Search results for " INO"
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Valorisation of industrial iron oxide waste to produce magnetic barium hexaferrite
2016
Barium M-type hexagonal ferrite (BaM, BaFe12O19) is an immensely important magnetic material, which we have successfully made from the simple valorisation of Fe-rich industrial waste from steel wire drawing, with addition of BaCO3 and heating in air to 1000 degrees C. The optimum ratio of Fe. Ba (producing 86 wt% BaM) was found to be 11: 1 (non-stoichiometric), and secondary phases of alpha-Fe2O3 (non-magnetic) and ZnFe2O4 (poorly antiferromagnetic) were always present. This material consisted of small submicron platelets. A hard magnetic ferrite was produced with Ms=48.6 A m(2) kg(-1) and H-c=211.5 kA m(-1). The highest density was achieved by sintering samples with Fe: Ba ratios of 11: 1 …
The effect of the fused-ring substituent on anthracene chalcones: crystal structural and DFT studies of 1-(anthracen-9-yl)-3-(naphthalen-2-yl)prop-2-…
2018
Two new anthracene chalcones, namely 1-(anthracen-9-yl)-3-(naphthalen-2-yl)prop-2-en-1-one and 1-(anthracen-9-yl)-3-(pyren-1-yl)prop-2-en-1-one, have been successfully synthesized and the effect of the different fused ring substituent system attached to the anthracene chalcone derivative investigated. These compounds show a very narrow band gap due to the large p-conjugated systems, making them promising candidates as optoelectronic materials. Hirshfeld surface analysis has been carried out to show the contribution of intermolecular contacts and weak interactions to supramolecular stabilization.
Tin-DNA complexes investigated by nuclear inelastic scattering of synchrotron radiation
2005
Nuclear inelastic scattering (NIS) of synchrotron radiation has been used to investigate the dynamics of tin ions chelated by DNA. Theoretical NIS spectra have been simulated with the help of density functional theory (DFT) calculations using 12 models for different binding sites of the tin ion in (CH3)Sn(DNAPhosphate)2. The simulated spectra are compared with the measured spectrum of the tin-DNA complex.
Discrimination of nerve gases mimics and other organophosphorous derivatives in gas phase using a colorimetric probe array.
2012
A colorimetric array for the chromogenic discrimination of organophosphorous derivatives in gas phase has been developed. The array allows us to classify the nerve agent simulants DFP, DCP and DCNP.
A Boron Dipyrromethene (BODIPY)-Based Cu(II) -Bipyridine Complex for Highly Selective NO Detection.
2015
[EN] A BODIPY-containing Cu-II-bipyridine complex for the simple selective fluorogenic detection of NO in air and in live cells is reported. The detection mechanism is based on NO-promoted Cu-II to Cu-I reduction, followed by demetallation of the complex, which results in the clearly enhanced emission of the boron dipyrromethene (BODIPY) unit.
Aryl carbinols as nerve agent probes. Influence of the conjugation on the sensing properties
2012
Two new aryl carbinols (1 and 3) have been synthesised and characterised and their ability as OFF-ON probes for the chromogenic detection of the nerve agent simulant in acetonitrile has been tested. In addition compound 2 has been also studied. The carbinols suffered a phosphorylation reaction followed by an elimination process giving rise to the corresponding carbocations. This transformation of the carbinol into the carbocation is responsible for a significant color change. © The Royal Society of Chemistry and the Centre National de la Recherche Scientifique 2012.
Thermal behaviour and electrochemical properties of bis(trifluoromethanesulfonyl)amide and dodecatungstosilicate viologen dimers
2012
We report the synthesis and characterization of dimeric viologen salts (1',1''-(alkane-1,n-diyl)bis(1-ethyl-4,4'-bipyridinium) with n = 4-10) with bis(trifluoromethanesulfonyl)amide (bistriflimide, Tf(2)N(-)) as a counteranion. For n = 4, 5 and 6, and for the nonylviologen cation (1,1'-dinonyl-4,4'-bipyridinium) we also prepared salts with the totally inorganic dodecatungstosilicate anion, SiW(12)O(40)(4-), featuring a poly-charged surface and nanosized dimensions. The materials have been characterized by means of calorimetric techniques, X-ray diffraction and solid state NMR and a comparison is made with analogous monomeric viologen salts exhibiting smectic mesophases. A strong odd-even ef…
Adsorbed CO on group 10 metal fragments: A DFT study
2009
DFT calculations on the helicopter and cartwheel rotations of one CO molecule adsorbed at the bridge site on metal-surface fragments, characterized by two (M(8)) or three (M(14)) metal-atom layers (M = Ni, Pd, Pt) were performed by the B3LYP[LANL2DZ+6-31 g(d,p)] method, to rationalize the adsorption energetics and the steric hindrance characteristics of surface CO molecules. Potential Energy Surfaces were obtained, either fixing the C-O bond-length or allowing it to change. The behavior of the three metals, as obtained from the study of the configurational space characterizing the CO adsorption on the fragments was explained on the basis of the interaction energies involved in the different…
Semiempirical calculations on the interaction between dimethyltin(IV) and DNA model system
1999
Abstract The interaction between a dinucleotide triphosphate duplex (DD), mimicking the DNA molecule, and the dimethyltin(IV) cation is studied by the semiempirical PM3 method. The results show that the interaction can occur involving the tin atom and the electron-donor centres of DD, requiring in some cases the presence of water molecules. In particular, the binding of the dimethyltin(IV) moiety with two adjacent phosphate oxygen atoms is allowed by the presence of water molecules coordinating to the tin atom. In this case the tin environment shows a geometry in agreement with 119 Sn Mossbauer and X-ray data.
MWCNTs-Supported Pd(II) Complexes with High Catalytic Efficiency in Oxygen Reduction Reaction in Alkaline Media
2018
We report here the remarkable catalytic efficiency observed for two Pd(II) azamacrocyclic complexes supported on multiwalled carbon nanotubes (MWCNTs) toward oxygen reduction reactions. Beyond a main (90%) 4e