Determination of tetramethylthiuram disulfide (thiram) for residual analysis in food using spectrophotometry coupled with a solid-phase reactor (SPR) in a flow system

Fundação de Amparo à Pesquisa do Estado de São Paulo (FAPESP)

Cytoxicity and Apoptotic Mechanism of Ruthenium(II) Amino Acid Complexes in Sarcoma-180 Tumor Cells

Fundação de Amparo à Pesquisa do Estado de São Paulo (FAPESP)

Síntese, caracterização e estudo termoanalítico dos nicotinatos de alguns metais de transição bivalentes no estado sólido

Pós-graduação em Química - IQ

Estudo de nanocompósitos luminescentes baseados em complexos de Eu(III) e Ir(III) ancorados à nanopartículas de sílica por bases de Schiff

Coordenação de Aperfeiçoamento de Pessoal de Nível Superior (CAPES)

Nanozeólitas como suportes sólidos para imobilização enzimática: Síntese, caracterização de complexos nanozeólitas/enzimas e sua aplicação como catalisadores heterogêneos para produção de biodiesel via rota etílica

Fundação de Amparo à Pesquisa do Estado de São Paulo (FAPESP)

The role of oxygen vacancies and their location in the magnetic properties of Ce1-xCuxO2-delta nanorods

Conselho Nacional de Desenvolvimento Científico e Tecnológico (CNPq)

Correlation between i.r. spectra and thermal decomposition of cobalt(II), nickel(II), copper(II) and mercury(II) complexes with piperidinedithiocarbamate and pyrrolidinedithiocarbamate

The thermal decomposition of pyrrolidinedithiocarbamate and piperidinedithiocarbamate complexes of CoII, NiII, CuII and HgII have been studied by thermogravimetry and differential scanning calorimetry. The decomposition intermediates and final products were identified by their X-ray diffraction patterns. The i.r. spectra are discussed in terms of the thermal decomposition pathways.

Síntese e caracterização de materiais semicondutores nanoestruturados luminescentes à base de ZnS

Conselho Nacional de Desenvolvimento Científico e Tecnológico (CNPq)

Estudos experimentais e teórico-computacionais de novos complexos nanozeólitas-enzimas empregados na produção de biocombustíveis

Conselho Nacional de Desenvolvimento Científico e Tecnológico (CNPq)

Structural and Magnetic Properties of Neodymium - Iron - Boron Clusters

Using inert gas condensation techniques the properties of sputtered neodymium-iron-born clusters were investigated. A D.C. magnetron sputtering source created vaporous Nd-Fe-B which was then condensed into clusters and deposited onto silicon substrates. A composite target of Nd-Fe-B discs on an iron plate and a composite target of Nd-(Fe-Co)-B were utilized to create clusters. The clusters were coated with a carbon layer through R.F. sputtering to prevent oxidation. Samples were investigated in the TEM and showed a size distribution with an average particle diameter of 8.11 nm. The clusters, upon deposition, were amorphous as indicated by diffuse diffraction patterns obtained through SAD. The EDS showed compositionally a direct correlation in the ratio of rare-earth to transition metals between the target and deposited samples. The magnetic properties of the as-deposited clusters showed superparamagnetic properties at high temperatures and ferromagnetic properties at low temperatures; these properties are indicative of rare-earth transition metal amorphous clusters. Annealing of samples showed an initial increase in the coercivity. Samples were annealed in an inert gas atmosphere at 600o C for increasing amounts of time. The samples showed an initial increase in coercivity, but showed no additional increases with additional annealing time. SAD of annealed cluster samples showed the presence of Nd2Fe17 and a bcc-Nd phase. The bcc-Nd is the result of oxidation at high temperatures created during annealing and surface interface energy. The magnetic properties of the annealed samples showed weak coercivity and a saturation magnetization equivalent to that of Nd2Fe17. The annealed clusters showed a slight increase in coercivity at low temperatures. These results indicate a loss of boron during the sputtering process.

Study of the oxygen vacancy influence on magnetic properties of Fe- and Co-doped SnO2 diluted alloys

Transition-metal (TM)-doped diluted magnetic oxides (DMOs) have attracted attention from both experimental and theoretical points of view due to their potential use in spintronics towards new nanostructured devices and new technologies. In the present work, we study the magnetic properties of Sn0.96TM0.04O2 and Sn0.96TM0.04O1.98(V (O))(0.02), where TM = Fe and Co, focusing in particular in the role played by the presence of O vacancies nearby the TM. The calculated total energy as a function of the total magnetic moment per cell shows a magnetic metastability, corresponding to a ground state, respectively, with 2 and 1 mu(B)/cell, for Fe and Co. Two metastable states, with 0 and 4 mu(B)/cell were found for Fe, and a single value, 3 mu(B)/cell, for Co. The spin-crossover energies (E (S)) were calculated. The values are E (S) (0/2) = 107 meV and E (S) (4/2) = 25 meV for Fe. For Co, E (S) (3/1) = 36 meV. By creating O vacancies close to the TM site, we show that the metastablity and E (S) change. For iron, a new state appears, and the state with zero magnetic moment disappears. The ground state is 4 mu(B)/cell instead of 2 mu(B)/cell, and the energy E (S) (2/4) is 30 meV. For cobalt, the ground state is then found with 3 mu(B)/cell and the metastable state with 1 mu(B)/cell. The spin-crossover energy E (S) (1/3) is 21 meV. Our results suggest that these materials may be used in devices for spintronic applications that require different magnetization states.

Chemical mechanism of controlled nitric oxide release from trans-[RuCl([15]aneN(4))NO](PF6)(2) as a vasorelaxant agent

The nitrosyl ruthenium complex, trans-[RuCl([15]aneN(4))NO](PF6)(2), ([15]aneN(4) = 1,4,8,12-tetraazacyclopentadecane), exhibits vasorelaxation characteristics attributed to its nitric oxide release properties. The observed in vitro and in vivo vasodilation is dependent on noradrenaline concentration. We report here the chemical mechanism of the reaction between noradrenaline and trans-[RuCl([15]aneN(4))NO](PF6)(2) in aqueous phosphate buffer solution at pH 7.40. NO measurement by NO-sensor electrode, cyclic voltammetry, (PNMR)-P-31 and HPLC analysis were used to investigate the reduction process as the fundamental step for NO release characteristic of trans-[RuCl([15]aneN(4))NO](PF6)(2). A supramolecular species containing HPO4 (2-) as a bridging group between noradrenaline and trans-[RuCl([15]aneN(4))NO](PF6)(2) is suggested as an intermediate prior to the reduction of the nitrosyl ruthenium complex.

Th2NiC2: a low density of states superconductor

The metallic carbides exhibit many novel prototypes of crystalline structure. Among these compounds Th2NiC2 was reported in 1991 as a new carbide which crystallizes in the U2IrC2 prototype structure. In this work we report a reinvestigation of the synthesis of this compound. We find that Th2NiC2 is a new superconductor. Our results suggest that this phase is stable only at high temperatures in the system Th-Ni-C. The substitution of Th by Sc stabilizes the phase and improves the superconducting properties. The highest superconducting critical temperature occurs at 11.2 K with nominal composition Th1.8Sc0.2NiC2. The electronic coefficient determined by specific heat measurements is close to zero. This unusual result can be explained by covalent bonding in the compound.

The generator coordinate method in the unrestricted Hartree-Fock formalism

The generator coordinate method was implemented in the unrestricted Hartree-Fock formalism. Weight functions were built from Gaussian generator functions for 1s, 2s, and 2p orbitals of carbon and oxygen atoms. These weight functions show a similar behavior to those found in the generator coordinate restricted Hartree-Fock method, i.e., they are smooth, continuous, and tend to zero in the limits of integration. Moreover, the weight functions obtained are different for spin-up and spin-down electrons what is a result from spin polarization. (C) 2011 Wiley Periodicals, Inc. Int J Quantum Chem, 2012

Spin-polarized transport in II-VI diluted magnetic semiconductors superlattices

We studied the spin-polarized charge densities in II-VI-based diluted magnetic superlattices formed of p-doped ZnTe:Mg/ZnTe:TM/ZnTe:Mg non-magnetic/magnetic/non-magnetic layers, with TM standing for transition metal. The calculations were performed within a self-consistent k.p method, in which are also taken into account the exchange correlation effects in the local density approximation. Our results show a limit for the width of the non-magnetic layer for which the difference between the opposite spin charge densities is maximized, indicating the best conditions to obtain full polarization by varying the TM content. We also discuss these effects in the calculated photoluminescence spectra. Our findings point to the possibility of engineering the spin-polarized charge distribution by varying the widths of the magnetic and non-magnetic layers and/or varying the TM concentration in the magnetic layers, thus providing a guide for future experiments. (c) 2012 Elsevier B.V. All rights reserved.