Preparation and characterization of stable aqueous suspensions of up-converting Er3+/Yb3+-doped LiNbO3 nanocrystals

The preparation of LiNbO₃:Er³⁺/Yb³⁺ nanocrystals and their up-conversion properties have been studied. It is demonstrated that polyethyleneimine- (PEI) assisted dispersion procedures allow obtaining stable aqueous LiNbO₃:Er³⁺/Yb³⁺ powder suspensions, with average size particles well below the micron range (100–200 nm) and the isoelectric point of the suspension reaching values well above pH 7. After excitation of Yb³⁺ ions at a wavelength of 980 nm, the suspensions exhibit efficient, and stable, IR-to-visible (green and red) up-conversion properties, easily observed by the naked eye, very similar to those of the starting crystalline bulk material.     

Ion-exchange properties of P2-NaxMnO2: evidence of the retention of the layer structure based on chemical reactivity data and electrochemical measurements of lithium cells

The ion-exchange properties of two P2-type layered Na_xMnO₂ bronzes (x=0.6, 0.75) with a differential microstructure were studied in LiCF₃SO₃ solutions in acetonitrile under ambient conditions. Na⁺ ions are readily exchanged with Li⁺, but the reaction causes a significant loss of crystallinity that results in some amorphization. The feasibility of the process increases with increasing structural disorder in the parent compound; conversion, however, is incomplete. The ability of the exchanged material to intercalate water in the air is consistent with the formation of an Li-Mn-O compound that retains the layered framework. Also, the electrochemical data obtained for this material as cathode in lithium cells are consistent with retention of the layer structure and exclude a potential spinel transition due to the ion-exchange reaction. However, the cycling properties of cells made from these layered compounds are quite modest, probably because of the strong structural disorder induced by the lithium reaction.     

Molecular mechanics calculation on the hydroxyl stretching frequency in saturated alcohols Part II. Cyclohexanols

The applicability of a previously developed MM2/CNDO model, based on five saturated alcohols, for the calculation of ν_OH gas frequencies has been tested for the rotamers of several cyclohexanols in both the equatorial and the axial conformation. Experimental ν_OH values are assigned to the various OH rotamers present. Reasonable agreement is achieved between calculated and experimental data for ν_OH frequencies and rotamer populations. The decrease of the observed ν_OH frequencies upon substitution of an -hydrogen vicinal to the OH proton by a methyl group, is properly described in the MM2/CNDO scheme by the implemented electrostatic interactions between calculated CNDO/2 atomic charges. The shifts of ν_OH observed when the substitution concerns β-hydrogens are in general less well predicted. In order to improve these results an additional interaction is required.     

Identification of 11-Nor-delta9-tetrahydrocannabinol-9-carboxylic acid in urine by ion trap GC-MS-MS in the context of doping analysis

The purpose of this study is to develop a sensitive and specific alternative to current gas chromatography (GC)-mass spectrometry (MS) selected ion monitoring confirmation methods of 11-nor-delta9-tetrahydrocannabinol-9-carboxylic acid (cTHC) in human urine samples, in the context of doping analysis. An identification procedure based on the comparison, among suspicious and control samples, of the relative abundances of cTHC selected product ions obtained by GC-tandem MS in an ion trap is presented. The method complies with the identification criteria for qualitative assays established by sports authorities; the comparison procedure is precise, reproducible, specific, and sensitive, thus indicating that it is fit for the purpose of identification accordingly to World Antidoping Agency requirements.     

Synthesis and Characterization of Ethylene/Propylene Copolymers in the Whole Composition Range

Summary: The incorporation of comonomer molecules in the backbone of a homopolymer can influence the final properties of the material, decreasing its crystallinity and the melting and glass transition temperatures, and increasing its impact resistance and transparency. In the present work, ten ethylene/propylene copolymers have been synthesized using a supported metallocene catalytic system covering the whole composition range. Any desired composition was obtained by controlling the feed composition during the reaction. These synthesized copolymers have been characterized by different techniques in order to study the effect of the comonomer incorporation onto their final properties. When the comonomer content is low, the behaviour of the copolymer is similar to that of the corresponding homopolymer. Nevertheless, if the comonomer content increases, the copolymer becomes more amorphous (low crystallization temperature and soft XRD signals) and easily deformable, reaching a behaviour close to that corresponding to an elastomeric material. In order to corroborate these results the samples have been characterized by TREF and GPC-MALS. TREF analysis showed that copolymers containing less than 10% and more than 80% of ethylene are semicrystalline, with elution temperatures typical of this kind of polymers. Molecular weights are higher for homopolymers and they decrease as the comonomer concentration increases, whereas the polydispersity index keeps almost constant at the expected value for this kind of samples.