti layered double hydroxides (LDH), consisting of di-, tri- and tetra-valent cations with different Al{sup 3+}/Ti{sup 4+} ratio, have been synthesized by co-precipitation which was demonstrated as efficient visible-light photocatalysts. The structure and chemical composition of the compound were characterized by PXRD, FT-IR, SAA, N{sub 2} adsorption-desorption isotherms, and DSC techniques. It is found that no hydrotalcites structure were formed for Ti{sup 4+}/(Ti{sup 4+}+ Al{sup 3+})>0.5 and the substitution of Ti(IV) for Al(III) in the layer increases the thermal stability of the resulting LDH materials. The calcined sample containing titanium showed relatively high adsorption capacity for MB as compared to that without titanium. Results show that the pseudo-second-order kinetic model and the Langmuir were found to correlate the experimental data well. The photocatalytic activity was evaluated for the degradation of the methylene blue. The photocatalytic activity increased with the increase of the Al/Ti cationic ratio. 71% of the dye could be removed by the Mg/Al/Ti-LDH with the cationic ratio Al/Ti=0 : 1 and calcined at 500 .deg. C.

The application of modified hydrotalcites as chloride scavengers and inhibitor release agents in cement mortars

NARCIS (Netherlands)

Yang, Z.; Fischer, H.; Polder, R.B.

2014-01-01

Owing to the unique molecular structure and high ion exchange capacity, hydrotalcites are believed to have a potential to be modified and tailor-made as an active component of concrete. In this paper, two types of modified hydrotalcites (MHT-pAB and MHT-NO2) were incorporated into cement mortars

Catalytic mechanism of the dehydrogenation of ethylbenzene over Fe–Co/Mg(Al)O derived from hydrotalcites

KAUST Repository

Tope, Balkrishna B.; Balasamy, Rabindran J.; Khurshid, Alam; Atanda, Luqman A.; Yahiro, Hidenori; Shishido, Tetsuya; Takehira, Katsuomi; Al-Khattaf, Sulaiman S.

2011-01-01

-H+ abstraction from ethyl group on Mg2+-O2- basic sites, followed by C-O-Mg bond formation. The α-H+ abstraction by O2-(-Mg 2+) was likely followed by β-H abstraction, leading to the formations of styrene and H2. Such catalytic mechanism by the Fe 3+ acid-O2-(-Mg

A new smart additive of reinforced concrete based on modified hydrotalcites: Preparation, characterization and anticorrosion applications

NARCIS (Netherlands)

Yang, Z.; Fischer, H.; Polder, R.

2012-01-01

A carbonate form of Mg-Al-hydrotalcite and its p-aminobenzoate (pAB) modified derivative (i.e.,Mg(2)Al-pAB) were synthesized and characterized by means of XRD and FT-IR. The anticorrosion behavior was evaluated based on open circuit potential (OCP) of carbon steel in simulated concrete pore solution

Absorption of atmospheric NO2 by plants and soils, (1)

International Nuclear Information System (INIS)

Matsumaru, Tsuneo; Shiratori, Koji; Yoneyama, Tadakatsu; Totsuka, Tsumugu.

1979-01-01

Tomato, sunflower and corn plants were grown in culture solution containing three different concentrations of 15 N-labelled KNO 3 (260 ppm N, 105 ppm N, and 26 ppm N) as a nitrogen nutrient, and fumigated with 0.3 ppm NO 2 for 2 weeks during their vegetative stages. The amount of NO 2 nitrogen absorbed into the plants was estimated by ''difference method'' and '' 15 N method.'' '' 15 N method'' was found to give more probable values than ''difference method.'' According to '' 15 N method,'' the nitrogen derived from NO 2 was about 16% (tomato), 22% (sunflower), and 14% (corn) of the increased amount of total nitrogen in the whole plants in the 105 ppm N plot, and these percentages increased in the 26 ppm N plot. Difference in nitrogen concentration of the culture solution resulted in big change in the dry-weight increase of the tomato and sunflower plants, but the absorption rate of NO 2 nitrogen based on the dry weight changed slightly. The absorption rate of NO 2 nitrogen was around 0.8 mg (gDW) -1 day -1 in tomato and sunflower plants, and 0.3 mg (gDW) -1 day -1 in corn plant. Leaves were found to be an active sink of NO 2 and the nitrogen of NO 2 seemed to be rapidly transformed into compounds of high molecules in the leaf cells. (author)

Synthesis and superstructure of La sub(2/3) (Mg sub(1/2)W sub(1/2))O/sub 3/

Energy Technology Data Exchange (ETDEWEB)

Torii, Y [Government Industrial Research Inst., Nagoya (Japan)

1979-10-01

A new perovskite La sub(2/3)(Mg sub(1/2)W sub(1/2))O/sub 3/ having an orthorhombic multiple-cell was synthesized. The lattice constants were a = 7.8157(5) A, b = 7.8344(6) A and c = 2 x 7.9067(6) A. The superstructure was found to be due to a NaCl-type ordering of B ions as well as an ordering of A-site vacancies.

A study on preparation and hydriding of β-Mg2Al3 and γ-Mg17Al12

International Nuclear Information System (INIS)

Hadi Suwarno

2009-01-01

The mechanism of the synthetic formation of β-Mg 2 Al 3 and γ-Mg 17 Al 12 has been studied. Mechanical alloying of Mg and Al powders with the atomic ratio of Mg:Al = 2:3 in toluene solution yields β-Mg 2 Al 3 compound after milling for 30 h. The γ-Mg 17 Al 12 can be formed by heating the β-Mg 2 Al 3 at 430°C under high vacuum. The measured hydrogen capacities of β-Mg 2 Al 3 and γ-Mg 17 Al 12 as hydride at 300°C are 3.2 and 4.9 wt%, respectively. Microstructure of the Mg-Al specimen shows that on hydriding at 300°C the polygonal shape of the γ-Mg 17 Al 12 changes into irregular shapes which are composed of γ-MgH 2 and Al. (author)

A lifetime measurement of the 1s2p 3P1 level in helium-like Mg and Al

International Nuclear Information System (INIS)

Armour, I.A.; Silver, J.D.; Traebert, E.; Oxford Univ.

1981-01-01

The lifetimes of the 1s2p 3 P 1 levels of helium-like magnesium and aluminium have been measured by the beam-foil decay curve technique. The 1s 2 -1s2p transitions were observed with a curved-crystal x-ray spectrometer. Decay curves taken under systematically varied conditions have been evaluated using several techniques including a cascade model. The results are in agreement with most of the theoretical predictions. (author)

Thermal behaviour of Cu-Mg-Mn and Ni-Mg-Mn layered double hydroxides and characterization of formed oxides

Czech Academy of Sciences Publication Activity Database

Kovanda, F.; Grygar, Tomáš; Dorničák, V.; Rojka, T.; Bezdička, Petr; Jirátová, Květa

2005-01-01

Roč. 28, 1-4 (2005), s. 121-136 ISSN 0169-1317 Institutional research plan: CEZ:AV0Z40320502 Keywords : Cu-Mg-Mn basic carbonates * Ni-Mg-Mn hydrotalcite Subject RIV: CA - Inorganic Chemistry Impact factor: 1.324, year: 2005

Synthesis and characterization of a novel Mg–Al hydrotalcite-loaded kaolin clay and its adsorption properties for phosphate in aqueous solution

Energy Technology Data Exchange (ETDEWEB)

Deng, Lin, E-mail: denglinlyn@126.com; Shi, Zhou, E-mail: 369329062@qq.com

2015-07-15

Highlights: • Kaolin clay was coalesced with Mg–Al hydrotalcite to form composite adsorbent (MKC). • MKC was synthesized through modified co-precipitation method. • MKC gave high adsorption of phosphate over a wide pH range of 2.5–9.5. • MKC is an economical and environmentally friendly adsorbent for phosphate removal and recycling. - Abstract: The mesoporous modified kaolin clay (MKC) was synthesized by loading Mg–Al hydrotalcite onto kaolin clay through coprecipitation method and applied for adsorption of phosphate from aqueous solution. Several techniques, including Brunauer–Emmett–Teller (BET), thermal analysis (TG–DTA), and Fourier transform infrared spectroscopy (FTIR) were employed to characterize the adsorbents. The effects of adsorbent dosage, solution pH, initial phosphate concentration, contact time, temperature, and coexistent anions on phosphate adsorption have been investigated. MKC exhibited a strong uptake affinity to phosphate in a wide pH range of 2.5–9.5, with the maximum adsorptive removal of 98.03%, at adsorbent dosage of 0.2 g/50 mL, pH 7.5, and initial phosphate concentration 25 mg L{sup −1}. The adsorption kinetics followed the pseudo-second-order kinetic model. The Langmuir isothermal model well described the adsorption isotherm data, showing a maximum adsorption capacity for phosphate up to 11.92 mg g{sup −1} at 298 K. The obtained thermodynamic parameters revealed that the adsorption of phosphate onto MKC was an exothermic and spontaneous process. Coexistent chloride, nitrate, and sulfate ions displayed an adverse effect on phosphate adsorption following the order of SO{sub 4}{sup 2−} > NO{sub 3}{sup −} > Cl{sup −}. A mechanism of adsorption that involved (i) electrostatic attraction of hydroxyl groups of the adsorbent with negatively charged phosphate ions, and (ii) anion exchange of NO{sub 3}{sup −} ions that were associated with the surface or interlayer of the adsorbent with anionic phosphate ions in

Synthesis and characterization of a novel Mg–Al hydrotalcite-loaded kaolin clay and its adsorption properties for phosphate in aqueous solution

International Nuclear Information System (INIS)

Deng, Lin; Shi, Zhou

2015-01-01

Highlights: • Kaolin clay was coalesced with Mg–Al hydrotalcite to form composite adsorbent (MKC). • MKC was synthesized through modified co-precipitation method. • MKC gave high adsorption of phosphate over a wide pH range of 2.5–9.5. • MKC is an economical and environmentally friendly adsorbent for phosphate removal and recycling. - Abstract: The mesoporous modified kaolin clay (MKC) was synthesized by loading Mg–Al hydrotalcite onto kaolin clay through coprecipitation method and applied for adsorption of phosphate from aqueous solution. Several techniques, including Brunauer–Emmett–Teller (BET), thermal analysis (TG–DTA), and Fourier transform infrared spectroscopy (FTIR) were employed to characterize the adsorbents. The effects of adsorbent dosage, solution pH, initial phosphate concentration, contact time, temperature, and coexistent anions on phosphate adsorption have been investigated. MKC exhibited a strong uptake affinity to phosphate in a wide pH range of 2.5–9.5, with the maximum adsorptive removal of 98.03%, at adsorbent dosage of 0.2 g/50 mL, pH 7.5, and initial phosphate concentration 25 mg L −1 . The adsorption kinetics followed the pseudo-second-order kinetic model. The Langmuir isothermal model well described the adsorption isotherm data, showing a maximum adsorption capacity for phosphate up to 11.92 mg g −1 at 298 K. The obtained thermodynamic parameters revealed that the adsorption of phosphate onto MKC was an exothermic and spontaneous process. Coexistent chloride, nitrate, and sulfate ions displayed an adverse effect on phosphate adsorption following the order of SO 4 2− > NO 3 − > Cl − . A mechanism of adsorption that involved (i) electrostatic attraction of hydroxyl groups of the adsorbent with negatively charged phosphate ions, and (ii) anion exchange of NO 3 − ions that were associated with the surface or interlayer of the adsorbent with anionic phosphate ions in solution, was proposed

In-situ observation of domain wall motion in Pb(In{sub 1/2}Nb{sub 1/2})O{sub 3}-Pb(Mg{sub 1/3}Nb{sub 2/3})O{sub 3}-PbTiO{sub 3} crystals

Energy Technology Data Exchange (ETDEWEB)

Lin, Dabin; Cai, Changlong [Laboratory of Thin Film Techniques and Optical Test, Xi' an Technological University, Xi' an 710032 (China); Li, Zhenrong, E-mail: zhrli@mail.xjtu.edu.cn; Li, Fei; Xu, Zhuo [Electronic Materials Research Laboratory, Key Laboratory of Education Ministry and International Center for Dielectric Research, Xi' an Jiaotong University, Xi' an 710049 (China); Zhang, Shujun, E-mail: soz1@psu.edu [Materials Research Institute, Pennsylvania State University, University Park, Pennsylvania 16802 (United States); Cheng, Yaojin [Science and Technology on Low-Light-Level Night Vision Laboratory, Xi' an 710065 (China)

2014-07-21

Various domain structures, including wave-like domains, mixed needle-like and laminar domains, typical embedded 90° and 180° domains, have been observed in unpoled rhombohedral, monoclinic, and tetragonal Pb(In{sub 1/2}Nb{sub 1/2})O{sub 3}-Pb(Mg{sub 1/3}Nb{sub 2/3})O{sub 3}-PbTiO{sub 3} (PIN-PMN-PT) crystals by polarizing light microscope; while in poled tetragonal crystals, the parallel 180° domains were reversed and only vertical 90° domain walls were observed. For 0.24PIN-0.42PMN-0.34PT crystals with morphotropic phase boundary composition, the domain wall motion was in-situ observed as a function of applied electric field along crystallographic [100] direction. With increasing the electric field from 0 to 12 kV/cm, the rhombohedral (R) domains were found to change to monoclinic (M) domains and then to tetragonal (T) domains. The electric field-induced phase transition was also confirmed by X-ray diffraction and the temperature-dependent dielectric behavior.

Influence of slag chemistry on the hydration of alkali-activated blast-furnace slag - Part I: Effect of MgO

International Nuclear Information System (INIS)

Ben Haha, M.; Lothenbach, B.; Le Saout, G.; Winnefeld, F.

2011-01-01

The hydration and the microstructure of three alkali activated slags (AAS) with MgO contents between 8 and 13 wt.% are investigated. The slags were hydrated in the presence of two different alkaline activators, NaOH and Na 2 SiO 3 .5H 2 O (WG). Higher MgO content of the slag resulted in a faster reaction and higher compressive strengths during the first days. The formation of C(- A)-S-H and of a hydrotalcite-like phase was observed in all samples by X-ray diffraction (XRD), thermal analysis (TGA) and scanning electron microscopy (SEM) techniques. Increasing the MgO content of the slag from 8 to 13% increased the amount of hydrotalcite and lowered the Al uptake by C-S-H resulting in 9% higher volume of the hydrates and a 50 to 80% increase of the compressive strength after 28 days and longer for WG activated slag pastes. For NaOH activated slags only a slight increase of the compressive strength was measured.

Physico-Chemical Properties of MgGa Mixed Oxides and Reconstructed Layered Double Hydroxides and Their Performance in Aldol Condensation of Furfural and Acetone

Directory of Open Access Journals (Sweden)

Oleg Kikhtyanin

2018-05-01

Full Text Available MgGa layered double hydroxides (Mg/Ga = 2–4 were synthesized and used for the preparation of MgGa mixed oxides and reconstructed hydrotalcites. The properties of the prepared materials were examined by physico-chemical methods (XRD, TGA, NH3-TPD, CO2-TPD, SEM, and DRIFT and tested in aldol condensation of furfural and acetone. The as-prepared phase-pure MgGa samples possessed hydrotalcite structure, and their calcination resulted in mixed oxides with MgO structure with a small admixture phase characterized by a reflection at 2θ ≈ 36.0°. The interaction of MgGa mixed oxides with pure water resulted in reconstruction of the HTC structure already after 15 s of the rehydration with maximum crystallinity achieved after 60 s. TGA-MS experiments proved a substantial decrease in carbonates in all rehydrated samples compared with their as-prepared counterparts. This allowed suggesting presence of interlayer hydroxyls in the samples. Acido-basic properties of MgGa mixed oxides determined by TPD technique did not correlate with Mg/Ga ratio which was explained by the specific distribution of Ga atoms on the external surface of the samples. CO2-TPD method was also used to evaluate the basic properties of the reconstructed MgGa samples. In these experiments, an intensive peak at T = 450°C on CO2-TPD curve was attributed to the decomposition of carbonates newly formed by CO2 interaction with interlayer carbonates rather than to CO2 desorption from basic sites. Accordingly, CO2-TPD method quantitatively characterized the interlayer hydroxyls only indirectly. Furfural conversion on reconstructed MgGa materials was much larger compared with MgGa mixed oxides confirming that Brønsted basic sites in MgGa catalysts, like MgAl catalysts, were active in the reaction. Mg/Ga ratio in mixed oxides influenced product selectivity which was explained by the difference in textural properties of the samples. In contrast, Mg/Ga ratio in reconstructed catalysts had

Physico-Chemical Properties of MgGa Mixed Oxides and Reconstructed Layered Double Hydroxides and Their Performance in Aldol Condensation of Furfural and Acetone.

Science.gov (United States)

Kikhtyanin, Oleg; Čapek, Libor; Tišler, Zdeněk; Velvarská, Romana; Panasewicz, Adriana; Diblíková, Petra; Kubička, David

2018-01-01

MgGa layered double hydroxides (Mg/Ga = 2-4) were synthesized and used for the preparation of MgGa mixed oxides and reconstructed hydrotalcites. The properties of the prepared materials were examined by physico-chemical methods (XRD, TGA, NH 3 -TPD, CO 2 -TPD, SEM, and DRIFT) and tested in aldol condensation of furfural and acetone. The as-prepared phase-pure MgGa samples possessed hydrotalcite structure, and their calcination resulted in mixed oxides with MgO structure with a small admixture phase characterized by a reflection at 2θ ≈ 36.0°. The interaction of MgGa mixed oxides with pure water resulted in reconstruction of the HTC structure already after 15 s of the rehydration with maximum crystallinity achieved after 60 s. TGA-MS experiments proved a substantial decrease in carbonates in all rehydrated samples compared with their as-prepared counterparts. This allowed suggesting presence of interlayer hydroxyls in the samples. Acido-basic properties of MgGa mixed oxides determined by TPD technique did not correlate with Mg/Ga ratio which was explained by the specific distribution of Ga atoms on the external surface of the samples. CO 2 -TPD method was also used to evaluate the basic properties of the reconstructed MgGa samples. In these experiments, an intensive peak at T = 450°C on CO 2 -TPD curve was attributed to the decomposition of carbonates newly formed by CO 2 interaction with interlayer carbonates rather than to CO 2 desorption from basic sites. Accordingly, CO 2 -TPD method quantitatively characterized the interlayer hydroxyls only indirectly. Furfural conversion on reconstructed MgGa materials was much larger compared with MgGa mixed oxides confirming that Brønsted basic sites in MgGa catalysts, like MgAl catalysts, were active in the reaction. Mg/Ga ratio in mixed oxides influenced product selectivity which was explained by the difference in textural properties of the samples. In contrast, Mg/Ga ratio in reconstructed catalysts had practically

Effect of monobutylether ethylene glycol on Mg/Al layered double hydroxide: a physicochemical and conductivity study

International Nuclear Information System (INIS)

Paulo, Maria Joao; Matos, Bruno Ribeiro de; Ntais, Spyridon; Coral Fonseca, Fabio; Tavares, Ana C.

2013-01-01

Mg–Al hydrotalcite-like compounds with OH − ions intercalated in the gallery and modified with monobutylether ethylene glycol (mbeeg) were prepared from Mg 6 Al 2 (CO 3 )(OH) 16 ·4H 2 O by the reconstruction method. The effect of the ethylene glycol, a moderate surfactant, on the textural properties and on the vapor water sorption of the layered double hydroxides was investigated by transmission electron microscopy and nitrogen and water sorption techniques. The ion conductivity of the samples was measured at 98 % RH up to 180 °C. The compounds are formed by nanoplatelets with a lateral size inferior to 20 nm. The addition of the ethylene glycol was found to increase the specific surface area, total pore volume, and water sorption capacity of the Mg–Al layered double hydroxide. However, it also decreased the average pore diameter, and the ion conductivity of the ethylene glycol modified layered double hydroxide was lower than expected based on the samples’ specific surface area and water content.

Synthesis, potential anticonvulsant and antidepressant effects of 2-(5-methyl-2,3-dioxoindolin-1-ylacetamide derivatives

Directory of Open Access Journals (Sweden)

Xinghua Zhen

2015-07-01

Full Text Available A new series of 2-(5-methyl-2,3-dioxoindolin-1-ylacetamide derivatives were synthesized and evaluated for their anticonvulsive activity in a pentylenetetrazole (PTZ-evoked convulsion model and antidepressant activity in the forced swimming test (FST model. Eleven synthesized compounds were found to be protective against PTZ-induced seizure and showed the anticonvulsant activity. In addition, four of the synthesized compounds (4l, 4m, 4p and 4q showed potent antidepressant-like activity. Among these compounds, compound 4l was found to have the most potent antidepressant-like activity, and significantly reduced the duration of immobility time at 100 mg/kg dose level when compared to the vehicle control, which is similar to the reference drug fluoxetine.

Laboratory investigation of the influence of two types of modified hydrotalcites on chloride ingress into cement mortar

NARCIS (Netherlands)

Yang, Z.; Fischer, H.; Polder, R.

2015-01-01

Owing to the unique molecular structure and high ion exchange capacity, hydrotalcites are believed to have a potential to be modified and tailor-made as an active component of mortar and/or concrete. In this paper, two types of modified hydrotalcites (MHT-pAB and MHT-NO2) were incorporated into

Study on anisotropy of n-type Mg3Sb2-based thermoelectric materials

Science.gov (United States)

Song, Shaowei; Mao, Jun; Shuai, Jing; Zhu, Hangtian; Ren, Zhensong; Saparamadu, Udara; Tang, Zhongjia; Wang, Bo; Ren, Zhifeng

2018-02-01

The recent discovery of a high thermoelectric figure of merit (ZT) in an n-type Mg3Sb2-based Zintl phase triggered an intense research effort to pursue even higher ZT. Based on our previous report on Mg3.1Nb0.1Sb1.5Bi0.49Te0.01, we report here that partial texturing in the (001) plane is achieved by double hot pressing, which is further confirmed by the rocking curves of the (002) plane. The textured samples of Mg3.1Nb0.1Sb1.5Bi0.49Te0.01 show a much better average performance in the (00l) plane. Hall mobility is significantly improved to ˜105 cm2 V-1 s-1 at room temperature in the (00l) plane due to texturing, resulting in higher electrical conductivity, a higher power factor of ˜18 μW cm-1 K-2 at room temperature, and also higher average ZT. This work shows that texturing is good for higher thermoelectric performance, suggesting that single crystals of n-type Mg3Sb2-based Zintl compounds are worth pursuing.

Preparation of Ti species coating hydrotalcite by chemical vapor deposition for photodegradation of azo dye.

Science.gov (United States)

Xiao, Gaofei; Zeng, HongYan; Xu, Sheng; Chen, ChaoRong; Zhao, Quan; Liu, XiaoJun

2017-10-01

TiO 2 in anatase crystal phase is a very effective catalyst in the photocatalytic oxidation of organic compounds in water. To improve its photocatalytic activity, the Ti-coating MgAl hydrotalcite (Ti-MgAl-LDH) was prepared by chemical vapor deposition (CVD) method. Response surface method (RSM) was employed to evaluate the effect of Ti species coating parameters on the photocatalytic activity, which was found to be affected by the furnace temperature, N 2 flow rate and influx time of precursor gas. Application of RSM successfully increased the photocatalytic efficiency of the Ti-MgAl-LDH in methylene blue photodegradation under UV irradiation, leading to improved economy of the process. According to the results from X-ray diffraction, scanning electron microscopy, Brunner-Emmet-Teller and Barrett-Joyner-Hallender, thermogravimetric and differential thermal analysis, UV-vis diffuse reflectance spectra analyses, the Ti species (TiO 2 or/and Ti 4+ ) were successfully coated on the MgAl-LDH matrix. The Ti species on the surface of the Ti-MgAl-LDH lead to a higher photocatalytic performance than commercial TiO 2 -P25. The results suggested that CVD method provided a new approach for the industrial preparation of Ti-coating MgAl-LDH material with good photocatalytic performances. Copyright © 2017. Published by Elsevier B.V.

Hydrothermal synthesis and crystal structures of Na{sub 2}Be{sub 3}(SeO{sub 3}){sub 4}.H{sub 2}O and Cs{sub 2}[Mg(H{sub 2}O){sub 6}]{sub 3}(SeO{sub 3}){sub 4}

Energy Technology Data Exchange (ETDEWEB)

Shen, Chen; Mei, Dajiang; Sun, Chuanling; Liu, Yunsheng; Wu, Yuandong [College of Chemistry and Chemical Engineering, Shanghai University of Engineering Science (China)

2017-09-04

The selenites, Na{sub 2}Be{sub 3}(SeO{sub 3}){sub 4}.H{sub 2}O and Cs{sub 2}[Mg(H{sub 2}O){sub 6}]{sub 3}(SeO{sub 3}){sub 4}, were synthesized under hydrothermal conditions. The crystal structures of Na{sub 2}Be{sub 3}(SeO{sub 3}){sub 4}.H{sub 2}O and Cs{sub 2}[Mg(H{sub 2}O){sub 6}]{sub 3}(SeO{sub 3}){sub 4} were determined by single-crystal X-ray diffractions. Na{sub 2}Be{sub 3}(SeO{sub 3}){sub 4}.H{sub 2}O crystallizes in the triclinic space group P1 (no. 2) with unit cell parameters a = 4.8493(9), b = 12.013(2), c = 12.077(2) Aa, and Z = 2, whereas Cs{sub 2}[Mg(H{sub 2}O){sub 6}]{sub 3}(SeO{sub 3}){sub 4} crystallizes in the monoclinic space group C2/m (no. 12) with lattice cell parameters a = 12.596(6), b = 7.297(4), c = 16.914(8) Aa, and Z = 2. Na{sub 2}Be{sub 3}(SeO{sub 3}){sub 4}.H{sub 2}O features a three-dimensional open framework structure formed by BeO{sub 4} tetrahedra and SeO{sub 3} trigonal pyramids. Na cations and H{sub 2}O molecules are located in different tunnels. Cs{sub 2}[Mg(H{sub 2}O){sub 6}]{sub 3}(SeO{sub 3}){sub 4} has a structure composed of isolated [Mg(H{sub 2}O){sub 6}] octahedra and SeO{sub 3} trigonal pyramids interacted by hydrogen bonds, and Cs cations are resided in-between. Both compounds were characterized by thermogravimetric analysis and FT-IR spectroscopy. (copyright 2017 WILEY-VCH Verlag GmbH and Co. KGaA, Weinheim)

Structural and physical properties of Mg3-xZnxSb2 (x=0-1.34)

International Nuclear Information System (INIS)

Ahmadpour, Faraz; Kolodiazhnyi, Taras; Mozharivskyj, Yurij

2007-01-01

The Mg 3-x Zn x Sb 2 phases with x=0-1.34 were prepared by direct reactions of the elements in tantalum tubes. According to the X-ray single crystal and powder diffraction, the Mg 3-x Zn x Sb 2 phases crystallize in the same P3-bar m1 space group as the parent Mg 3 Sb 2 phase. The Mg 3-x Zn x Sb 2 structure is different from the other substituted structures of Mg 3 Sb 2 , such as (Ca, Sr, Ba) Mg 2 Sb 2 or Mg 5.23 Sm 0.77 Sb 4 , in a way that in Mg 3-x Zn x Sb 2 the Mg atoms on the tetrahedral sites are replaced, while in the other structures Mg on the octahedral sites is replaced. Thermoelectric performance for the two members of the series, Mg 3 Sb 2 and Mg 2.36 Zn 0.64 Sb 2 , was evaluated from low to room temperatures through resistivity, Seebeck coefficient and thermal conductivity measurements. In contrast to Mg 3 Sb 2 which is a semiconductor, Mg 2.36 Zn 0.64 Sb 2 is metallic and exhibits an 18-times larger dimensionless figure-of-merit, ZT, at room temperature. However, thermoelectric performance of Mg 2.36 Zn 0.64 Sb 2 is still poor and it is mostly due to its large electrical resistivity. - Graphical abstract: The Mg atoms in Mg 3 Sb 2 were successfully substituted with Zn, with Zn going exclusively into the tetrahedral sites. Zn substitution increases the electrical conductivity in Mg 2.36 Zn 0.64 Sb 2 by closing the band gap. This change combined with a decrease in the thermal conductivity improves the ZT value

Efeito da composição das correntes do conversor das unidades de FCC no desempenho catalítico de aditivos DESOx Influence of the composition of the streams to the FCC converter unit on the catalytic performance of DESOx additives

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Carla Maria Salerno Polato

2009-01-01

Full Text Available Hydrotalcite-like compounds having Mg partially replaced by Cu or Mn were prepared and used as precursors for two mixed oxides (Cu-OM50 and Mn-OM50 that were evaluated for SOx removal in the presence of O2, NO and CO. Under SO2/O2 reaction system, SOx removal was slightly higher over Cu-OM50. The addition of CO and NO to the feed markedly hindered the SO2 oxidation over Cu-OM50 while no significant effect was observed for Mn-OM50. For the regeneration step, the use of propane instead of H2 reduces regeneration capacity, mainly for Cu-OM50. Mn-OM50 was less affected by the feed composition, suggesting that it was a promising additive for SOx removal.

Lattice mismatch and energy transfer of Eu- and Dy-codoped MO–Al2O3–SrO (M=Mg, Ca, Ba) ternary compounds affecting luminescence behavior

International Nuclear Information System (INIS)

Liang, Chen-Jui; Huang, Kuan-Yu

2017-01-01

A systematic investigation of energy transfers and luminescence behaviors for M x Sr 0.94−x Al 2 O 4 :Eu 0.02 , Dy 0.04 (M=Mg, Ca, Ba; x=0, 0.235, 0.47, 0.705, 0.94) ternary compounds was accomplished. The results demonstrated that six phenomena must be fitted into the energy-transfer mechanisms of the ternary compounds: (1) the optical band-gap energy of Mg 0.94 Al 2 O 4 :Eu 0.02 Dy 0.04 is extremely low and does not allow photoemission; (2) Ca 2+ and Ba 2+ ions are the main hosts when x≥0.47 in Ca x Sr 1−x Al 2 O 4 :Eu 0.02 Dy 0.04 and Ba x Sr 1−x Al 2 O 4 :Eu 0.02 Dy 0.04 , respectively; (3) Eu 3+ ions are the main activator ions in Ca x Sr 1−x Al 2 O 4 :Eu 0.02 Dy 0.04 with x=0.47 and in Ba x Sr 1−x Al 2 O 4 :Eu 0.02 Dy 0.04 with x=0.353−0.705; (4) Sr 2+ and Eu 2+ ions are the main host and activator ions, respectively, when x<0.353 in each ternary compound; (5) energy transfers from the MO phases to the SrO phase because the conduction band energy of SrO is the lowest; and (6) mutual substitution between alkaline-earth ions does not alter the resultant structures’ crystal field and nephelauxetic effects, as determined by measuring their luminescence. Two energy transfer paths were discovered to be possible in CaO–Al 2 O 3 –SrO and BaO–Al 2 O 3 –SrO ternary compounds, and the boundaries determining which path was chosen were the atomic ratios Ca:Sr and Ba:Sr, both approximately 1.6:1 (x=0.353). Because second path increased the energy transferred from the MO band gap to the SrO band gap, the corresponding structure's spectrum emission intensity was approximately 4.3 times higher than that of the SrO−Al 2 O 3 binary compound, and their photoluminescence was thus substantially higher.

Instability of TiC and TiAl3 compounds in Al-10Mg and Al-5Cu alloys by addition of Al-Ti-C master alloy

Institute of Scientific and Technical Information of China (English)

无

2006-01-01

The performance of Al-Ti-C master alloy in refining Al-10Mg and A1-5Cu alloys was studied by using electron probe micro-analyzer (EPMA) and X-ray diffractometer (XRD) analysis.The results indicate that there are obvious fading phenomena in both Al-10Mg and Al-5Cu alloys with the addition of Al-5Ti-0.4C refiner which contains TiC and TiAl3 compounds.Mg element has no influence on the stability of TiC and TiAl3, while TiC particles in Al-10Mg alloy react with Al to form Al4C3 particles, resulting in the refinement fading.However, TiC particles are relatively stable in Al-5Cu alloy, while TiAl3 phase reacts with Al2Cu to produce a new phase Ti(Al, Cu)2, which is responsible for the refinement fading in Al-5Cu alloy.These indicate that the refinement fading will not occur only when both the TiC particles and TiAl3 compound of Al-Ti-C refiner are stable in Al alloys.

Development of Hydrotalcite Based Cobalt Catalyst by Hydrothermal and Co-precipitation Method for Fischer-Tropsch Synthesis

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Muhammad Faizan Shareef

2017-10-01

Full Text Available This paper presents the effect of a synthesis method for cobalt catalyst supported on hydrotalcite material for Fischer-Tropsch synthesis. The hydrotalcite supported cobalt (HT-Co catalysts were synthesized by co-precipitation and hydrothermal method. The prepared catalysts were characterized by using various techniques like BET (Brunauer–Emmett–Teller, SEM (Scanning Electron Microscopy, TGA (Thermal Gravimetric Analysis, XRD (X-ray diffraction spectroscopy, and FTIR (Fourier Transform Infrared Spectroscopy. Fixed bed micro reactor was used to test the catalytic activity of prepared catalysts. The catalytic testing results demonstrated the performance of hydrotalcite based cobalt catalyst in Fischer-Tropsch synthesis with high selectivity for liquid products. The effect of synthesis method on the activity and selectivity of catalyst was also discussed. Copyright © 2017 BCREC Group. All rights reserved Received: 3rd November 2016; Revised: 26th February 2017; Accepted: 9th March 2017; Available online: 27th October 2017; Published regularly: December 2017 How to Cite: Sharif, M.S., Arslan, M., Iqbal, N., Ahmad, N., Noor, T. (2017. Development of Hydrotalcite Based Cobalt Catalyst by Hydrothermal and Co-precipitation Method for Fischer-Tropsch Synthesis. Bulletin of Chemical Reaction Engineering & Catalysis, 12(3: 357-363 (doi:10.9767/bcrec.12.3.762.357-363

Preparation of hydrotalcite compounds using ultrasound irradiation to capture CO{sub 2}; Preparacion de compuestos tipo hidrotalcita utilizando irradiacion de ultrasonido para la captura de CO{sub 2}

Energy Technology Data Exchange (ETDEWEB)

Martinez, J.A.J.; Paredes, S.P.; Valenzuela, M.A.; Hernandez, M.L. [Instituto Politecnico Nacional, ESIQIE, Mexico, D.F. (Mexico)]. E-mail: sparedesc@ipn.com.mx

2009-09-15

Al-Mg hydrotalcite compounds (HTC) were prepared using co-precipitation, sol-gel and reconstruction of the structure with ultrasound-assisted irradiation. The interlaminar components for each method were nitrate, acetylacetonate ethoxide and metavanadate, respectively. Optimization of the synthesis was performed using x-ray diffraction. The effect of the different parameters on synthesis was studied, including pH, time and ultrasound irradiation power. In addition, for the reconstruction method, temperature and calcination time were evaluated. For all methods, ultrasound-assisted methods were found to be more efficient and economical than conventional methods reported (autoclave). They also have the advantage of being able to control properties such as crystallinity, porosity and the specific surface, which significantly depends on the preparation method, irradiation time and type of interlaminar component. These methods are intended to synthesize interlaminar anionic materials that are very scarce in nature with better properties than traditional adsorbents used for the capture of CO{sub 2}. [Spanish] Se prepararon compuestos tipo hidrotalcita Al-Mg por los metodos de: coprecipitacion, sol gel y reconstruccion de la estructura asistidos por irradiacion de ultrasonido. Los componentes interlaminares para cada metodo fueron respectivamente: nitrato, etoxido-acetilacetonato y metavanadato. La optimizacion de la sintesis, se efectuo mediante difraccion de rayos-X. Se estudio el efecto de diversos parametros en la sintesis: pH, tiempo y potencia de irradiacion de ultrasonido, ademas, para el metodo de reconstruccion se evaluaron la temperatura y el tiempo de calcinacion. En todos los casos se encontro que el empleo de metodos asistidos por ultrasonido resultan ser mas eficientes y economicos que los metodos convencionales reportados (autoclave), ademas tienen la ventaja, de poder controlar propiedades tales como: la cristalinidad, la porosidad y la superficie

Evaluation of level of impregnation monomers in hydrotalcite

International Nuclear Information System (INIS)

Carmo, Danieli M. do; Machado, Jacson S.C.; Oliveira, Marcelo F.L.; Oliveira, Marcia G.; Soares, Bluma G.

2011-01-01

To evaluate the impregnation degree of 1,6-hexamethylene diisocyanate and 1,4-butanediol monomers in hydrotalcite clays it was prepared dispersions with mixing ratio 1:100 (clay/monomer), using the Ultraturrax and Ultrasound. Subsequently the samples were characterized by Fourier Transform Infrared Spectroscopy and X-ray Diffraction. Swelling tests and Tyndall effect were used to illustrate the different dispersions. The results indicated a strong interaction between the hydrotalcite with 1,6-hexamethylene diisocyanate, favoring the formation of intercalated structures. (author)

Amphetamine-like effects of anorectics and related compounds in pigeons.

Science.gov (United States)

Evans, S M; Johanson, C E

1987-06-01

Four pigeons were trained to discriminate injections of d-amphetamine (AMPH; 2.0 mg/kg i.m.) from saline with responding maintained under a fixed-ratio 30 schedule of food delivery. When drugs used therapeutically as anorectics were tested, they consistently produced greater than 80% of AMPH-appropriate responding. The order of potency for substituting for AMPH was: mazindol greater than AMPH = phenmetrazine = phentermine greater than chlorphentermine = phendimetrazine = diethylpropion greater than clortermine = mefenorex. Other anorectics such as phenylpropanolamine (0.3-30.0 mg/kg) and fenfluramine (1.0-17.0 mg/kg) only substituted partially for AMPH whereas benzphetamine (1.0-100.0 mg/kg) resulted primarily in saline-appropriate responding. Compounds related to AMPH in biochemical mechanism of action or psychomotor stimulant activity also were tested. Methylphenidate (0.1-3.0 mg/kg), piribedil (0.3-17.0 mg/kg) and nisoxetine (0.03-1.0 mg/kg) shared discriminative stimulus properties with AMPH whereas bupropion (1.0-30.0 mg/kg) and propylhexedrine (10.0-100.0 mg/kg) substituted for AMPH in two of three pigeons tested. In contrast, caffeine and fenetylline resulted principally in saline-appropriate responding. Compounds from pharmacological classes not related to AMPH, such as morphine, diazepam and phencyclidine, failed to substitute for AMPH. In general, compounds with anorectic and/or stimulant properties shared discriminative stimulus properties with AMPH.

Anti-Pseudomonas aeruginosa compound, 1,2,3,4-tetrahydro-1,3,5-triazine derivative, exerts its action by primarily targeting MreB.

Science.gov (United States)

Yamachika, Shinichiro; Sugihara, Chika; Tsuji, Hayato; Muramatsu, Yasunori; Kamai, Yasuki; Yamashita, Makoto

2012-01-01

In order to find new anti-Pseudomonas agents, we carried out whole-cell based P. aeruginosa growth assay, and identified 1,2,3,4-tetrahydro-1,3,5-triazine (Compound A). This compound showed anti-Pseudomonas activity against wild as well as pumpless strain equally at a same concentration. Also, this compound was structurally very similar to A22, which is known to inhibit the bacterial actin-like protein MreB. By the analysis of resistant strains, the primary target of this compound in P. aeruginosa was definitely confirmed to be MreB. In addition, these compounds showed a bacteriostatic effect, and induced the morphology changes in P. aeruginosa from rod shape to sphere shape, which leads to be clinically favorable in terms of susceptibility to phagocytosis and release of endotoxin. These results display that Compound A is a very attractive compound which shows anti-P. aeruginosa activity based on inhibition of MreB without being affected by efflux pumps, and could provide a new step toward development of new promising anti-Pseudomonas agents, MreB inhibitors.

Mechanochemical Synthesis of Nanostructured MgXNi1-XO Compound by Mg-NiO Mixture

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Nader Setoudeh

2017-06-01

Full Text Available Synthesis of magnesium nickel oxide phase such as MgxNi1-xO solid solutions has been studied in this research article using mechnochmical reaction between magnesium and nickel oxide. Mixtures of magnesium powder and nickel oxide (Mg+NiO with stoichiometric compositions were milled for different times in a planetary ball mill. Reduction reaction of nickel oxide by magnesium via a mechanically induced self-sustaining reaction (MSR was confirmed in the XRD measurements of the as-milled samples. Formation of nanostructured magnesium nickel oxide phases (such as Mg0.4Ni0.6O or MgNiO2 was observed after isothermal heating of the 30 minutes milled samples at 1000°C where nickel phase seems to disappear in XRD patterns. The traces of phases such as Mg0.4Ni0.6O or MgNiO2 were also observed in the as-milled mixtures. Therefore, the XRD results of the as-milled samples suggested that the formation of magnesium nickel oxide phases could be possible even after prolonged milling. The XRD and SEM results of both as-milled and isothermally heated samples indicated that the crystallite size and particle size of the final products reached to nanoscale after milling. Morphological and compositional evolution of the samples after heat treatment was monitored through SEM imaging and elemental analyses. The results confirmed that the composition of final product is close to Mg0.4Ni0.6O compound.

Resolvin D1 and D2 Reverse Lipopolysaccharide-Induced Depression-Like Behaviors Through the mTORC1 Signaling Pathway.

Science.gov (United States)

Deyama, Satoshi; Ishikawa, Yuka; Yoshikawa, Kotomi; Shimoda, Kento; Ide, Soichiro; Satoh, Masamichi; Minami, Masabumi

2017-07-01

Resolvin D1 and D2 are bioactive lipid mediators that are generated from docosahexaenoic acid. Although recent preclinical studies suggest that these compounds have antidepressant effects, their mechanisms of action remain unclear. We investigated mechanisms underlying the antidepressant effects of resolvin D1 and resolvin D2 in lipopolysaccharide (0.8 mg/kg, i.p.)-induced depression model mice using a tail suspension test. I.c.v. infusion of resolvin D1 (10 ng) and resolvin D2 (10 ng) produced antidepressant effects; these effects were significantly blocked by a resolvin D1 receptor antagonist WRW4 (10 µg, i.c.v.) and a resolvin D2 receptor antagonist O-1918 (10 µg, i.c.v.), respectively. The mammalian target of rapamycin complex 1 inhibitor rapamycin (10 mg/kg, i.p.) and a mitogen-activated protein kinase kinase inhibitor U0126 (5 µg, i.c.v.) significantly blocked the antidepressant effects of resolvin D1 and resolvin D2. An AMPA receptor antagonist NBQX (10 mg/kg, i.p.) and a phosphoinositide 3-kinase inhibitor LY294002 (3 µg, i.c.v.) blocked the antidepressant effects of resolvin D1 significantly, but not of resolvin D2. Bilateral infusions of resolvin D1 (0.3 ng/side) or resolvin D2 (0.3 ng/side) into the medial prefrontal cortex or dentate gyrus of the hippocampus produced antidepressant effects. These findings demonstrate that resolvin D1 and resolvin D2 produce antidepressant effects via the mammalian target of rapamycin complex 1 signaling pathway, and that the medial prefrontal cortex and dentate gyrus are important brain regions for these antidepressant effects. These compounds and their receptors may be promising targets for the development of novel rapid-acting antidepressants, like ketamine and scopolamine. © The Author 2017. Published by Oxford University Press on behalf of CINP.

Electric field induced lattice strain in pseudocubic Bi(Mg{sub 1/2}Ti{sub 1/2})O{sub 3}-modified BaTiO{sub 3}-BiFeO{sub 3} piezoelectric ceramics

Energy Technology Data Exchange (ETDEWEB)

Fujii, Ichiro, E-mail: ifujii@rins.ryukoku.ac.jp [Department of Materials Chemistry, Ryukoku University, Otsu, Shiga 520-2194 (Japan); Iizuka, Ryo; Ueno, Shintaro; Nakashima, Kouichi; Wada, Satoshi [Interdisciplinary Graduate School of Medical and Engineering, University of Yamanashi, Kofu, Yamanashi 400-8510 (Japan); Nakahira, Yuki; Sunada, Yuya; Magome, Eisuke; Moriyoshi, Chikako; Kuroiwa, Yoshihiro [Department of Physical Science, Hiroshima University, Higashihiroshima, Hiroshima 739-8526 (Japan)

2016-04-25

Contributions to the piezoelectric response in pseudocubic 0.3BaTiO{sub 3}-0.1Bi(Mg{sub 1/2}Ti{sub 1/2})O{sub 3}-0.6BiFeO{sub 3} ceramics were investigated by synchrotron X-ray diffraction under electric fields. All of the lattice strain determined from the 110, 111, and 200 pseudocubic diffraction peaks showed similar lattice strain hysteresis that was comparable to the bulk butterfly-like strain curve. It was suggested that the hysteresis of the lattice strain and the lack of anisotropy were related to the complex domain structure and the phase boundary composition.

High-Pressure Synthesis and Study of NO+NO3− and NO2+NO3− Ionic Solids

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A. Yu. Kuznetsov

2009-01-01

Full Text Available Nitrosonium-nitrate NO+NO3− and dinitrogen pentoxide NO2+NO3− ionic crystals were synthesized by laser heating of a condensed oxygen-rich O2-N2 mixture compressed to different pressures, up to 40 GPa, in a diamond anvil cell (DAC. High-pressure/high-temperature Raman and X-ray diffraction studies of synthesized samples disclosed a transformation of NO+NO3− compound to NO2+NO3− crystal at temperatures above ambient and pressures below 9 GPa. High-pressure experiments revealed previously unreported bands in Raman spectra of NO+NO3− and NO2+NO3− ionic crystals. Structural properties of both ionic compounds are analyzed. Obtained experimental results support a hypothesis of a rotational disorder of NO+ complexes in NO+NO3− and indicate a rotational disorder of ionic complexes in NO2+NO3− solid.

Usage of immobilized porcine pancreas lipase in the hydrolysis of roselle (Hibiscus sabdariffa L.) seed oil

Science.gov (United States)

Ai, Chau Tran Diem; Linh, Vo Thi Hong; Yen, Tran Thi Ngoc; Nguyen, Nguyen Thi; Hoa, Phan Ngoc

2017-09-01

This study focused on the comparison among the usage of immobilized porcine pancreas lipase (PPL) on different hydrotalcite carriers (uncalcined and calcined hydrotalcite - like compound Mg /Al) and free lipase as the catalysts to hydrolyze of roselle (Hibiscus sabdariffa L.) seed oil. The reaction conditions were investigated including the ratio of oil to buffer, ratio of enzyme to substrate, the temperature of the hydrolysis, pH. The calcined hydrotalcite showed a higher lipase immobilization yield and a better reusability than the uncalcined hydrotalcite (87.15% and 86.78%, respectively).

Biodiesel production from soybean oil and methanol using hydrotalcites as catalyst

Energy Technology Data Exchange (ETDEWEB)

Silva, Carla Cristina C.M.; Aranda, Donato A.G. [GREENTEC - Laboratory of Green Technologies, Escola de Quimica, Universidade Federal do Rio de Janeiro (UFRJ), Centro de Tecnologia, Bloco E, sala 211, CEP 21941-909, Rio de Janeiro, RJ (Brazil); Ribeiro, Nielson F.P.; Souza, Mariana M.V.M. [LabTecH - Laboratory of Hydrogen Technologies, Escola de Quimica/UFRJ, Centro de Tecnologia, Bloco E, sala 206, CEP 21941-909, Rio de Janeiro, RJ (Brazil)

2010-02-15

Esters of fatty acids, derived from vegetable oils or animal fats, and known as biodiesel, are a promising alternative diesel fuel regarding the limited resources of fossil fuels and the environmental concerns. In this work, methanolysis of soybean oil was investigated using Mg-Al hydrotalcites as heterogeneous catalyst, evaluating the effect of Mg/Al ratio on the basicity and catalytic activity for biodiesel production. The catalysts were prepared with Al/(Mg + Al) molar ratios of 0.20, 0.25 and 0.33, and characterized by X-ray diffraction (XRD), textural analysis (BET method) and temperature-programmed desorption of CO{sub 2} (CO{sub 2}-TPD). When the reaction was carried out at 230 C with a methanol:soybean oil molar ratio of 13:1, a reaction time of 1 h and a catalyst loading of 5 wt.%, the oil conversion was 90% for the sample with Al/(Mg + Al) ratio of 0.33. This sample was the only one to show basic sites of medium strength. We also investigated the reuse of this catalyst, the effect of calcination temperature and made a comparison between refined and acidic oil. (author)

Enhanced photocatalytic properties of the 3D flower-like Mg-Al layered double hydroxides decorated with Ag{sub 2}CO{sub 3} under visible light illumination

Energy Technology Data Exchange (ETDEWEB)

Ao, Yanhui, E-mail: andyao@hhu.edu.cn; Wang, Dandan; Wang, Peifang; Wang, Chao; Hou, Jun; Qian, Jin

2016-08-15

Highlights: • 3D flower-like Ag{sub 2}CO{sub 3}/Mg-Al layered double hydroxide composite was prepared. • The nanocomposites exhibited high photocatalytic activities on different organic pollutants. • The mechanism of the enhanced activity were investigated. - Abstract: A facile anion-exchange precipitation method was employed to synthesize 3D flower-like Ag{sub 2}CO{sub 3}/Mg-Al layered double hydroxide composite photocatalyst. Results showed that Ag{sub 2}CO{sub 3} nanoparticles dispersed uniformly on the petals of the flower-like Mg-Al LDH. The obtained nanocomposites exhibited high photocatalytic activities on different organic pollutants (cationic and anionic dyes, phenol) under visible light illumination. The high photocatalytic activity can be ascribed to the special structure which accomplishes the wide-distribution of Ag{sub 2}CO{sub 3} nanoparticles on the surfaces of the 3D flower-like nanocomposites. Therefore, it can provide much more active sites for the degradation of organic pollutant. Then the photocatalytic mechanism was also verified by reactive species trapping experiments in detail. The work would pave a facile way to prepare LDHs based hierarchical photocatalysts with high activity for the degradation of wide range organic pollutants under visible light irradiation.

Ionic elastomers based on carboxylated nitrile rubber (XNBR and magnesium aluminum layered double hydroxide (hydrotalcite

Directory of Open Access Journals (Sweden)

A. Laskowska

2014-06-01

Full Text Available The presence of carboxyl groups in carboxylated nitrile butadiene rubber (XNBR allows it to be cured with different agents. This study considers the effect of crosslinking of XNBR by magnesium aluminum layered double hydroxide (MgAl-LDH, known also as hydrotalcite (HT, on rheometric, mechano-dynamical and barrier properties. Results of XNBR/HT composites containing various HT loadings without conventional curatives are compared with XNBR compound crosslinked with commonly used zinc oxide. Hydrotalcite acts as an effective crosslinking agent for XNBR, as is particularly evident from rheometric and Fourier transform infrared spectroscopy (FTIR studies. The existence of ionic crosslinks was also detected by dynamic mechanical analysis (DMA of the resulting composites. DMA studies revealed that the XNBR/HT composites exhibited two transitions – one occurring at low temperature is associated to the Tg of elastomer and the second at high temperature corresponds to the ionic transition temperature Ti. Simultaneous application of HT as a curing agent and a filler may deliver not only environmentally friendly, zinc oxide-free rubber product but also ionic elastomer composite with excellent mechanical, barrier and transparent properties.

APLIKASI PENGOLAHAN POLUTAN ANION KHROM(VI DENGAN MENGGUNAKAN AGEN PENUKAR ION HYDROTALCIT ZN-AI-SO4 (Synthesis of and its Application to Treat Chrom(VI Pollutant Using Hydrotalcite Zn-Al_SO4 as Anion Exchanger

Directory of Open Access Journals (Sweden)

Roto Roto

2009-03-01

Full Text Available ABSTRAK Keberadaan logam khrom di dalam sistem perairan bersifat polutan yang harus ditangani dengan baik, dan untuk khrom (Vl yang sering dijumpai dalam bentuk anion dapat diolah dengan menggunakan mekanisme pertukaran ion. Suatu agen penukar anion telah dibuat berupa senyawa hidrotalsit Zn-Al-SOa melalui proses sintesis, karakterisasi serta dilakukan pula pengujian aplikasinya untuk pengurangan polutant anion khrom (VI dalam bentuk ion dikromat. Sintesis hidrotalsit Zn-Al-SOa dilakukan dengan metode stoikiometri pada pH 8 dan perlakuan hidrotermal. Aplikasi pertukaran dikromat dengan anion sulfat dalam antar lapis hidrotalsit serta uji regenerasi bahan diamati dengan bantuan analisis struktur dan analisis kinetika reaksi pertukaran. Produk pertukaran ion dikarakterisasi dengan XRD, spektrofotometri IR dan spektrometri serapan atom. Rumus kimia hidrotalsit produk diketahui adalah Zn0,74Al0,26(OH1,74(SO40,13.0,52H2O. Anion dikromat dapat menukar sulfat dalam antarlapis hidrotalsit yang ditunjukkan dalam spektra IR dan pola XRD. Kapasitas pertukaran anion untuk dikromat diketahui 216,84 mek/100 g, sedangkan kinetika reaksi pertukaran ion mengikuti orde dua dengan k = 3 x 10-8 ppm-1.detik-1. Hasil menunjukkan Zn-Al-Cr2O7 dapat mudah diregenerasi.    ABSTRACT  Chrom as pollutant in aquatics system usually establishes as crom (VI and should be worked with special treatment and as an example is ion exchanger. Material Zn-Al-SO4 hydrotalcite product have been synthesized and its application as anion exchanger for dichromate have been studied. Synthesis of Zn-Al-SO4 hydrotalcite was carried out by stoichiometric method at pH 8 and hydrothermal treatment. Sulphate in hydrotalcite interlayer was exchanged by dichromate. Kinetics of ion exchange was also investigated. The product of ion exchange was characterized by XRD, IR spectrophotometry and atomic adsorption  spectrometry. The chemical formula of the  hydrotalcite is Zn0.74Al0.26(OH1.74(SO4 0

Compósitos magnéticos baseados em hidrotalcitas para a remoção de contaminantes aniônicos em água Magnetic composites based on hydrotalcites for removal of anionic contaminants in water

Directory of Open Access Journals (Sweden)

Leandro da Conceição

2007-10-01

Full Text Available In this work the adsorption features of hydrotalcites (Al, Mg- CO3 and the magnetic properties of iron oxides have been combined in a composite to produce a magnetic adsorbent. These magnetic composites can be used as adsorbents for anionic contaminants in water and subsequently removed from the medium by a simple magnetic process. The magnetic hydrotalcites were characterized by XRD, magnetization measurements, N2 adsorption isotherms and Mössbauer spectroscopy. These magnetic adsorbents show remarkable adsorption capacity for anionic contaminants in water.

Grain refinement of Ca addition in a twin-roll-cast Mg-3Al-1Zn alloy

Energy Technology Data Exchange (ETDEWEB)

Jiang Bin, E-mail: jiangbinrong@cqu.edu.cn [National Engineering Research Center for Magnesium Alloys, Chongqing University, Chongqing 400030 (China); College of Materials Science and Engineering, Chongqing University, Chongqing 400030 (China); Liu Wenjun [College of Materials Science and Engineering, Chongqing University, Chongqing 400030 (China); Qiu Dong; Zhang Mingxing [Division of Materials, School of Mechanical and Mining Engineering, University of Queensland, St Lucia, QLD 4072 (Australia); Pan Fusheng [National Engineering Research Center for Magnesium Alloys, Chongqing University, Chongqing 400030 (China)

2012-04-16

Highlights: Black-Right-Pointing-Pointer Grain refinement of Ca addition in a twin-roll-cast Mg-3Al-1Zn alloy was investigated. Black-Right-Pointing-Pointer Addition of 0.08 wt% Ca into Mg melts can significantly reduce the grain size to 30 {mu}m from 100 {mu}m. Black-Right-Pointing-Pointer Al{sub 2}Ca intermetallic particles have high potency to act as heterogeneous nucleation sites for {alpha}-Mg. - Abstract: Addition of 0.08 wt% Ca into AZ31 melts significantly reduces the average grain size of thin strips produced by twin-roll-cast to 30 {mu}m from 100 {mu}m. Like Zr, due to the high chemical activity, the Ca added into the melts reacts with Al and forms Al{sub 2}Ca intermetallic compound. X-ray diffraction result approves the existence of Al{sub 2}Ca in the thin strips, which formed in the melts. Crystallographic examination of relationship between Al{sub 2}Ca and Mg using the edge-to-edge matching model indicates that Al{sub 2}Ca particles are effective inoculants for heterogeneous nucleation of Mg. It is considered that Al{sub 2}Ca is a potential and effective grain refiner for Mg alloys and the grain refinement through addition of Ca in the AZ31 alloy is attributed to the inoculation effect of Al{sub 2}Ca particles formed in the melts.

Chemisorption of H2O and CO2 on hydrotalcites for sorptionenhanced water-gas-shift processes

NARCIS (Netherlands)

Coenen, K.T.; Gallucci, F.; Cobden, P.; van Dijk, E; Hensen, E.J.M.; van Sint Annaland, M.

2017-01-01

Thermogravimetric analysis and breakthrough experiments in a packed bed reactor were used to validate a developed adsorption model to describe the cyclic working capacity of CO2 and H2O on a potassium-promoted hydrotalcite, a very promising adsorbent for sorption-enhanced water-gas-shift

Chemisorption of H2O and CO2 on hydrotalcites for sorptionenhanced water-gas-shift processes

NARCIS (Netherlands)

Coenen, K.T.; Gallucci, F.; Cobden, P.; van Dijk, E.; Hensen, E.J.M.; van Sint Annaland, M.

2016-01-01

Thermogravimetric analysis and breakthrough experiments in a packed bed reactor were used to validate a developed adsorption model to describe the cyclic working capacity of CO¬2 and H2O on a potassium-promoted hydrotalcite, a very promising adsorbent for sorption-enhanced water-gas-shift

Structural and electrical properties of (1-x)(Na1/2Bi1/2)TiO3-xPb(Mg1/3Nb2/3)O3 solid solution

International Nuclear Information System (INIS)

Lee, J.-K.; Yi, J.Y.; Hong, K.S.

2004-01-01

Structural, dielectric and piezoelectric properties of (1-x)(Na 1/2 Bi 1/2 )TiO 3 -xPb(Mg 1/3 Nb 2/3 )O 3 (NBT-xPMN) solid solution have been investigated. An addition of PMN into NBT transformed the structure of sintered samples from rhombohedral to pseudocubic phase where x is larger than 0.1. In calcined powders, however, the intermediate structure were observed between rhombohedral and cubic phases near x=0.1. The formation of solid solution between NBT and PMN modified the dielectric and piezoelectric properties of NBT to be suitable for high temperature dielectric and piezoelectric material. With increasing the content of PMN, the temperature-stability of ε r (T) increased and the high temperature dielectric loss decreased. In addition, the piezoelectric property of NBT-xPMN was enhanced, for the decrease of coercive field and conductivity promoted the domain reversal under the high electric field of the poling process

Effect of Adding Elements on Microstructure of Mg-3Si Alloy

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CUI Bin

2017-03-01

Full Text Available The microstructure of alloy Mg-3Si(mass fraction/%, same as below after successive additions with different elements of Zn, Nd, Gd and Y was observed and the microstructure evolution was investigated by scanning electron microscopy and X-ray diffraction. The results show the primary Mg2Si particles co-exist with eutectic Mg2Si particles in binary alloy Mg-Si. With minor addition of Zn element, only primary Mg2Si can be found in ternary Mg-3Si-3Zn system while eutectic Mg2Si particles disappear. In quaternary alloy Mg-2.0Nd-3.0Zn-3.0Si, the addition of Nd element can effectively refine the primary Mg2Si particles and form some Mg41Nd5 particles. After continuous adding of Gd and Y elements into quaternary system, Gd5Si3 and YSi particles increase significantly in the alloy Mg-8.0Gd-4.0Y-2.0Nd-3.0Zn-3.0Si, while volume fraction of primary Mg2Si decrease significantly. Thermo-Calc calculation predicts that the Gibbs free energy for primary particles Gd5Si3, YSi is lower, and therefore Gd, Y atom and Si are more likely to form compounds. In Mg-8Gd-4Y-2Nd-3Zn-3Si alloy, room temperature Gibbs free energy for primary particles Mg2Si, Gd5Si3, YSi is -9.56×104, -8.72×104, -2.83×104J/mol, respectively, and the mass fraction of these particles is 8.07%, 5.27%, 1.40% respectively.

Optical properties of Mg2+, Yb3+, and Ho3+ tri-doped LiNbO3 crystals

Science.gov (United States)

Dai, Li; Liu, Chun-Rui; Tan, Chao; Yan, Zhe-Hua; Xu, Yu-Heng

2017-04-01

A series of LiNbO3 crystals tri-doped with Mg{}2+, Yb{}3+, and Ho{}3+ are grown by the conventional Czochraski technique. The concentrations of Mg{}2+, Yb{}3+, and Ho{}3+ ions in Mg:Yb:Ho:LiNbO3 crystals are measured by using an inductively coupled plasma atomic emission spectrometry. The x-ray diffraction is proposed to determine the lattice constant and analyze the internal structure of the crystal. The light-induced scattering of Mg:Yb:Ho:LiNbO3 crystal is quantitatively described via the threshold effect of incident exposure energy flux. The exposure energy ({E}{{r}}) is calculated to discuss the optical damage resistance ability. The exposure energy of Mg(7 mol):Yb:Ho:LiNbO3 crystal is 709.17 J/cm2, approximately 425 times higher than that of the Mg(1 mol):Yb:Ho:LiNbO3 crystal in magnitude. The blue, red, and very intense green bands of Mg:Yb:Ho:LiNbO3 crystal are observed under the 980-nm laser excitation to evaluate the up-conversion emission properties. The dependence of the emission intensity on pumping power indicates that the up-conversion emission is a two-photon process. The up-conversion emission mechanism is discussed in detail. This study indicates that Mg:Yb:Ho:LiNbO3 crystal can be applied to the fabrication of new multifunctional photoluminescence devices. Project supported by the National Natural Science Foundation of China (Grant No. 51301055), the Youth Science Fund of Heilongjiang Province, China (Grant No. QC2015061), the Special Funds of Harbin Innovation Talents in Science and Technology Research, China (Grant No. 2015RQQXJ045 ), and the Science Funds for the Young Innovative Talents of Harbin University of Science and Technology, China (Grant No. 201501).

Enhanced hydrogen generation by hydrolysis of Mg doped with flower-like MoS2 for fuel cell applications

Science.gov (United States)

Huang, Minghong; Ouyang, Liuzhang; Liu, Jiangwen; Wang, Hui; Shao, Huaiyu; Zhu, Min

2017-10-01

In this work, flower-like MoS2 spheres are synthesized via a hydrothermal method and the catalytic activity of the as-prepared and bulk MoS2 on hydrolysis of Mg is systematically investigated for the first time. The Mg-MoS2 composites are prepared by ball milling and the hydrogen generation performances of the composites are investigated in 3.5% NaCl solution. The experimental results suggest that the as-prepared MoS2 exhibits better catalytic effect on hydrolysis of Mg compared to bulk MoS2. In particular, Mg-10 wt% MoS2 (as-prepared) composite milled for 1 h shows the best hydrogen generation properties and releases 90.4% of theoretical hydrogen generation capacity within 1 min at room temperature. The excellent catalytic effect of as-prepared MoS2 may be attributed to the following aspects: three-dimensional flower-like MoS2 architectures improve its dispersibility on Mg particles; make the composite more reactive; hamper the generated Mg(OH)2 from adhering to the surface of Mg; and increase the galvanic corrosion of Mg. In addition, a hydrogen generator based on the hydrolysis reaction of Mg-0.2 wt% MoS2 composite is manufactured and it can supply a maximum hydrogen flow rate of 2.5 L/min. The findings here demonstrate the as-prepared flower-like MoS2 can be a promising catalyst for hydrogen generation from Mg.

A density functional study of NO{sub 2} adsorption on perfect and defective MgO (1 0 0) and Li/MgO (1 0 0) surfaces

Energy Technology Data Exchange (ETDEWEB)

Eid, Kh.M., E-mail: Khaled_eid@edu.asu.edu.eg [Physics Department, Faculty of Education, Ain Shams University, P.O. Box 11757, Cairo (Egypt); Ammar, H.Y. [Physics Department, Faculty of Education, Ain Shams University, P.O. Box 11757, Cairo (Egypt); Department of Physics, Faculty of Science, Najran University, Najran (Saudi Arabia)

2012-07-15

The density functional theory (DFT) in combination with embedded cluster model have been used to study the adsorption of nitrogen dioxide molecule (NO{sub 2}) on Li atom deposited on the surfaces of metal oxide MgO (1 0 0) on both anionic (O{sup 2-}) and defect (F{sub s} and F{sub s}{sup +}-centers) sites. The adsorption energy (E{sub ads}) of NO{sub 2} molecule (N-down as well as O-down) in different positions on O{sup -2}, F{sub s} and F{sub s}{sup +}-sites is considered. The geometrical optimizations have been done for the additive materials and MgO substrate surfaces. The formation energies have been evaluated for F{sub s} and F{sub s}{sup +} of MgO substrate surfaces. The ionization potential (IP) and electron affinity (eA) for defect free and defect containing surfaces have been calculated. The adsorption properties of NO{sub 2} are analyzed in terms of the adsorption energy, the electron donation (basicity), the elongation of N-O bond length and the atomic charges on adsorbed materials. The densities of states (DOS) have been calculated and used for examining the adsorption properties. The NO{sub 2} molecule is dissociated due to the interaction with the defective substrate surface (F{sub s}-site) producing an oxygen atom strongly chemisorbed to the vacancy of the substrate and gaseous NO far away from the surface. The presence of the Li atom increases the surface chemistry of the anionic O{sup 2-}-site of MgO substrate surfaces (converted from physisorption to chemisorption). On the other hand, the presence of the Li atom decreases the surface chemistry of the F{sub s} and F{sub s}{sup +}-sites of MgO substrate surfaces. Generally, the NO{sub 2} molecule is strongly adsorbed (chemisorption) on the MgO substrate surfaces containing F{sub s} and F{sub s}{sup +}-centers.

Experimental lifetimes for Mg-like chlorine

International Nuclear Information System (INIS)

Engstroem, L.; Bengtsson, P.; Jupen, C.; Livingston, A.E.; Martinson, I.

1995-01-01

The results of beam-foil measurements of lifetimes for low-lying singlet levels in Mg-like chlorine, Cl VI, are presented. The decay curves were analyzed by means of the arbitrarily normalized decay curve method, combined with the recently developed CANYL code, which facilitates studies of decay chains. Cascade corrected data are presented for the levels 3s3p 1 P, 3p 2 1 S, 3p 2 1 D, and 3s3d 1 D, whereas less rigorous lifetime values, based on curve fits, were obtained for the 3p3d 1 D, 3p3d 1 F, and 3s4f 1 F levels. The data are in excellent agreement with recent theoretical values, and previous discrepancies between experiment and theory for short-lived states have been removed

Influence of slag chemistry on the hydration of alkali-activated blast-furnace slag — Part II: Effect of Al2O3

International Nuclear Information System (INIS)

Ben Haha, M.; Lothenbach, B.; Le Saout, G.; Winnefeld, F.

2012-01-01

The hydration and microstructural evolution of three alkali activated slags (AAS) with Al 2 O 3 contents between 7 and 17% wt.% have been investigated. The slags were hydrated in the presence of two different alkaline activators, NaOH and Na 2 SiO 3 ·5H 2 O. The formation of C(-A)–S–H and hydrotalcite was observed in all samples by X-ray diffraction, thermal analysis and scanning electron microscopy. Higher Al 2 O 3 content of the slag decreased the Mg/Al ratio of hydrotalcite, increased the Al incorporation in the C(-A)-S-H and led to the formation of strätlingite. Increasing Al 2 O 3 content of the slag slowed down the early hydration and a lower compressive strength during the first days was observed. At 28 days and longer, no significant effects of slag Al 2 O 3 content on the degree of hydration, the volume of the hydrates, the coarse porosity or on the compressive strengths were observed.

Synthesis and in-silico molecular docking simulation of 3-chloro-4-substituted-1-(2-(1H-benzimidazol-2-ylphenyl-azetidin-2-ones as novel analgesic anti-inflammatory agent

Directory of Open Access Journals (Sweden)

Santosh S. Chhajed

2016-11-01

Full Text Available In the present investigation synthesis of some novel 1-(2-(1H-benzimidazol-2-ylphenyl-3-chloro-4-(Un/substitutedphenylazetidin-2-one (3a–3h is reported. All these compounds were characterized by IR, Mass, 1H NMR and elemental analysis. The newly synthesized compounds were screened for analgesic and anti-inflammatory activities on acetic acid induced writhing in mice and carrageenan induced paw edema in rats. Compound 3 g was found to have potent analgesic (46% at 20 mg/kg b.w and anti-inflammatory (66.5% at 20 mg/kg b.w activities as compared to standard drug nimesulide (20 mg/kg b.w. To check binding modes and binding affinity of synthesized compounds were docked into the active sites of enzyme COX-II. Compounds 3a, 3e and 3 h were found to have good affinity for COX-II. A good correlation is found between in silico docking analysis and in biological screening.

Co-hydrothermal synthesis of LiMn_2_3_/_2_4Mg_1_/_2_4PO_4·LiAlO_2/C nano-hybrid cathode material with enhanced electrochemical performance for lithium-ion batteries

International Nuclear Information System (INIS)

Zhang, Jun; Luo, Shaohua; Chang, Longjiao; Hao, Aimin; Wang, Zhiyuan; Liu, Yanguo; Xu, Qian; Wang, Qing; Zhang, Yahui

2017-01-01

Highlights: • A co-hydrothermal approach to synthesize LiMn_2_3_/_2_4Mg_1_/_2_4PO_4·LiAlO_2/C composite material in water/PEG system is present. • The Mn_1_-_xMg_xPO_4 precursor is prepared by precipitation reaction. • Co-modified with Mg"2"+ doping and LiAlO_2 compositing strategies play an important role in improving the electronic conductivity and facilitating the diffusion of lithium ion. • LiMn_2_3_/_2_4Mg_1_/_2_4PO_4·LiAlO_2/C composite material exhibits a high specific discharge capacity of 151.8 mAh/g at 0.05C. - Abstract: LiMn_2_3_/_2_4Mg_1_/_2_4PO_4·LiAlO_2/C is synthesized by a co-hydrothermal method in water/PEG system using Li_2CO_3, AAO and Mn_1_-_xMg_xPO_4 as raw material. The electronic structure and micromorphology of multi-component compound LiMn_1_-_xMg_xPO_4/C (x = 0, 1/24, 1/12, 1/6) and nano-hybrid LiMn_2_3_/_2_4Mg_1_/_2_4PO_4·LiAlO_2/C cathode materials are studied by first-principles calculation and experimental research including XRD, SEM, TEM. The calculated band gap of LiMn_2_3_/_2_4Mg_1_/_2_4PO_4/C is 2.296 eV, which is lower than other percentages Mg"2"+ doping samples. Electrochemical tests exhibit LiMn_2_3_/_2_4Mg_1_/_2_4PO_4/C has better cycling performance and rate capability than other contents Mg"2"+ doping samples with the discharge capacity of 143.5 mAh/g, 141.5 mAh/g, 139.2 mAh/g and 136.3 mAh/g at 0.05C, 0.1C, 0.5C and 1C in order. After compositing and preparation of LiMn_2_3_/_2_4Mg_1_/_2_4PO_4·LiAlO_2/C composite material by co-hydrothermal route, the initial discharge capacity reaches up to 151.8 mAh/g, which suggests that co-modified with Mg"2"+ doping and LiAlO_2 compositing material can improve the electronic conductivity of LiMnPO_4/C by facilitating the lithium ion diffusion rate in the interior of the materials.

Synthesis, crystal structure and biological activity of a novel 1,2,3-thidiazole compound

International Nuclear Information System (INIS)

Ke, W.

2013-01-01

A new 1,2,3-thiadiazole compound was synthesized and characterized by 1H NMR, MS and HRMS. The crystal structure of the title compound (C/sub 12/H/sub 11/ClN/sub 2/O/sub 4/S/sub 2/, Mr = 346.80) has been determined by single-crystal X-ray diffraction. The crystal is of triclinic, space group P-1 with a = 8.4425(17) A, b = 8.9801(18) A, c = 9.859(2) A, alpha = 84.36(3) degree, beta = 86.71(3)degree, lambda = 83.25(3) degree, V = 737.9(3)A3, Z 2, F(000) = 356, Dc = 1.561 g/cm/sup 3/, mu = 0.557 mm-1, the final R1 0.0380 and wR2 = 0.0982 for 2160 observed reflections with I > 2sigma(I). A total of 12585 reflections were collected, of which 2601 were independent (Rint 0.0364). The herbicidal activity of title compound was determined, the results showed the title compound displayed excellent herbicidal activity against Brassica campestris. (author)

ÓXIDOS METÁLICOS DERIVADOS DE MATERIAIS TIPO HIDROTALCITAS CONTENDO Ga3+ COMO CATALISADORES PARA SÍNTESE DE BIODIESEL ETÍLICO

Directory of Open Access Journals (Sweden)

Marcelo Mancini

Full Text Available Summary: The synthesis of like-hydrotalcites materials (layered double hydroxides - LDHs with molecular formula MgxM3+y(CO3(OH16·4H2O in different ratios Mg2+/M3+ where M3+ is Al3+, Ga3+ or both was carried out by the coprecipitation method to be applied in the transesterification reactions for synthesis of ethyl biodiesel from soybean oil and ethanol. The reactions were processed for 12 hours at 120 ºC at a molar ratio oil/ethanol (1/20 with 20% (m/m of the catalyst in relation to the oil mass, and the products were quantified by GC-FID. With the introduction of Ga3+ in the solid, some physicochemical characteristics of LDHs were kept based in the data from X-ray pattern diffraction (XRD, vibrational spectrometry (ATR-FTIR, and scanning electron microscopy (SEM, but changes from thermogravimetric analysis (TGA, superficial area (BET, and the acidity/basicity properties were observed. Typical hydrotalcite with Mg2+/M3+ = 3 was used as reference material and reach 45.1% of biodiesel conversion. Although the best conversion result (77.6% was reached from the solid without Ga3+ and with Mg2+/M3+ ratio 4/1, there is an interesting correlation between the catalytic activities and the physicochemical properties of the solids with Ga3+ and their respective homologous materials as discussed in this work.

Sorption-desorption of antimony species onto calcined hydrotalcite: Surface structure and control of competitive anions.

Science.gov (United States)

Constantino, Leonel Vinicius; Quirino, Juliana Nunes; Abrão, Taufik; Parreira, Paulo Sérgio; Urbano, Alexandre; Santos, Maria Josefa

2018-02-15

Calcined hydrotalcite can be applied to remove anionic contaminants from aqueous systems such as antimony species due to its great anion exchange capacity and high surface area. Hence, this study evaluated antimonite and antimonate sorption-desorption processes onto calcined hydrotalcite in the presence of nitrate, sulfate and phosphate. Sorption and desorption experiments of antimonite and antimonate were carried out in batch equilibrium and the post-sorption solids were analyzed by X-ray fluorescence (EDXRF). Sorption data were better fitted by dual-mode Langmuir-Freundlich model (R 2 >0.99) and desorption data by Langmuir model. High maximum sorption capacities were found for the calcined hydrotalcite, ranging from 617 to 790meqkg -1 . The competing anions strongly affected the antimony sorption. EDXRF analysis and mathematical modelling showed that sulfate and phosphate presented higher effect on antimonite and antimonate sorption, respectively. High values for sorption efficiency (SE=99%) and sorption capacity were attributed to the sorbent small particles and the large surface area. Positive hysteresis indexes and low mobilization factors (MF>3%) suggest very low desorption capacity to antimony species from LDH. These calcined hydrotalcite characteristics are desirable for sorption of antimony species from aqueous solutions. Copyright © 2017. Published by Elsevier B.V.

Triangular M/G/1-type and tree-like QBD Markov chains

NARCIS (Netherlands)

Van Houdt, B.; Leeuwaarden, van J.S.H.

2009-01-01

In applying matrix-analytic methods to M/G/1-type and tree-like QBD Markov chains, it is crucial to determine the solution to a (set of) nonlinear matrix equation(s). This is usually done via iterative methods. We consider the highly structured subclass of triangular M/G/1-type and tree-like QBD

Heterospin systems constructed from [Cu2Ln]3+ and [Ni(mnt)2]1-,2- Tectons: First 3p-3d-4f complexes (mnt = maleonitriledithiolato).

Science.gov (United States)

Madalan, Augustin M; Avarvari, Narcis; Fourmigué, Marc; Clérac, Rodolphe; Chibotaru, Liviu F; Clima, Sergiu; Andruh, Marius

2008-02-04

New heterospin complexes have been obtained by combining the binuclear complexes [{Cu(H(2)O)L(1)}Ln(O(2)NO)(3)] or [{CuL(2)}Ln(O(2)NO)(3)] (L(1) = N,N'-propylene-di(3-methoxysalicylideneiminato); L(2) = N,N'-ethylene-di(3-methoxysalicylideneiminato); Ln = Gd(3+), Sm(3+), Tb(3+)), with the mononuclear [CuL(1)(2)] and the nickel dithiolene complexes [Ni(mnt)(2)](q)- (q = 1, 2; mnt = maleonitriledithiolate), as follows: (1)infinity[{CuL(1)}(2)Ln(O(2)NO){Ni(mnt)(2)}].Solv.CH(3)CN (Ln = Gd(3+), Solv = CH(3)OH (1), Ln = Sm(3+), Solv = CH(3)CN (2)) and [{(CH(3)OH)CuL(2)}(2)Sm(O(2)NO)][Ni(mnt)(2)] (3) with [Ni(mnt)2]2-, [{(CH(3)CN)CuL(1)}(2)Ln(H(2)O)][Ni(mnt)(2)]3.2CH(3)CN (Ln = Gd(3+) (4), Sm(3+) (5), Tb(3+) (6)), and [{(CH(3)OH)CuL(2)}{CuL(2)}Gd(O(2)NO){Ni(mnt)(2)}][Ni(mnt)(2)].CH(2)Cl(2) (7) with [Ni(mnt))(2]*-. Trinuclear, almost linear, [CuLnCu] motifs are found in all the compounds. In the isostructural 1 and 2, two trans cyano groups from a [Ni(mnt)2]2- unit bridge two trimetallic nodes through axial coordination to the Cu centers, thus leading to the establishment of infinite chains. 3 is an ionic compound, containing discrete [{(CH(3)OH)CuL(2)}(2)Sm(O(2)NO)](2+) cations and [Ni(mnt)(2)](2-) anions. Within the series 4-6, layers of discrete [CuLnCu](3+) motifs alternate with stacks of interacting [Ni(mnt)(2)](*-) radical anions, for which two overlap modes, providing two different types of stacks, can be disclosed. The strength of the intermolecular interactions between the open-shell species is estimated through extended Hückel calculations. In compound 7, [Ni(mnt)(2)](*-) radical anions coordinate group one of the Cu centers of a trinuclear [Cu(2)Gd] motif through a CN, while discrete [Ni(mnt)(2)](*-) units are also present, overlapping in between, but also with the coordinated ones. Furthermore, the [Cu(2)Gd] moieties dimerize each other upon linkage by two nitrato groups, both acting as chelate toward the gadolinium ion from one unit and monodentate toward a

Formation, stability and structural characterization of ternary MgUO{sub 2}(CO{sub 3}){sub 3}{sup 2-} and Mg{sub 2}UO{sub 2}(CO{sub 3}){sub 3}(aq) complexes

Energy Technology Data Exchange (ETDEWEB)

Lee, Jun-Yeop; Yun, Jong-Il [KAIST, Daejeon (Korea, Republic of). Dept. of Nuclear and Quantum Engineering; Vespa, Marika; Gaona, Xavier; Dardenne, Kathy; Rothe, Joerg; Rabung, Thomas; Altmaier, Marcus [Karlsruhe Institute of Technology, Karlsruhe (Germany). Inst. for Nuclear Waste Disposal

2017-06-01

The formation of ternary Mg-UO{sub 2}-CO{sub 3} complexes under weakly alkaline pH conditions was investigated by time-resolved laser fluorescence spectroscopy (TRLFS) and extended X-ray absorption fine structure (EXAFS) and compared to Ca-UO{sub 2}-CO{sub 3} complexes. The presence of two different Mg-UO{sub 2}-C{sub 3} complexes was identified by means of two distinct fluorescence lifetimes of 17±2 ns and 51±2 ns derived from the multi-exponential decay of the fluorescence signal. Slope analysis in terms of fluorescence intensity coupled with fluorescence intensity factor as a function of log [Mg(II)] was conducted for the identification of the Mg-UO{sub 2}-CO{sub 3} complexes forming. For the first time, the formation of both MgUO{sub 2}(CO{sub 3}){sub 3}{sup 2-} and Mg{sub 2}UO{sub 2}(CO{sub 3}){sub 3}(aq) species was confirmed and the corresponding equilibrium constants were determined as log β {sub 113}=25.8±0.3 and β {sub 213}=27.1±0.6, respectively. Complementarily, fundamental structural information for both Ca-UO{sub 2}-CO{sub 3} and Mg-UO{sub 2}-CO{sub 3} complexes was gained by extended EXAFS revealing very similar structures between these two species, except for the clearly shorter U-Mg distance (3.83 Aa) compared with U-Ca distance (4.15 Aa). These results confirmed the inner-sphere character of the Ca/Mg-UO{sub 2}-CO{sub 3} complexes. The formation constants determined for MgUO{sub 2}(CO{sub 3}){sub 3}{sup 2-} and Mg{sub 2}UO{sub 2}(CO{sub 3}){sub 3}(aq) species indicate that ternary Mg-UO{sub 2}-CO{sub 3} complexes contribute to the relevant uranium species in carbonate saturated solutions under neutral to weakly alkaline pH conditions in the presence of Mg(II) ions, which will induce notable influences on the U(VI) chemical species under seawater conditions.

Reactions of 5-[1-(2-phenylmethylidene]-3-phenylimidazolidine-2,4-diones with some organometallic reagents

Directory of Open Access Journals (Sweden)

Teresa A. R. Akeng'a

2005-06-01

Full Text Available The reaction of Grignard reagents with 5-[1-(2-chlorophenylmethylidene]-3-phenylimidazolidine-2,4-dione, 4, and 5-[1-(2-bromophenylmethylidene]-3-phenylimidazolidine-2,4-dione, 5, gave exclusively 1,2-addition products, 6-8, in 70-80% yields. Lithium dibutylcuprate reacted with 4 to yield exclusively 1,2-addition product 9 (92%. No conjugate or 1,4-addition products were obtained. These results indicate that 5-[1-(2-phenylmethylidene]-3-phenylimidazolidine-2,4-diones do not react like normal unsaturated carbonyl compounds.

A Short Review on the Catalytic Activity of Hydrotalcite-Derived Materials for Dry Reforming of Methane

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Radosław Dębek

2017-01-01

Full Text Available Nickel-containing hydrotalcite-derived materials have been recently proposed as promising materials for methane dry reforming (DRM. Based on a literature review and on the experience of the authors, this review focuses on presenting past and recent achievements on increasing activity and stability of hydrotalcite-based materials for DRM. The use of different NiMgAl and NiAl hydrotalcite (HT precursors, various methods for nickel introduction into HT structure, calcination conditions and promoters are discussed. HT-derived materials containing nickel generally exhibit high activity in DRM; however, the problem of preventing catalyst deactivation by coking, especially below 700 °C, is still an open question. The proposed solutions in the literature include: catalyst regeneration either in oxygen atmosphere or via hydrogasification; or application of various promoters, such as Zr, Ce or La, which was proven to enhance catalytic stability.

Ab initio investigation of isomerism, structure and stability of dimer molecules of (LiMgH3)2 and (LiMgF3)2salts and their fragments

International Nuclear Information System (INIS)

Charkin, O.P.; Klimenko, N.M.; MakKi, M.L.

2000-01-01

Ab initio calculations of potential energy surfaces in neighborhood of key structures of non rigid dimer molecules of lithium salts of (LiMgX 3 ) 2 and binuclear anions Mg 2 X 5 - , dianions MgX 6 2- and molecules Mg 2 X 4 (X=H, F) are done in the framework of QCI-SD(T)/6-31(+)G**//MP2/6-31G* + ZPE(MP2/6-31G*) and MP2/6-31G*//HF/6-31G* + ZPE(HF/6-31G*) approximations. Equilibrium geometric parameters, relative energy and energy of decomposition of isomers, frequencies and IR-intensities of normal vibrations are determined. Data obtained are compared with results of analogous calculations for beryllium related compounds [ru

Oxygen redox chemistry without excess alkali-metal ions in Na2/3[Mg0.28Mn0.72]O2.

Science.gov (United States)

Maitra, Urmimala; House, Robert A; Somerville, James W; Tapia-Ruiz, Nuria; Lozano, Juan G; Guerrini, Niccoló; Hao, Rong; Luo, Kun; Jin, Liyu; Pérez-Osorio, Miguel A; Massel, Felix; Pickup, David M; Ramos, Silvia; Lu, Xingye; McNally, Daniel E; Chadwick, Alan V; Giustino, Feliciano; Schmitt, Thorsten; Duda, Laurent C; Roberts, Matthew R; Bruce, Peter G

2018-03-01

The search for improved energy-storage materials has revealed Li- and Na-rich intercalation compounds as promising high-capacity cathodes. They exhibit capacities in excess of what would be expected from alkali-ion removal/reinsertion and charge compensation by transition-metal (TM) ions. The additional capacity is provided through charge compensation by oxygen redox chemistry and some oxygen loss. It has been reported previously that oxygen redox occurs in O 2p orbitals that interact with alkali ions in the TM and alkali-ion layers (that is, oxygen redox occurs in compounds containing Li + -O(2p)-Li + interactions). Na 2/3 [Mg 0.28 Mn 0.72 ]O 2 exhibits an excess capacity and here we show that this is caused by oxygen redox, even though Mg 2+ resides in the TM layers rather than alkali-metal (AM) ions, which demonstrates that excess AM ions are not required to activate oxygen redox. We also show that, unlike the alkali-rich compounds, Na 2/3 [Mg 0.28 Mn 0.72 ]O 2 does not lose oxygen. The extraction of alkali ions from the alkali and TM layers in the alkali-rich compounds results in severely underbonded oxygen, which promotes oxygen loss, whereas Mg 2+ remains in Na 2/3 [Mg 0.28 Mn 0.72 ]O 2 , which stabilizes oxygen.

The Crucial Role of the K+-Aluminium Oxide Interaction in K+-Promoted Alumina- and Hydrotalcite-Based Materials for CO2 Sorption at High Temperatures

Energy Technology Data Exchange (ETDEWEB)

Walspurger, S.; Boels, L.; Cobden, P.D.; Elzinga, G.D.; Haije, W.G.; Van den Brink, R.W. [Energy Research Centre of the Netherlands ECN, Westerduinweg 3, 1755LE, Petten (Netherlands)

2008-09-15

CO2-free hydrogen can be produced from coal gasification power plants by pre-combustion decarbonisation and carbon dioxide capture. Potassium carbonate promoted hydrotalcite-based and alumina-based materials are cheap and excellent materials for high-temperature (300-500C) adsorption of CO2, and particularly promising in the sorption-enhanced water gas shift (SEWGS) reaction. Alkaline promotion significantly improves CO2 reversible sorption capacity at 300-500C for both materials. Hydrotalcites and promoted hydrotalcites, promoted magnesium oxide and promoted -alumina were investigated by in situ analytical methods (IR spectroscopy, sorption experiments, X-ray diffraction) to identify structural and surface rearrangements. All experimental results show that potassium ions actually strongly interact with aluminium oxide centres in the aluminium-containing materials. This study unambiguously shows that potassium promotion of aluminium oxide centres in hydrotalcite generates basic sites which reversibly adsorb CO2 at 400C.

An in-situ IR study on the adsorption of CO2 and H2O on hydrotalcites

NARCIS (Netherlands)

Coenen, K.T.; Gallucci, F.; Mezari, B.; Hensen, E.J.M.; van Sint Annaland, M.

2018-01-01

In-situ IR technique was used to study the reversible adsorption of CO2 and H2O at elevated temperatures on a potassium-promoted hydrotalcite for its use in sorption-enhanced water-gas shift (SEWGS). It was found that mainly bidentate carbonate species are responsible for the reversible (cyclic)

Synthesis, crystal structure, and magnetic properties of novel 2D kagome materials RE{sub 3}Sb{sub 3}Mg{sub 2}O{sub 14} (RE = La, Pr, Sm, Eu, Tb, Ho): Comparison to RE{sub 3}Sb{sub 3}Zn{sub 2}O{sub 14} family

Energy Technology Data Exchange (ETDEWEB)

Sanders, M.B.; Baroudi, K.M.; Krizan, J.W.; Mukadam, O.A.; Cava, R.J. [Department of Chemistry, Princeton University, Princeton, NJ (United States)

2016-10-15

The crystal structures and magnetic properties of RE{sub 3}Sb{sub 3}Mg{sub 2}O{sub 14} (RE = La, Pr, Sm, Eu, Tb, Ho) with a perfect kagome lattice are presented and compared to RE{sub 3}Sb{sub 3}Zn{sub 2}O{sub 14}. Rietveld structure refinements were performed using X-ray diffraction data, indicating that the layered compounds are fully structurally ordered. The compounds crystallize in a rhombohedral supercell of the cubic pyrochlore structure, in the space group R-3m. Magnetic susceptibility measurements show no signs of magnetic ordering above 2 K. The RE{sub 3}Sb{sub 3}Mg{sub 2}O{sub 14} family is similar to that of RE{sub 3}Sb{sub 3}Zn{sub 2}O{sub 14}; however, the series reported here features a fully ordered distribution of cations in both the nonmagnetic antimony and magnetic rare earth kagome lattices. Unlike the offsite disorder that Zn{sup 2+} experiences in RE{sub 3}Sb{sub 3}Zn{sub 2}O{sub 14}, the magnesium sites in RE{sub 3}Sb{sub 3}Mg{sub 2}O{sub 14} are completely ordered. Here we compare the magnetic properties in both series of kagome compounds to determine how significant Zn{sup 2+}'s positional ordering is within this structure type. The compounds reported here appear to be relatively defect-free and are therefore model systems for investigating magnetic frustration on an ideal 2D rare earth kagome lattice. (copyright 2016 WILEY-VCH Verlag GmbH and Co. KGaA, Weinheim)

Total oxidation of toluene over calcined trimetallic hydrotalcites type catalysts

Energy Technology Data Exchange (ETDEWEB)

Palacio, Luz A. [Instituto Superior Tecnico, IBB - Centro de Engenharia Biologica e Quimica, Universidade Tecnica de Lisboa, Av. Rovisco Pais, 1049-001 Lisboa (Portugal); Grupo Catalizadores y Adsorbentes, Universidad de Antioquia 1-317, A.A. 1226 Medellin (Colombia); Velasquez, Juliana; Echavarria, Adriana [Grupo Catalizadores y Adsorbentes, Universidad de Antioquia 1-317, A.A. 1226 Medellin (Colombia); Faro, Arnaldo [Departamento de Fisicoquimica, Instituto de Quimica, Universidade Federal do Rio de Janeiro, Ilha do Fundao, CT bloco A, Rio de Janeiro (Brazil); Ramoa Ribeiro, F. [Instituto Superior Tecnico, IBB - Centro de Engenharia Biologica e Quimica, Universidade Tecnica de Lisboa, Av. Rovisco Pais, 1049-001 Lisboa (Portugal); Ribeiro, M. Filipa, E-mail: filipa.ribeiro@ist.utl.pt [Instituto Superior Tecnico, IBB - Centro de Engenharia Biologica e Quimica, Universidade Tecnica de Lisboa, Av. Rovisco Pais, 1049-001 Lisboa (Portugal)

2010-05-15

Two trimetallic ZnCuAl and MnCuAl hydrotalcites have been successfully synthesized by a co-precipitation method. The manganese based material was identified as a new hydrotalcite phase. Both lamellar precursors were calcined at 450 and 600 deg. C and the resulting catalysts were tested on reaction of total oxidation of toluene. The solids were characterized by X-ray diffraction, thermal analysis, atomic absorption spectroscopy, Fourier transformed infrared spectroscopy, N{sub 2} adsorption and H{sub 2} temperature-programmed reduction. It was found that ZnCuAl materials are composed of copper and zinc oxides supported on alumina; while MnCuAl ones comprise basically spinel phases, which were not completely identified. The catalytic behavior of the calcined samples showed that Mn hydrotalcite calcined at 450 deg. C exhibited the best catalytic performance that corresponds to 100% toluene conversion into CO{sub 2} at about 300 deg. C.

Total oxidation of toluene over calcined trimetallic hydrotalcites type catalysts

International Nuclear Information System (INIS)

Palacio, Luz A.; Velasquez, Juliana; Echavarria, Adriana; Faro, Arnaldo; Ramoa Ribeiro, F.; Ribeiro, M. Filipa

2010-01-01

Two trimetallic ZnCuAl and MnCuAl hydrotalcites have been successfully synthesized by a co-precipitation method. The manganese based material was identified as a new hydrotalcite phase. Both lamellar precursors were calcined at 450 and 600 deg. C and the resulting catalysts were tested on reaction of total oxidation of toluene. The solids were characterized by X-ray diffraction, thermal analysis, atomic absorption spectroscopy, Fourier transformed infrared spectroscopy, N 2 adsorption and H 2 temperature-programmed reduction. It was found that ZnCuAl materials are composed of copper and zinc oxides supported on alumina; while MnCuAl ones comprise basically spinel phases, which were not completely identified. The catalytic behavior of the calcined samples showed that Mn hydrotalcite calcined at 450 deg. C exhibited the best catalytic performance that corresponds to 100% toluene conversion into CO 2 at about 300 deg. C.

New 1,2,4-triazine bearing compounds: molecular modeling, synthesis and biotesting

Directory of Open Access Journals (Sweden)

Negrutska V. V.

2009-12-01

Full Text Available Aim. To enlarge a spectrum of biologically active compounds in the series of the 1,2,4-triazino[5,6-b] [1,4]benzothiazine (1,2,4-TBT derivatives and reveal among them efficient inhibitors of RNA synthesis Methods. The methods of structure optimization of the 3-oxo-1,2,4-TBT by fragment-oriented substitution, the molecular doking of new structures in a virtual target, the rational chemical synthesis of the theoretically predicted compounds and their testing in the system of transcription in vitro. Results. The series of 1,2,4-TBT derivatives with substituents in the benzene and triazine cycles of a base molecule were synthesized. The testing of synthesized compounds in the in vitro transcription system directed by T7 RNA polymerase revealed the structure- and concentration-dependent inhibition of the RNA synthesis by some of these compounds. The experimental and virtual screening data for all investigated compounds have a good correlation. It was found that most effective derivative is the 3-oxo-8-butyl-1,2,4-TBT which completely inhibited transcription at the concentration of 6 mg/ml. Conclusions. The biotesting results allow us to assume that the inhibition of RNA synthesis is caused by binding of the 3-oxo- 8-butyl-1,2,4-TBT to both free RNA polymerase molecules and those including in a transcriptional complex with DNA

Structural and optical properties of Ta{sub 2}O{sub 5}:Eu{sup 3+}: Mg{sup 2+} or Ca{sup 2+} phosphor prepared by molten salt method

Energy Technology Data Exchange (ETDEWEB)

Verma, Naveen, E-mail: vermanaveen17@gmail.com; Singh, Krishan Chander; Jindal, Jitender [Department of chemistry, Maharshi Dayanand University, Rohtak-124001 – India (India); Mari, Bernabe; Mollar, Miguel; Manjón, F. J. [Institut de Disseny per la Fabricació Automatitzada - Departament de Física Aplicada, Universitat Politècnica de València, Camí de Vera s/n, 46022 València (Spain); Rana, Ravi [Department of Chemistry, SGT University, Gurgaon (India); Pereira, A. L. J. [Universitat Politècnica de València, 46022 València (Spain)

2016-04-13

Ta{sub 2}O{sub 5}:Eu{sup 3+}: Mg{sup 2+} or Ca{sup 2+} phosphor materials were prepared by molten salt method using KCl as flux. The X-ray diffraction (XRD) patterns illustrated that the well crystallized Ta{sub 2}O{sub 5}:Eu{sup 3+}: Mg{sup 2+} or Ca{sup 2+} were formed in the presence of flux under reduced temperature (800 °C) in contrast to conventional solid state method (1200-1500 °C). Scanning electron microscope (SEM) images indicate the achievement of well dispersed particles (hexagonal tablet and rod-like structures). Meanwhile, the photo-luminescent studies demonstrated that Ta{sub 2}O{sub 5} is an efficient host to sensitize europium red emissions. The addition of Mg{sup 2+} or Ca{sup 2+} as co-dopant enhanced the luminescent intensity of Ta{sub 2}O{sub 5}: Eu{sup 3+} compound.

Supraconductivity of TR-Ru3Si2 compounds (TR = La, Ce)

International Nuclear Information System (INIS)

Godart, C.; Gupta, L.C.; Parks, R.D.; Rauschwalbe, U.; Alheim, U.; Gottwick, U.; Lieke, W.; Steglich, F.

1984-01-01

A new family of superconducting ternary silicides MRu 3 Si 2 with M = La (Tsub(s) approximately 7 K), Y and Th was discovered by Barz and Vandenberg. Same compounds with M from Nd to Tm are magnetic and not superconductors. We studied superconductivity in the solid solution Cesub(1-x)Lasub(x)Ru 3 Si 2 of hexagonal structure from x = 0 to 1. CeRu 3 Si 2 is type II superconductor (Tsub(s) approximately 1 K), like LaRu 3 Si 2 , and is mixed valent (M.V.). Spin fluctuations temperature (Tsub(sf) approximately 440 K) is between these of non superconducting M.V. like CeSn 3 (Tsub(sf) approximately 270) and these of superconducting M.V. like CeRu 2 (Tsub(sf) approximately 770 K). Cesub(1-x)Lasub(x)Ru 3 Si 2 is the first M.V. system of Ce which is superconductor from x = 0 to 1 [fr

Sorption of phenol and phenol derivatives in hydrotalcite; Sorcion de fenol y derivados de fenol en hidrotalcita

Energy Technology Data Exchange (ETDEWEB)

Avina G, E I

2002-07-01

One of the main problems in Mexico and in the World is the waste water pollution of a great variety of industrial processes by organic compounds. Among those ones the phenol compounds which are highly toxic, refractories (to the chemical degradation) and poorly biodegradable. This is due in a large extent to the problem created by the accelerated increase in the environmental pollution in the cities and industrial centers. The phenol compounds are used in a great variety of industries such as the production of resins, plasticizers, antioxidants, pesticides, colourings, disinfectants, etc. These phenol compounds are specially harmful, since they have repercussions on the flora of plants of biological treatment of water affecting its operation. The main objective of this work is to evaluate the capacities of phenol detention and its derivatives in an hydrotalcite type compound and diminishing with it the presence in water, in this case, of solutions prepared in the laboratory. In order to analyse this elimination process was used a methodology based in the carrying out in batch experiments and in the elaboration of a sorption isotherm. It is worth pointing out that this work was realized at laboratory scale, at relatively high phenol concentration ratio. With the obtained results when the sorption properties are evaluated the calcined hydrotalcite (HTC) for detaining phenol and p-chloro phenol it was observed that it is detained greater quantity of p-chloro phenol than phenol in the HTC. The detention of these phenol compounds in the HTC is due to the memory effect by the hydrotalcite regeneration starting from the oxides which are formed by the burning material. (Author)

New Insights into the Potential Roles of 3-Iodothyronamine (T1AM and Newly Developed Thyronamine-Like TAAR1 Agonists in Neuroprotection

Directory of Open Access Journals (Sweden)

Lorenza Bellusci

2017-12-01

Full Text Available 3-Iodothyronamine (T1AM is an endogenous high-affinity ligand of the trace amine-associated receptor 1 (TAAR1, detected in mammals in many organs, including the brain. Recent evidence indicates that pharmacological TAAR1 activation may offer a novel therapeutic option for the treatment of a wide range of neuropsychiatric and metabolic disorders. To assess potential neuroprotection by TAAR1 agonists, in the present work, we initially investigated whether T1AM and its corresponding 3-methylbiaryl-methane analog SG-2 can improve learning and memory when systemically administered to mice at submicromolar doses, and whether these effects are modified under conditions of MAO inhibition by clorgyline. Our results revealed that when i.p. injected to mice, both T1AM and SG-2 produced memory-enhancing and hyperalgesic effects, while increasing ERK1/2 phosphorylation and expression of transcription factor c-fos. Notably, both compounds appeared to rely on the action of ubiquitous enzymes MAO to produce the corresponding oxidative metabolites that were then able to activate the histaminergic system. Since autophagy is key for neuronal plasticity, in a second line of experiments we explored whether T1AM and synthetic TAAR1 agonists SG1 and SG2 were able to induce autophagy in human glioblastoma cell lines (U-87MG. After treatment of U-87MG cells with 1 μM T1AM, SG-1, SG-2 transmission electron microscopy (TEM and immunofluorescence (IF showed a significant time-dependent increase of autophagy vacuoles and microtubule-associated protein 1 light chain 3 (LC3. Consistently, Western blot analysis revealed a significant increase of the LC3II/LC3I ratio, with T1AM and SG-1 being the most effective agents. A decreased level of the p62 protein was also observed after treatment with T1AM and SG-1, which confirms the efficacy of these compounds as autophagy inducers in U-87MG cells. In the process to dissect which pathway induces ATG, the effects of these compounds

Drug-likeness analysis of traditional Chinese medicines: 2. Characterization of scaffold architectures for drug-like compounds, non-drug-like compounds, and natural compounds from traditional Chinese medicines.

Science.gov (United States)

Tian, Sheng; Li, Youyong; Wang, Junmei; Xu, Xiaojie; Xu, Lei; Wang, Xiaohong; Chen, Lei; Hou, Tingjun

2013-01-21

In order to better understand the structural features of natural compounds from traditional Chinese medicines, the scaffold architectures of drug-like compounds in MACCS-II Drug Data Report (MDDR), non-drug-like compounds in Available Chemical Directory (ACD), and natural compounds in Traditional Chinese Medicine Compound Database (TCMCD) were explored and compared. First, the different scaffolds were extracted from ACD, MDDR and TCMCD by using three scaffold representations, including Murcko frameworks, Scaffold Tree, and ring systems with different complexity and side chains. Then, by examining the accumulative frequency of the scaffolds in each dataset, we observed that the Level 1 scaffolds of the Scaffold Tree offer advantages over the other scaffold architectures to represent the scaffold diversity of the compound libraries. By comparing the similarity of the scaffold architectures presented in MDDR, ACD and TCMCD, structural overlaps were observed not only between MDDR and TCMCD but also between MDDR and ACD. Finally, Tree Maps were used to cluster the Level 1 scaffolds of the Scaffold Tree and visualize the scaffold space of the three datasets. The analysis of the scaffold architectures of MDDR, ACD and TCMCD shows that, on average, drug-like molecules in MDDR have the highest diversity while natural compounds in TCMCD have the highest complexity. According to the Tree Maps, it can be observed that the Level 1 scaffolds present in MDDR have higher diversity than those presented in TCMCD and ACD. However, some representative scaffolds in MDDR with high frequency show structural similarities to those in TCMCD and ACD, suggesting that some scaffolds in TCMCD and ACD may be potentially drug-like fragments for fragment-based and de novo drug design.

SSR240612 [(2R)-2-[((3R)-3-(1,3-benzodioxol-5-yl)-3-[[(6-methoxy-2-naphthyl)sulfonyl]amino]propanoyl)amino]-3-(4-[[2R,6S)-2,6-dimethylpiperidinyl]methyl]phenyl)-N-isopropyl-N-methylpropanamide hydrochloride], a new nonpeptide antagonist of the bradykinin B1 receptor: biochemical and pharmacological characterization.

Science.gov (United States)

Gougat, Jean; Ferrari, Bernard; Sarran, Lionel; Planchenault, Claudine; Poncelet, Martine; Maruani, Jeanne; Alonso, Richard; Cudennec, Annie; Croci, Tiziano; Guagnini, Fabio; Urban-Szabo, Katalin; Martinolle, Jean-Pierre; Soubrié, Philippe; Finance, Olivier; Le Fur, Gérard

2004-05-01

The biochemical and pharmacological properties of a novel non-peptide antagonist of the bradykinin (BK) B(1) receptor, SSR240612 [(2R)-2-[((3R)-3-(1,3-benzodioxol-5-yl)-3-[[(6-methoxy-2-naphthyl)sulfonyl]amino]propanoyl)amino]-3-(4-[[2R,6S)-2,6-dimethylpiperidinyl]methyl]phenyl)-N-isopropyl-N-methylpropanamide hydrochloride] were evaluated. SSR240612 inhibited the binding of [(3)H]Lys(0)-des-Arg(9)-BK to the B(1) receptor in human fibroblast MRC5 and to recombinant human B(1) receptor expressed in human embryonic kidney cells with inhibition constants (K(i)) of 0.48 and 0.73 nM, respectively. The compound selectivity for B(1) versus B(2) receptors was in the range of 500- to 1000-fold. SSR240612 inhibited Lys(0)-desAr(9)-BK (10 nM)-induced inositol monophosphate formation in human fibroblast MRC5, with an IC(50) of 1.9 nM. It also antagonized des-Arg(9)-BK-induced contractions of isolated rabbit aorta and mesenteric plexus of rat ileum with a pA(2) of 8.9 and 9.4, respectively. Antagonistic properties of SSR240612 were also demonstrated in vivo. SSR240612 inhibited des-Arg(9)-BK-induced paw edema in mice (3 and 10 mg/kg p.o. and 0.3 and 1 mg/kg i.p.). Moreover, SSR240612 reduced capsaicin-induced ear edema in mice (0.3, 3 and 30 mg/kg p.o.) and tissue destruction and neutrophil accumulation in the rat intestine following splanchnic artery occlusion/reperfusion (0.3 mg/kg i.v.). The compound also inhibited thermal hyperalgesia induced by UV irradiation (1 and 3 mg/kg p.o.) and the late phase of nociceptive response to formalin in rats (10 and 30 mg/kg p.o.). Finally, SSR240612 (20 and 30 mg/kg p.o.) prevented neuropathic thermal pain induced by sciatic nerve constriction in the rat. In conclusion, SSR240612 is a new, potent, and orally active specific non-peptide bradykinin B(1) receptor antagonist.

Lattice mismatch and energy transfer of Eu- and Dy-codoped MO–Al{sub 2}O{sub 3}–SrO (M=Mg, Ca, Ba) ternary compounds affecting luminescence behavior

Energy Technology Data Exchange (ETDEWEB)

Liang, Chen-Jui, E-mail: cjliang@fcu.edu.tw; Huang, Kuan-Yu

2017-05-15

A systematic investigation of energy transfers and luminescence behaviors for M{sub x}Sr{sub 0.94−x}Al{sub 2}O{sub 4}:Eu{sub 0.02}, Dy{sub 0.04} (M=Mg, Ca, Ba; x=0, 0.235, 0.47, 0.705, 0.94) ternary compounds was accomplished. The results demonstrated that six phenomena must be fitted into the energy-transfer mechanisms of the ternary compounds: (1) the optical band-gap energy of Mg{sub 0.94}Al{sub 2}O{sub 4}:Eu{sub 0.02}Dy{sub 0.04} is extremely low and does not allow photoemission; (2) Ca{sup 2+} and Ba{sup 2+} ions are the main hosts when x≥0.47 in Ca{sub x}Sr{sub 1−x}Al{sub 2}O{sub 4}:Eu{sub 0.02}Dy{sub 0.04} and Ba{sub x}Sr{sub 1−x}Al{sub 2}O{sub 4}:Eu{sub 0.02}Dy{sub 0.04}, respectively; (3) Eu{sup 3+} ions are the main activator ions in Ca{sub x}Sr{sub 1−x}Al{sub 2}O{sub 4}:Eu{sub 0.02}Dy{sub 0.04} with x=0.47 and in Ba{sub x}Sr{sub 1−x}Al{sub 2}O{sub 4}:Eu{sub 0.02}Dy{sub 0.04} with x=0.353−0.705; (4) Sr{sup 2+} and Eu{sup 2+} ions are the main host and activator ions, respectively, when x<0.353 in each ternary compound; (5) energy transfers from the MO phases to the SrO phase because the conduction band energy of SrO is the lowest; and (6) mutual substitution between alkaline-earth ions does not alter the resultant structures’ crystal field and nephelauxetic effects, as determined by measuring their luminescence. Two energy transfer paths were discovered to be possible in CaO–Al{sub 2}O{sub 3}–SrO and BaO–Al{sub 2}O{sub 3}–SrO ternary compounds, and the boundaries determining which path was chosen were the atomic ratios Ca:Sr and Ba:Sr, both approximately 1.6:1 (x=0.353). Because second path increased the energy transferred from the MO band gap to the SrO band gap, the corresponding structure's spectrum emission intensity was approximately 4.3 times higher than that of the SrO−Al{sub 2}O{sub 3} binary compound, and their photoluminescence was thus substantially higher.

Synthesis, structure, and characterization of two new bismuth(III) selenite/tellurite nitrates: [(Bi3O2)(SeO3)2](NO3) and [Bi(TeO3)](NO3)

Science.gov (United States)

Meng, Chang-Yu; Wei, Ming-Fang; Geng, Lei; Hu, Pei-Qing; Yu, Meng-Xia; Cheng, Wen-Dan

2016-07-01

Two new bismuth(III) selenite/tellurite nitrates, [(Bi3O2)(SeO3)2](NO3) and [Bi(TeO3)](NO3), have been synthesized by conventional facile hydrothermal method at middle temperature 200 °C and characterized by single-crystal X-ray diffraction, powder diffraction, UV-vis-NIR optical absorption spectrum, infrared spectrum and thermal analylsis. Both [(Bi3O2)(SeO3)2](NO3) and [Bi(TeO3)](NO3) crystallize in the monoclinic centronsymmetric space group P21/c with a=9.9403(4) Å, b=9.6857(4) Å, c=10.6864(5) Å, β=93.1150(10)° for [(Bi3O2)(SeO3)2](NO3) and a=8.1489(3) Å, b=9.0663(4) Å, c=7.4729(3) Å, β=114.899(2)° for Bi(TeO3)(NO3), respectively. The two compounds, whose structures are composed of three different asymmetric building units, exhibit two different types of structures. The structure of [(Bi3O2)(SeO3)2](NO3) features a three-dimensional (3D) bismuth(III) selenite cationic tunnel structure [(Bi3O2)(SeO3)2] 3∞ with NO3- anion group filling in the 1D tunnel along b axis. The structure of [Bi(TeO3)](NO3) features 2D bismuth(III) tellurite [Bi(TeO3)2]2∞ layers separated by NO3- anion groups. The results of optical diffuse-reflectance spectrum measurements and electronic structure calculations based on density functional theory methods show that the two compounds are wide band-gap semiconductors.

Magnesium replacement in formaldehyde: Theoretical rovibrational analysis of X ∼ 3B1 MgCH2

Science.gov (United States)

Bassett, Matthew K.; Fortenberry, Ryan C.

2018-02-01

A full, anharmonic set of fundamental vibrational frequencies as well as spectrosocpic constants are provided at high-level for X ∼ 3B1 MgCH2 for the first time. The present data are in line with previous computational and Ar-matrix results, but the anharmonic data show that two brightest frequencies, ν4 and ν5 , are nearly coincident with one another at 560 cm-1. Hence, this area is the best spectral region to search for signatures of this molecule. The rotational constants are also provided indicating a near-prolate rotational progression which should aid in microwave/millimeter-wave analysis of this molecule. Magnesium is known to be a significant component of the Earth, and molecules containing it may be more common in the interstellar medium/circumstellar media than previously thought. More spectral characterization of such molecules like MgCH2 should be undertaken, and this work is a step in that direction.

Epitaxial Pb(Mg1/3Nb2/3)O3 thin films synthesized by metal-organic chemical vapor deposition

International Nuclear Information System (INIS)

Bai, G. R.; Streiffer, S. K.; Baumann, P. K.; Auciello, O.; Ghosh, K.; Stemmer, S.; Munkholm, A.; Thompson, Carol; Rao, R. A.; Eom, C. B.

2000-01-01

Metal-organic chemical vapor deposition was used to prepare Pb(Mg 1/3 Nb 2/3 )O 3 (PMN) thin films on (001) SrTiO 3 and SrRuO 3 /SrTiO 3 substrates, using solid Mg β-diketonate as the Mg precursor. Parameters including the precursor ratio in the vapor phase, growth temperature, growth rate, and reaction pressure in the reactor chamber were varied in order to determine suitable growth conditions for producing phase-pure, epitaxial PMN films. A cube-on-cube orientation relationship between the thin film and the SrTiO 3 substrate was found, with a (001) rocking curve width of 0.1 degree sign , and in-plane rocking-curve width of 0.8 degree sign . The root-mean-square surface roughness of a 200-nm-thick film on SrTiO 3 was 2 to 3 nm as measured by scanning probe microscopy. The zero-bias dielectric constant and loss measured at room temperature and 10 kHz for a 200-nm-thick film on SrRuO 3 /SrTiO 3 were approximately 1100 and 2%, respectively. The remnant polarization for this film was 16 μC/cm 2 . (c) 2000 American Institute of Physics

Synthesis, SAR and biological evaluation of a novel series of 1-(2-chloroethyl)-1-nitroso-3-(2-(3-oxobenzoelenazol-2(3H)-yl)ethyl) urea: Organoselenium compounds for cancer therapy.

Science.gov (United States)

Ye, S; Zheng, X; Hu, T; Zeng, H

2016-06-30

Thioredoxin reductase 1 (TrxR1) is an important potential anticancer drug target and closely related to both carcinogenesis and cancer progression. Ethaselen (BBSKE), a novel organoselenium compound inhibiting TrxR1 with selective antitumor effect, while its symmetrical structure results in poor solubility. Carmustine (BCNU), a DNA cross-link agent and also a deactivator of TrxR, is with high toxicity and low selectivity which limit its clinical application to some extents. Herein, a novel compound, 1-(2-chloroethyl)-1-nitroso-3-(2-(3-oxobenzoelenazol-2(3H)-yl)ethyl)urea(4a-1), which was designed through the combination of Ethaselen and Carmustine, showed good solubility, good tagetability, low toxicity and excellent antitumor activity by synergism. Using the structure of 4a-1 as a key active scaffold, a series of novel 1-(2-chloroethyl)-1-nitroso-3-(2-(3-oxobenzoelenazol-2(3H)-yl)ethyl)urea was designed, synthesized and evaluated to explore the structure-activity relationships (SARs) of these inhibitors and to improve their antitumor activities. Notably, 1-(2-chloroethyl)-3-(2-(6-fluoro-3-oxobenzoselenazol-2(3H)-yl)ethyl)-1-nitrosourea(4b-1) was found to exhibit more potent antitumor activities comparable to 4a-1 against all the four cancer cell lines, including Mia PaCa-2, PANC-1, RKO, LoVo. These results have highlighted compound 4b-1 as a new potential lead candidate for future development of novel potent broad-spectrum antitumor agents. In addition, a SAR model was established to conduct further structural modification.

SOFT MODE ANOMALIES IN THE PEROVSKITE RELAXOR Pb(Mg1/3Nb2/3)O3

International Nuclear Information System (INIS)

GEHRING, P.M.; VAKRUSHEV, S.B.; SHIRANE, G.

2000-01-01

Neutron inelastic scattering measurements of the polar TO phonon mode in the cubic relaxor Pb(Mg 1/3 Nb 2/3 )O 3 , at room temperature, reveal anomalous behavior similar to that recently observed in Pb(Zn 1/3 Nb 2/3 ) 0.92 Ti 0.08 O 3 in which the optic branch appears to drop precipitously into the acoustic branch at a finite value of the momentum transfer q = 0.2 angstrom -1 , measured from the zone center. By contrast, a recent neutron study indicates that PMN exhibits a normal TO phonon dispersion at 800 K. The authors speculate this behavior is common to all relaxor materials, and is the result of the presence of nanometer-scale polarized domains in the crystal that form below a temperature T d , which effectively prevent the propagation of long wavelength (q = 0) phonons

The microstructure and mechanical properties of Mg-3Al-3RE alloys

International Nuclear Information System (INIS)

Tian, X.; Wang, L.M.; Wang, J.L.; Liu, Y.B.; An, J.; Cao, Z.Y.

2008-01-01

The Mg-3Al-3RE alloys (RE, the cerium-rich or the yttrium-rich misch metal) were smelted in a resistance furnace under the protective flux from the Mg-RE master alloys and pure magnesium ingots. The microstructure and mechanical properties of samples prepared by steel mould casting method were investigated. Results show that the main phases of the alloys are α-Mg, Mg 17 Al 12 and Al-RE compounds, and the grain size reduced with the increasing content of the cerium-rich misch metal. Mg-3Al-2Ymm-1Cemm (Ymm, the yttrium-rich misch metal; Cemm, the Cerium-rich misch metal) exhibited the highest mechanical properties, that is UTS = 201 MPa and YS = 75 MPa, and ε = 8.2% at room temperature; UTS = 146 MPa, and YS = 70 MPa, ε = 18.2% at the temperature of 150 deg. C, respectively. Fracture surface analysis revealed that the Mg-3Al-2Ymm-1Cemm alloy has a mixed fracture feature at room temperature but ductile fracture at elevated temperature (150 deg. C)

First-Principles Study of the Li-Mg-N-H System: Compound Structures and Hydrogen Storage Properties

Science.gov (United States)

Michel, Kyle; Ozolins, Vidvuds

2009-03-01

The Li-Mg-N-H system is studied with the addition of the Li4Mg(NH)3, MgNH, and Li4NH compounds using first-principles density-functional theory (DFT) calculations. A structure for the mixed imide Li4Mg(NH)3 is proposed, belonging to the Imm2 space group. A new structure for Li2Mg(NH)2 is given that has Pca21 symmetry; this compound has been previously reported as having Iba2 symmetry. The stability of the Li4Mg-imide is studied with respect to its decomposition reactions. The static, zero-point (ZPE), and vibrational energies of all relevant compounds belonging to this system are reported along with their predicted lowest-energy structures. Dehydrogenation reactions are presented that involve these phases and which are found to be spontaneously occurring within 400 K of room temperature. It is predicted that mixing LiH, LiNH2, and Li2Mg(NH)2 at 505 K will form Li4Mg(NH)3 with the release of 2.04 wt. % H2.

Synthesis of α-amino-1,3-dicarbonyl compounds via Ugi flow chemistry reaction: access to functionalized 1,2,3-triazoles.

Science.gov (United States)

Vasconcelos, Stanley N S; Fornari, Evelin; Caracelli, Ignez; Stefani, Hélio A

2017-11-01

The Ugi multicomponent reaction has been used as an important synthetic route to obtain compounds with potential biological activity. We present the rapid and efficient synthesis of [Formula: see text]-amino-1,3-dicarbonyl compounds in moderate to good yields via Ugi flow chemistry reactions performed with a continuous flow reactor. Such [Formula: see text]-amino-1,3-dicarbonyl compounds can act as precursors for the production of [Formula: see text]-amino acids via hydrolysis of the ethyl ester group as well as building blocks for the synthesis of novel compounds with the 1,2,3-triazole ring. The [Formula: see text]-amino acid derivatives of the Ugi flow chemistry reaction products were then used for dipeptide synthesis.

Note: High-power piezoelectric transformer fabricated with ternary relaxor ferroelectric Pb(Mg(1/3)Nb(2/3))O3-Pb(In(1/2)Nb(1/2))O3-PbTiO3 single crystal.

Science.gov (United States)

Wang, Qing; Ma, Chuanguo; Wang, Feifei; Liu, Bao; Chen, Jianwei; Luo, Haosu; Wang, Tao; Shi, Wangzhou

2016-03-01

A plate-shaped piezoelectric transformer was designed and fabricated using ternary relaxor ferroelectric single crystal Pb(Mg(1/3)Nb(2/3))O3-Pb(In(1/2)Nb(1/2))O3-PbTiO3. Both the input and output sections utilized the transverse-extensional vibration mode. The frequency and load dependences of the electrical properties for the proposed transformer were systematically studied. Results indicated that under a matching load resistance of 14.9 kΩ, a maximum output power of 2.56 W was obtained with the temperature rise less than 5 °C. The corresponding power density reached up to 50 W/cm(3). This ternary single-crystal transformer had potential applications in compact-size converters requiring high power density.

The Effect of Zn-Al-Hydrotalcites Composited with Calcium Stearate and β-Diketone on the Thermal Stability of PVC

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Runjuan Wen

2011-03-01

Full Text Available A clean-route synthesis of Zn-Al-hydrotalcites (Zn-Al-LDHs using zinc oxide and sodium aluminate solution has been developed. The as-obtained materials were characterized by X-ray diffraction (XRD, Fourier transform infrared spectroscopy (FT-IR, and scanning electron microscopy (SEM. The effects of metal ions at different molar ratios on the performance of hydrotalcites were discussed. The results showed that the Zn-Al-hydrotalcites can be successfully synthesized at three different Zn/Al ratios of 3:1, 2:1 and 1:1. Thermal aging tests of polyvinyl chloride (PVC mixed with Zn-Al-LDHs, calcium stearate (CaSt2 and β-diketone were carried out in a thermal aging test box by observing the color change. The results showed that Zn-Al-LDHs can not only enhance the stability of PVC significantly due to the improved capacity of HCl-adsorption but also increase the initial stability and ensure good-initial coloring due to the presence of the Zn element. The effects of various amounts of Zn-Al-LDHs, CaSt2 and β-diketone on the thermal stability of PVC were discussed. The optimum composition was determined to be 0.1 g Zn-Al-LDHs, 0.15 g CaSt2 and 0.25 g β-diketone in 5 g PVC.

Antidepressant-like effect of the organoselenium compound ebselen in mice: evidence for the involvement of the monoaminergic system.

Science.gov (United States)

Posser, Thaís; Kaster, Manuella P; Baraúna, Sara Cristiane; Rocha, João B T; Rodrigues, Ana Lúcia S; Leal, Rodrigo B

2009-01-05

Ebselen [2-phenyl-1,2-benzisoselenazol-3(2H)-one] is a seleno-organic compound which possesses a potent antioxidant activity and has been shown to exert neuroprotective effects in vitro and in vivo in a variety of pro-oxidative insults. The present study investigates a possible antidepressant activity of ebselen using two predictive tests for antidepressant activity in rodents: the forced swimming test and tail suspension test. Additionally, the mechanisms involved in the antidepressant-like effect of ebselen in mice were also assessed. Ebselen (10 mg/kg, s.c.) decreased the immobility time in the forced swimming test without accompanying changes in ambulation in the open-field test. In contrast, the administration of ebselen (10-30 mg/kg) did not produce any effect in the tail suspension test. The anti-immobility effect of ebselen (10 mg/kg, s.c.) was not prevented by pre-treatment of mice with p-chlorophenylalanine (PCPA, 100 mg/kg, i.p., an inhibitor of serotonin synthesis, 4 consecutive days), NAN-190 (0.5 mg/kg, i.p., a serotonin 5-HT(1A) receptor antagonist) or ketanserin (5 mg/kg, i.p., a serotonin 5-HT(2A/2C) receptor antagonist). On the other hand, the pre-treatment of mice with prazosin (1 mg/kg, i.p., an alpha(1)-adrenoceptor antagonist), yohimbine (1 mg/kg, i.p., an alpha(2)-adrenoceptor antagonist), SCH23390 (0.05 mg/kg, s.c., a dopamine D(1) receptor antagonist) or sulpiride (50 mg/kg, i.p., a dopamine D(2) receptor antagonist) completely blocked the antidepressant-like effect of ebselen (10 mg/kg, s.c.) in the forced swimming test. It may be concluded that ebselen produces an antidepressant-like effect in the forced swimming test that seems to be dependent on its interaction with the noradrenergic and dopaminergic systems, but not with the serotonergic system.

Adsorption of basic chromium sulfate used in the tannery industries by calcined hydrotalcite

International Nuclear Information System (INIS)

Lopez M, B. E.; Rivera R, R.; Iturbe G, J. L.; Olguin G, M. T.

2011-01-01

The sorption behavior of the chemical species of Cr(III) from aqueous solutions by hydrotalcite calcined products was investigated considering the equilibrium ph (5.0 to 8.9) and the chromium concentration in aqueous solution (from 10.6 to 430.0 mmol/L) to obtain the corresponding isotherms. Each solution was prepared from basic Cr(III) sulphate which is a primary tanning agent used in the tannery industries. In this work no previous oxidation treatment was done to form Cr(vi) in order to remove the chromium from aqueous solutions by hydrotalcite. The amount of chromium in the remaining solutions after the sorption processes in a batch system by visible spectroscopy (Vis) was determined. The calcined hydrotalcite before and after the contact with the chromium(III) solutions by X-ray power diffraction, thermogravimetric analysis and Fourier transformed infrared spectroscopy, were characterized. The specific are by Brunauer, Emmett and Teller (Bet) method of each sample was also evaluated. It was found that under the experimental conditions of this work hydrolyzed species of Cr(III) are precipitated on the surface of the calcined hydrotalcite instead other adsorption mechanism, and the sulfate ions were the responsible to regenerated the crystalline structure of hydrotalcite, therefore the results are discussed in terms of both Cr(III) and sulfate chemical species. (Author)

Adsorption of basic chromium sulfate used in the tannery industries by calcined hydrotalcite

Energy Technology Data Exchange (ETDEWEB)

Lopez M, B. E.; Rivera R, R.; Iturbe G, J. L.; Olguin G, M. T., E-mail: beatriz.lopez@inin.gob.mx [ININ, Departamento de Quimica, Carretera Mexico-Toluca s/n, 52750 Ocoyoacac, Estado de Mexico (Mexico)

2011-07-01

The sorption behavior of the chemical species of Cr(III) from aqueous solutions by hydrotalcite calcined products was investigated considering the equilibrium ph (5.0 to 8.9) and the chromium concentration in aqueous solution (from 10.6 to 430.0 mmol/L) to obtain the corresponding isotherms. Each solution was prepared from basic Cr(III) sulphate which is a primary tanning agent used in the tannery industries. In this work no previous oxidation treatment was done to form Cr(vi) in order to remove the chromium from aqueous solutions by hydrotalcite. The amount of chromium in the remaining solutions after the sorption processes in a batch system by visible spectroscopy (Vis) was determined. The calcined hydrotalcite before and after the contact with the chromium(III) solutions by X-ray power diffraction, thermogravimetric analysis and Fourier transformed infrared spectroscopy, were characterized. The specific are by Brunauer, Emmett and Teller (Bet) method of each sample was also evaluated. It was found that under the experimental conditions of this work hydrolyzed species of Cr(III) are precipitated on the surface of the calcined hydrotalcite instead other adsorption mechanism, and the sulfate ions were the responsible to regenerated the crystalline structure of hydrotalcite, therefore the results are discussed in terms of both Cr(III) and sulfate chemical species. (Author)

Decaying shock studies of phase transitions in MgO-SiO2 systems: implications for the Super-Earths' interiors

Science.gov (United States)

Bolis, R.; Morard, G.; Vinci, T.; Ravasio, A.; Bambrink, E.; Guarguaglini, M.; Koenig, M.; Musella, R.; Françoise, R.; Bouchet, J.; Ozaki, N.; Miyanishi, K.; Sekine, T.; Sakawa, Y.; Sano, T.; Kodama, R.; Guyot, F. J.; Benuzzi, A.

2016-12-01

Mantles of telluric exoplanets, so-called Earth-like and Super-Earths, are expected to be mainly composed of different type of oxides, such as periclase (MgO), enstatite (MgSiO3) and forsterite (Mg2SiO4). Determining the phase diagrams, melting curves and liquid properties of these compounds under extreme pressure (0.2-1 TPa) is crucial to model the internal dynamic of these exoplanets, as the melting of mantle components controls planetary temperature profiles [6]. Experimentally, these planetary thermodynamic states can be achieved with laser-shock compression. Here we present laser-driven decaying shock experiments on MgO, MgSiO3 and Mg2SiO4 samples performed at LULI and GEKKO laser facilities, where we focused 1.2-2.5 ns laser pulses with an intensity between 3-8 1013 W/cm2 exploring pressures between 0.2 and 1 TPa and temperature between 5000 and 30000 K. We determined the thermodynamic states using rear side optical diagnostics. We observed a single transition for MgO associated to melting (at 0.47 TPa ± 0.04 and 9863 ± 812 K) and no evidence of a liquid-liquid transition, dissociation or melting for all the other compounds in the range 150-500 Gpa and 200-800 Gpa respectively for MgSiO3 and Mg2SiO4. Some implications are presented comparing our data experimental and theoretical data found in literature [1, 2, 3, 4, 5]. In particular these results represent a key input to solve the controversy on a possible MgSiO3 liquid-liquid phase transition. Moreover we propose a revision of the phase diagram of MgO, with a lower melting line which results in a lower temperature profile for super-Earths. Finally our data evidence the presence of a poor electrically conducting liquid in the phase diagram of all the studied material, with implications for the modelling of magnetic field generation via dynamo mechanism.[1] McWilliams et al., Science 338 (2012): 1330-1333. [2] Spaulding et al., Physical Review Letters108 (2012): 065701. [3] Root et al., Physical Review

Effect of Isomorphous Substitution on the Thermal Decomposition Mechanism of Hydrotalcites

Directory of Open Access Journals (Sweden)

Sergio Crosby

2014-10-01

Full Text Available Hydrotalcites have many important applications in catalysis, wastewater treatment, gene delivery and polymer stabilization, all depending on preparation history and treatment scenarios. In catalysis and polymer stabilization, thermal decomposition is of great importance. Hydrotalcites form easily with atmospheric carbon dioxide and often interfere with the study of other anion containing systems, particularly if formed at room temperature. The dehydroxylation and decomposition of carbonate occurs simultaneously, making it difficult to distinguish the dehydroxylation mechanisms directly. To date, the majority of work on understanding the decomposition mechanism has utilized hydrotalcite precipitated at room temperature. In this study, evolved gas analysis combined with thermal analysis has been used to show that CO2 contamination is problematic in materials being formed at RT that are poorly crystalline. This has led to some dispute as to the nature of the dehydroxylation mechanism. In this paper, data for the thermal decomposition of the chloride form of hydrotalcite are reported. In addition, carbonate-free hydrotalcites have been synthesized with different charge densities and at different growth temperatures. This combination of parameters has allowed a better understanding of the mechanism of dehydroxylation and the role that isomorphous substitution plays in these mechanisms to be delineated. In addition, the effect of anion type on thermal stability is also reported. A stepwise dehydroxylation model is proposed that is mediated by the level of aluminum substitution.

Effects of Bi(Zn2/3Nb1/3)O3 Modification on the Relaxor Behavior and Piezoelectricity of Pb(Mg1/3Nb2/3)O3-PbTiO3 Ceramics.

Science.gov (United States)

Liu, Zenghui; Wu, Hua; Paterson, Alisa; Ren, Wei; Ye, Zuo-Guang

2017-10-01

Relaxor lead magnesium niobate (PMN)-based materials exhibit complex structures and unusual properties that have been puzzling researchers for decades. In this paper, a new ternary solid solution of Pb(Mg 1/3 Nb 2/3 )O 3 -PbTiO 3 -Bi(Zn 2/3 Nb 1/3 )O 3 (PMN-PT-BZN) is prepared in the form of ceramics, and the effects of the incorporation of BZN into the PMN-PT binary system are investigated. The crystal structure favors a pseudocubic symmetry and the relaxor properties are enhanced as the concentration of BZN increases. The relaxor behavior and the related phase transformations are studied by dielectric spectroscopy. A phase diagram mapping out the characteristic temperatures and various states is established. Interestingly, the piezoelectricity of the PMN-PT ceramics is significantly enhanced by the BZN substitution, with an optimal value of d 33 reaching 826 pC/N for 0.96[0.7Pb(Mg 1/3 Nb 2/3 )O 3 -0.3PbTiO 3 ]-0.04Bi(Zn 2/3 Nb 1/3 )O 3 . This paper provides a better understanding of the relaxor ferroelectric behavior, and unveils a new relaxor-based ternary system as piezoelectric materials potentially useful for electromechanical transducer applications.

DFT study of adsorption behavior of NO, CO, NO2, and NH3 molecules on graphene-like BC3: A search for highly sensitive molecular sensor

Science.gov (United States)

Mehdi Aghaei, Sadegh; Monshi, M. M.; Torres, I.; Zeidi, S. M. J.; Calizo, I.

2018-01-01

The adsorption behaviors of toxic gas molecules (NO, CO, NO2, and NH3) on the graphene-like boron carbide (BC3) are investigated using first-principle density functional theory. The graphene-like BC3 monolayer is a semiconductor with a band gap of 0.733 eV. It is discovered that all the above gas molecules are chemisorbed on the BC3 sheet while they retain their molecular forms. It is also revealed that the NO2 gas molecule could be dissociated into NO and O species through the adsorption process. The amounts of charge transfer upon adsorption of CO and NH3 gas molecules on the BC3 are found to be small. The band gap changes in BC3 as a result of interactions with CO and NH3 are only 4.63% and 16.7%, indicating that the BC3-based sensor has a low and moderate sensitivity to CO and NH3, respectively. Contrariwise, upon adsorption of NO or NO2 on the BC3, significant charges are transferred from the molecules to the BC3 sheet, causing a semiconductor-metal and semiconductor-p type semiconductor transition. Our study suggests that the BC3-based sensor has a high potential for NO and NO2 detection due to the significant conductance changes, moderate adsorption energy, and short recovery time. More excitingly, the BC3 is a likely catalyst for dissociation of the NO2 gas molecule.

Preparation and fluorescence properties of 6-carboxyfluorescein/hydrotalcite nanocomposites

International Nuclear Information System (INIS)

Li, Chunfang; Qi, Yanhai; Li, Qianru; Li, Dongxiang; Hou, Wanguo

2014-01-01

The nanocomposites of fluorescent dye/hydrotalcite-like compounds (HTlc) synthesized by intercalation and/or surface adsorption methods have exhibited specific photophysical and photochemical property. In this work, 6-carboxyfluorescein (6CF)/HTlc nanocomposites were synthesized by ammonia coprecipitation and reconstruction-induced surface adsorption methods, and they were characterized by powder X-ray powder diffraction (XRD), scanning electron microscopy (SEM), Thermogravimetric differential thermal measurements (TG-DTA) and fluorescence spectra. The results demonstrate that the dye molecules are primarily adsorbed on HTlc surface. The fluorescence emission of 6CF/Mg–Al HTlc composites is related with 6CF dosage due to the self-quenching mechanism. The 6CF/Zn–Al HTlc nanocomposite reconstructed at high temperature have much strong luminescence than that reconstructed at room temperature and the 6CF/Mg–Al HTlc nanocomposites. -- Highlights: • Fluorescent 6-carboxyfluorescein/HTlc nanocomposites were synthesized. • Fluorescent dye molecules are primarily adsorbed on HTlc surface. • Nanocomposite luminescence is related with the cluster structure of fluorescent dyes

The effects of Fe2O3 nanoparticles on MgB2 superconducting thin films

International Nuclear Information System (INIS)

Koparan, E.T.; Sidorenko, A.; Yanmaz, E.

2013-01-01

Full text: Since the discovery of superconductivity in binary MgB 2 compounds, extensive studies have been carried out because of its excellent properties for technological applications, such as high transition temperature (T c = 39 K), high upper critical field (H c2 ), high critical current density (J c ). Thin films are important for fundamental research as well as technological applications of any functional materials. Technological applications primarily depend on critical current density. The strong field dependence of J c for MgB 2 necessitates an enhancement in flux pinning performance in order to improve values in high magnetic fields. An effective way to improve the flux pinning is to introduce flux pinning centers into MgB 2 through a dopant having size comparable to the coherence length of MgB 2 . In this study, MgB 2 film with a thickness of about 600 nm was deposited on the MgO (100) single crystal substrate using a 'two-step' synthesis technique. Firstly, deposition of boron thin film was carried out by rf magnetron sputtering on MgO substrates and followed by a post deposition annealing at 850 degrees Celsius in magnesium vapour. In order to investigate the effect of Fe 2 O 3 nanoparticles on the structural and magnetic properties of films, MgB 2 films were coated with different concentrations of Fe 2 O 3 nanoparticles by a spin coating process. The effects of different concentrations of ferromagnetic Fe 2 O 3 nanoparticles on superconducting properties of obtained films were carried out by using structural (XRD, SEM, AFM), electrical (R-T) and magnetization (M-H, M-T and AC Susceptibility) measurements. It was calculated that anisotropic coefficient was about γ = 1.2 and coherence length of 5 nm for the uncoated film. As a result of coherence length, the appropriate diameters of Fe 2 O 3 nanoparticles were found to be 10 nm, indicating that these nanoparticles served as the pinning centers. Based on the data obtained from this study, it can be

Composition driven monolayer to bilayer transformation in a surfactant intercalated Mg-Al layered double hydroxide.

Science.gov (United States)

Naik, Vikrant V; Chalasani, Rajesh; Vasudevan, S

2011-03-15

The structure and organization of dodecyl sulfate (DDS) surfactant chains intercalated in an Mg-Al layered double hydroxide (LDH), Mg(1-x)Alx(OH)2, with differing Al/Mg ratios has been investigated. The Mg-Al LDHs can be prepared over a range of compositions with x varying from 0.167 to 0.37 and therefore provides a simple system to study how the organization of the alkyl chains of the intercalated DDS anions change with packing density; the Al/Mg ratio or x providing a convenient handle to do so. Powder X-ray diffraction measurements showed that at high packing densities (x ≥ 0.3) the alkyl chains of the intercalated dodecyl sulfate ions are anchored on opposing LDH sheets and arranged as bilayers with an interlayer spacing of ∼27 Å. At lower packing densities (x flat in the galleries with an interlayer spacing of ∼8 Å. For the in between compositions, 0.2 ≤ x organization of the chains and the interlayer spacing. The simulations are able to reproduce the composition driven monolayer to bilayer transformation in the arrangement of the intercalated surfactant chains and in addition provide insights into the factors that decide the arrangement of the surfactant chains in the two situations. In the bilayer arrangement, it is the dispersive van der Waals interactions between chains in opposing layers of the anchored bilayer that is responsible for the cohesive energy of the solid whereas at lower packing densities, where a monolayer arrangement is favored, Coulomb interactions between the positively charged Mg-Al LDH sheets and the negatively charged headgroup of the DDS anion dominate.

Propane-1,3-diammonium bis[aquachlorido(4-hydroxypyridine-2,6-dicarboxylato-κ3O2,N,O6mercurate(II] tetrahydrate

Directory of Open Access Journals (Sweden)

Hossein Aghabozorg

2008-08-01

Full Text Available The reaction of mercury(II chloride dihydrate, propane-1,3-diamine and 4-hydroxypyridine-2,6-dicarboxylic acid in a 1:1:1 molar ratio in aqueous solution, resulted in the formation of the title compound, (C3H12N2[Hg(C7H3NO5Cl(H2O]2·4H2O or (pnH2[Hg(hypydcCl(H2O]2·4H2O (where pn is propane-1,3-diamine and hypydcH2 is 4-hydroxypyridine-2,6-dicarboxylic acid. The metal atom is coordinated by one chloride group, one water molecule cis to the chloride ligand and one (hypydc2− ligand. The coordinated water molecule is almost perpendicular to the plane of the aromatic ring of (hypydc2−. The geometry of the resulting HgClNO3 coordination can be described as distorted square-pyramidal. This structure also contains propane-1,3-diammonium (site symmetry 2 as a counter-ion and four uncoordinated water molecules. There is a wide range of non-covalent interactions consisting of hydrogen bonding [of the types O—H...O, N—H...O and C—H...O, with D...A ranging from 2.548 (5 to 3.393 (6 Å] and ion pairing.

Pinning in high performance MgB{sub 2} thin films and bulks: Role of Mg-B-O nano-scale inhomogeneities

Energy Technology Data Exchange (ETDEWEB)

Prikhna, Tatiana, E-mail: prikhna@mail.ru [Institute for Superhard Materials of the National Academy of Sciences of Ukraine , 2, Avtozavodskaya Str. , Kiev 07074 (Ukraine); Shapovalov, Andrey [Institute for Superhard Materials of the National Academy of Sciences of Ukraine , 2, Avtozavodskaya Str. , Kiev 07074 (Ukraine); Eisterer, Michael [Atominstitut, Vienna University of Technology, Stadionallee 2, 1020 Vienna (Austria); Shaternik, Vladimir [G.V. Kurdyumov Institute for Metal Physics of the National Academy of Sciences of Ukraine, 36 Academician Vernadsky blvd., Kiev, 03680 (Ukraine); Goldacker, Wilfried [Karlsruhe Institute of Technology (KIT), 76344 Eggenstein (Germany); Weber, Harald W. [Atominstitut, Vienna University of Technology, Stadionallee 2, 1020 Vienna (Austria); Moshchil, Viktor; Kozyrev, Artem; Sverdun, Vladimir [Institute for Superhard Materials of the National Academy of Sciences of Ukraine , 2, Avtozavodskaya Str. , Kiev 07074 (Ukraine); Boutko, Viktor [Donetsk Institute for Physics and Engineering named after O.O. Galkin of the National Academy of Sciences of Ukraine, R. Luxemburg str.72, Donetsk-114, 83114 (Ukraine); Grechnev, Gennadiy [B. Verkin Institute for Low Temperature Physics of the National Academy of Sciences of Ukraine, 47, Prospekt Nauky, Kharkiv 61103 (Ukraine); Gusev, Alexandr [Donetsk Institute for Physics and Engineering named after O.O. Galkin of the National Academy of Sciences of Ukraine, R. Luxemburg str.72, Donetsk-114, 83114 (Ukraine); Kovylaev, Valeriy; Shaternik, Anton [Institute for Superhard Materials of the National Academy of Sciences of Ukraine , 2, Avtozavodskaya Str. , Kiev 07074 (Ukraine)

2017-02-15

Highlights: • Pinning in MgB{sub 2} depends on the Mg-B-O nano-scaled inhomogeneities. • Finer oxygen-enriched inhomogeneities is the reason of the higher J{sub c} in MgB{sub 2} thin films as compared to bulk. • The results of DOS calculations for MgB{sub 2-x}O{sub x} compounds demonstrate that they have metal-like behavior. • Ordered oxygen distribution in MgB{sub 2} (in pairs or zigzags) reduces binding energy. - Abstract: The comparison of nano-crystalline MgB{sub 2} oxygen-containing thin film (140 nm) and highly dense bulk materials showed that the critical current density, J{sub c}, depends on the distribution of Mg-B-O nano-scale inhomogeneities. It has been shown that MgB{sub 2} bulks with high J{sub c} in low (∼10{sup 6} A/cm{sup 2} in 0-1 T at 10 K) and medium magnetic fields contain MgB{sub 0.6-0.8}O{sub 0.8-0.9} nano-inclusions, where δT{sub c} or a combined δT{sub c} (dominant) / δ{sub l} pinning mechanism prevails, while in bulk MgB{sub 2} with high J{sub c} in high magnetic fields (B{sub irr}(18.5 K) = 15 T, B{sub c2}(0 K) = 42.1 T) MgB{sub 1.2-2.7}O{sub 1.8-2.5} nano-layers are present and δ{sub l} pinning prevails. The structure of oxygen-containing films with high J{sub c} in low and high magnetic fields (J{sub c} (0 T) = 1.8 × 10{sup 7} A/cm{sup 2} and J{sub c} (5 T) = 2 × 10{sup 6} A/cm{sup 2} at 10 K) contains very fine oxygen-enriched Mg-B-O inhomogeneities and δ{sub l} pinning is realized. The results of DOS calculations in MgB{sub 2-x}O{sub x} cells for x = 0, 0.125, 0.25, 0.5, 1 demonstrate that all compounds are conductors with metal-like behaviour. In the case of ordered oxygen substitution for boron the binding energy, E{sub b}, does not increase sufficiently as compared with that for MgB{sub 2}, while when oxygen atoms form zigzag chains the calculated E{sub b} is even lower (E{sub b} = −1.15712 Ry).

The Influence of Compound Shougong Powder on JAK2-STAT3 Signaling Pathway in Mice with Lewis Lung Cancer

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SHEN Di

2014-12-01

Full Text Available Objective: To observe the influence of Compound Shougong Powder on JAK2-STAT3 signaling pathway in mice with Lewis lung cancer. Methods: Fifty C57BL/6J mice were inoculated with Lewis lung cancer cell line according to the conventional method, 40 mice bearing cancer successfully were selected 6 d later and randomly divided into 5groups, namely negative control group, cis-platinum group, high-dose Compound Shougong Powder group, middle-dose Compound Shougong Powder group and low-dose Compound Shougong Powder group, 8 mice in each group. Negative control group was drenched with normal saline (NS. Compound Shougong Powder groups were drenched with Compound Shougong Powder, 4 mg/kg for high-dose group, 2 mg/kg for middle-dose group, 1 mg/kg for low-dose group, once per day for 14 d; cis-platinum group was orally administrated 4 mg/kg/w, intraperitoneal injection of 0.1 mL for each, once per week for 2 weeks. Mice’s responses to the treatment, activity levels, mental states and so on during the treatment were observed, tumor inhibition rate was calculated, pathomorphological changes of tumor tissues were observed under light microscope after HE staining, and the expression levels of JAK2 and STAT3 proteins were detected by Western Blot. Results: After drug administration, smooth, glossy body hair and good spirit were observed in cisplatin group and high-dose Compound Shougong Powder group; glossier body hair and less activity level in middle- and low- dose Compound Shougong Powder group, and great toxic and side effects, reduced activity level and weary spirit in negative control group. The tumor inhibition rate of cisplatin group, high-, middle- and low-dose Compound Shougong Powder group and negative control group was 57.69%, 53.53%, 48.40%, 38.46% and 38.46%, respectively. The expression levels of JAK2 and STAT3 proteins in drug groups showed decreases to different degrees, and the decreases of JAK2 were more significant. Conclusion: Compound

Raman spectra of MgSiO3 . 10% Al2O3-perovskite at various pressures and temperatures

International Nuclear Information System (INIS)

Liu Lingun; Irifune, T.

1995-01-01

Variations of Raman spectra of MgSiO 3 . 10% Al 2 O 3 -perovskite were investigated up to about 270 kbar at room temperature and in the range 108-425 K at atmospheric pressure. Like MgSiO 3 -perovskite, the Raman frequencies of MgSiO 3 . 10% Al 2 O 3 -perovskite increase nonlinearly with increasing pressure and decrease linearly with increasing temperature within the experimental uncertainties and the range investigated. A comparison of these data with those of MgSiO 3 -perovskite suggests that MgSiO 3 . 10% Al 2 O 3 -perovskite is slightly more compressible than MgSiO 3 -perovskite, and that the volume thermal expansion for MgSiO 3 . 10% Al 2 O 3 -perovskite is also slightly greater than that for MgSiO 3 -perovskite. (orig.)

Ab initio study of MgH2 formation

International Nuclear Information System (INIS)

Novakovic, Nikola; Matovic, Ljiljana; Novakovic, Jasmina Grbovic; Manasijevic, Miodrag; Ivanovic, Nenad

2009-01-01

Even if there is considerable literature dealing with structure and properties of MgH 2 compound there are still some uncertain details about nature of bonding governing its formation and decomposition. In order to better understand the processes essential for absorption and desorption of MgH 2 , ab initio DFT based calculations of rutile MgH 2 compound, elemental hcp-Mg, and three different hypothetical hcp-Mg-derived hydrides are performed. Our findings show that all structures are unstable, and that MgH (Wurtzite) is a closest possible candidate for intermediate phase between the hcp-Mg and MgH 2 at 1:1 stoichiometry. An alternative hydration pathway is suggested, including promotion of hcp-Mg to bcc-Mg and consecutive transformation to rutile MgH 2 by means of hydrogen incorporation into Mg matrix. Rutile MgH 2 calculations with various hydrogen vacancies concentration are performed. Calculation shows that at high hydrogen concentration close to 1:2, stable substoichiometric hydride is possible. Calculation also shows that high vacancy (low hydrogen) concentration favors bcc-Mg 2 H over rutile Mg 2 H structure.

Photon stimulated desorption investigations of positive ions of MgO, TiO2, Yb2O3, Nd2O3, H2O/Si(100), CaF2/Si and of H2O, CO and NO on Yb and Nd in the energy range 14 eV up to 800 eV

International Nuclear Information System (INIS)

Senf, F.

1987-01-01

Photon-stimulated desorption of positive ions from surfaces has been studied with synchrotron radiation in the photon energy range 14 -800 eV of the 'FLIPPER'-monochromator using a time-of-flight mass spectrometer. TiO 2 , as a prototype of a maximal valency ionic compound, shows a strong desorption of O +- in the photon energy range of the Ti 3 p → 3d- and Ti 2p → 3d-resonance as well as at the 0 1s-excitation due to intraatomic respectively intraatomic Auger decays, which is in agreement with the Knotek-Feibelman model. The desorption of F + from CaF 2 -covered silicon is found to follow the respective excitation and decay processes in Ca and F. In addition, the very large cross section for the F + desorption causes a radiation damage by photons of more than about 30 eV. The adsorbate system H 2 O/Si (100) needs a multiple electron excitation to show a significant desorption setting in only 30 eV above the 0 1s threshold. The rare earth metals Yb and Nd covered with O 2 , H 2 O, CO or NO exhibit a competitive desorption of O + partly due to intraatomic Auger decays caused by single electron excitations and partly due to multiple electron excitations. The variation of the 0 + yield with regard to the different adsorbates on Yb and Nd is unexpectedly low. A detailed investigation was concerned with thin oxidized Mg-films and differently prepared MgO-single-crystals. Here we found a very efficient desorption of O + and H + resulting from the excitation of O 1s-surface-excitons. In addition, the strong hole-hole-interaction energy of crystalline MgO appears to be responsible for a suppressed O + -signal in the energy range of the Mg 2p-excitation. (orig./BHO)

Emulsion-phase synthesis of honeycomb-like Mg{sub 5}(OH){sub 2}(CO{sub 3}){sub 4}.4H{sub 2}O micro-spheres and subsequent decomposition to MgO

Energy Technology Data Exchange (ETDEWEB)

Gao Guo, E-mail: gaogaoguoguo@yahoo.com.c [Department of Bio-Nano-Science and Engineering, National Key Laboratory of Nano/Micro Fabrication Technology, Key Laboratory for Thin Film and Microfabrication of Ministry of Education, Institute of Micro-Nano Science and Technology, Shanghai Jiao Tong University, Shanghai 200240 (China); Beijing Key Laboratory of Green Reaction Engineering and Technology, Department of Chemical Engineering, Tsinghua University, Beijing 100084 (China); Xiang Lan, E-mail: xianglan@mail.tsinghua.edu.c [Beijing Key Laboratory of Green Reaction Engineering and Technology, Department of Chemical Engineering, Tsinghua University, Beijing 100084 (China)

2010-04-09

Herein we report a simple emulsion-phase route for the synthesis of honeycomb-like basic magnesium carbonate (BMC, Mg{sub 5}(OH){sub 2}(CO{sub 3}){sub 4}.4H{sub 2}O) micro-spheres at 80 {sup o}C. Magnesium(II) salts in water are precipitated by sodium carbonate in the presence of cetyltrimethylammonium bromide (CTAB). Scanning electron microscopy shows the obtained BMC samples are composed of a lot of micro-spheres (diameter ranging from 8 to 10 {mu}m) which are interweaved by a lot of nano-sized thin sheets (thickness of 20-30 nm and length >1 {mu}m). The BMC micro-spheres prepared by this approach are porous and appear to be hollow structures. The size and shape of BMC are related to the CTAB concentration and temperature. The lower concentration of CTAB resulted in the decrease of the micro-spheres sizes. When the temperature was elevated to 110 {sup o}C, hexagonal tablets (thickness of 20 nm, length of each side varies from 400 to 600 nm) can be prepared. After the calcinations for BMC at 600 {sup o}C for 2 h, BMC are almost completely converted to MgO. Transmission electron microscopy indicates that the obtained MgO samples have a poly-crystalline feature. The possible formation mechanism of BMC micro-spheres has been discussed.

Electrical transport in low-lead (1-x)BaTiO3–xPbMg1/3Nb2/3O3 ceramics

Institute of Scientific and Technical Information of China (English)

J. SUCHANICZ; K. KONIECZNY; K. ŚWIERCZEK; M. LIPIŃSKI; M. KARPIERZ; D. SITKO; H. CZTERNASTEK; K. KLUCZEWSKA

2017-01-01

Low-lead (1-x)BaTiO3–xPbMg1/3Nb2/3O3 ceramics (x = 0, 0.025, 0.05, 0.075, 0.1, and 0.15) were prepared by the conventional oxide mixed sintering process, and their optical band gap, Seebeck coefficient, ac ( σac ) and dc ( σdc ) conductivities as a function of temperature were investigated for the first time. It was found that all samples have p-type conductivity. The low-frequency (20 Hz–2 MHz) ac conductivity obeys a power law σac ~ ωs , which is characteristic for disordered materials. The frequency exponent s is a decreasing function of temperature and tends to zero at high temperature. σac is proportional to ω0.07 – ω0.31 in the low-frequency region and to ω0.51 – ω0.98 in the high-temperature region. The temperature dependence of the dc conductivity showed a change in slope around the temperature at which the phase transition appeared. Both ac and dc conductivities showed a thermally activated character and possessed linear parts with different activation energies and some irregular changes. It was found that the hopping charge carriers dominate at low temperature and small polarons and oxygen vacancies dominate at higher temperature. (1-x)BaTiO3–xPbMg1/3Nb2/3O3 ceramics are expected to be promising new candidate for low-lead electronic materials.

The antidepressant-like effect of 7-fluoro-1,3-diphenylisoquinoline-1-amine in the mouse forced swimming test is mediated by serotonergic and dopaminergic systems.

Science.gov (United States)

Pesarico, Ana Paula; Sampaio, Tuane Bazanella; Stangherlin, Eluza Curte; Mantovani, Anderson C; Zeni, Gilson; Nogueira, Cristina Wayne

2014-10-03

The aim of the present study was to investigate the role of monoaminergic system in the antidepressant-like action of 7-fluoro-1,3-diphenylisoquinoline-1-amine (FDPI), a derivative of isoquinoline class, in Swiss mice. The antidepressant-like effect of FDPI was characterized in the modified forced swimming test (FST) and the possible mechanism of action was investigated by using serotonergic, dopaminergic and noradrenergic antagonists. Monoamine oxidase (MAO) activity and [(3)H]serotonin (5-HT) uptake were determined in prefrontal cortices of mice. The results showed that FDPI (1, 10 and 20mg/kg, i.g.) reduced the immobility time and increased the swimming time but did not alter climbing time in the modified FST. These effects were similar to those of paroxetine (8mg/kg, i.p.), a positive control. Pretreatments with p-chlorophenylalanine (100mg/kg, i.p., an inhibitor of 5-HT synthesis), WAY100635 (0.1mg/kg, s.c., 5-HT1A antagonist), ondansetron (1mg/kg, i.p., a 5-HT3 receptor antagonist), haloperidol (0.2mg/kg, i.p., a non-selective D2 receptor antagonist) and SCH23390 (0.05mg/kg, s.c., a D1 receptor antagonist) were effective to block the antidepressant-like effect of FDPI at a dose of 1mg/kg in the FST. Ritanserin (1mg/kg, i.p., a 5-HT2A/2C receptor antagonist), sulpiride (50mg/kg, i.p., a D2 and D3 receptor antagonist), prazosin (1mg/kg, i.p., an α1 receptor antagonist), yohimbine (1mg/kg, i.p., an α2 receptor antagonist) and propranolol (2mg/kg, i.p., a β receptor antagonist) did not modify the effect of FDPI in the FST. FDPI did not change synaptosomal [(3)H]5-HT uptake. At doses of 10 and 20mg/kg FDPI inhibited MAO-A and MAO-B activities. These results suggest that antidepressant-like effect of FDPI is mediated mostly by serotonergic and dopaminergic systems. Copyright © 2014 Elsevier Inc. All rights reserved.

Low-Temperature Sintering Li3Mg1.8Ca0.2NbO6 Microwave Dielectric Ceramics with LMZBS Glass

Science.gov (United States)

Wang, Gang; Zhang, Huaiwu; Liu, Cheng; Su, Hua; Jia, Lijun; Li, Jie; Huang, Xin; Gan, Gongwen

2018-05-01

Li3Mg1.8Ca0.2NbO6 ceramics doped with Li2O-MgO-ZnO-B2O3-SiO2 glass (LMZBS) were prepared via a solid-state route. The LMZBS glass effectively reduced the sintering temperature of Li3Mg1.8Ca0.2NbO6 ceramics to 950°C. The effects of the LMZBS glass on the sintering behavior, microstructures and microwave dielectric properties of Li3Mg1.8Ca0.2NbO6 ceramics are discussed in detail. Among all the LMZBS doped Li3Mg1.8Ca0.2NbO6 ceramics, the sample with 1 wt.% of LMZBS glass sintered at 950°C for 4 h exhibited good dielectric properties: ɛ r = 16.7, Q × f = 31,000 GHz (9.92 GHz), τ f = - 1.3 ppm/°C. The Li3Mg1.8Ca0.2NbO6 ceramics possessed excellent chemical compatibility with Ag electrodes, and could be applied in low temperature co-fired ceramics (LTCC) applications.

Lanthanum-promoted copper-based hydrotalcites derived mixed oxides for NO{sub x} adsorption, soot combustion and simultaneous NO{sub x}-soot removal

Energy Technology Data Exchange (ETDEWEB)

Wang, Zhongpeng [School of Resources and Environment, University of Jinan, 106 Jiwei Road, Jinan 250022 (China); Inorganic Chemistry Laboratory, University of Oxford, South Parks Road, Oxford OX1 3QR (United Kingdom); Yan, Xiaotong; Bi, Xinlin; Wang, Liguo [School of Resources and Environment, University of Jinan, 106 Jiwei Road, Jinan 250022 (China); Zhang, Zhaoliang, E-mail: chm_zhangzl@ujn.edu.cn [School of Resources and Environment, University of Jinan, 106 Jiwei Road, Jinan 250022 (China); Jiang, Zheng; Xiao, Tiancun [Inorganic Chemistry Laboratory, University of Oxford, South Parks Road, Oxford OX1 3QR (United Kingdom); Umar, Ahmad [Department of Chemistry, College of Science and Arts, Najran University, P.O. Box 1988, Najran 11001 (Saudi Arabia); Promising Centre for Sensors and Electronic Devices (PCSED), Najran University, P.O. Box 1988, Najran 11001 (Saudi Arabia); Wang, Qiang, E-mail: qiang.wang.ox@gmail.com [College of Environmental Science and Engineering, Beijing Forestry University, 35 Tsinghua East Road, Beijing 100083 (China)

2014-03-01

Graphical abstract: - Highlights: • The addition of La in Cu-based oxides increased the types of active oxygen. • NO{sub x} adsorption, soot oxidation and simultaneous NO{sub x}-soot removal were enhanced. • The possible catalytic mechanism was studied via in situ FTIR analysis. • Soot oxidation was promoted by the NO{sub 2} intermediate. - Abstract: La-promoted Cu-based hydrotalcites derived mixed oxides were prepared and their catalytic activities for NO{sub x} adsorption, soot oxidation, and simultaneous NO{sub x}-soot removal were investigated. The catalysts were characterized by XRD, DTG, BET, FTIR, H2-TPR, TPD and TPO techniques. The oxides catalysts exhibited mesoporous properties with specific surface area of 45–160 m{sup 2}/g. The incorporation of La and Cu decreased the amount of basic sites due to the large decrease in surface areas. Under O{sub 2} atmosphere, La incorporation is dominant for soot oxidation activity, while Cu favors high selectivity to CO{sub 2} formation. A synergetic effect between La and Cu for catalyzed soot oxidation lies in the improved redox property and suitable basicity. The presence of NO in O{sub 2} significantly promoted soot oxidation on the catalysts with the ignition temperature decreased to about 300 °C. In O{sub 2}/NO atmosphere, NO{sub 2} acts as an intermediate which oxidizes soot to CO{sub 2} at a lower temperature with itself reduced to NO or N{sub 2}, contributing to the high catalytic performance in simultaneous removal of NO{sub x} and soot.