A tellurium-based cathepsin B inhibitor: Molecular structure, modelling, molecular docking and biological evaluation

Coordenação de Aperfeiçoamento de Pessoal de Nível Superior (CAPES)

Surface-plasmon-enhanced frequency upconversion in Pr(3+) doped tellurium-oxide glasses containing silver nanoparticles

A frequency upconversion process in Pr(3+) doped TeO(2)-ZnO glasses containing silver nanoparticles is studied under excitation with a nanosecond laser operating at 590 nm, in resonance with the (3)H(4)-->(1)D(2) transition. The excited Pr(3+) ions exchange energy in the presence of the nanoparticles, originating efficient conversion from orange to blue. The enhancement in the intensity of the luminescence at similar to 482 nm, corresponding to the (3)P(0)-->(3)H(4) transition, is due to the influence of the large local field on the Pr(3+) ions, which are located near the metallic nanoparticles. (C) 2008 American Institute of Physics.

Enhanced luminescence of Tb3+/Eu3+ doped tellurium oxide glass containing silver nanostructures

Conselho Nacional de Desenvolvimento Científico e Tecnológico (CNPq)

Near-infrared nonlinearity of a multicomponent tellurium oxide glass at 800 and 1,064 nm

We report on the nonlinear (NL) optical properties of glassy TeO2-GeO2-K2O-Bi2O3 at lambda = 800 nm and lambda = 1,064 nm. Using the Kerr gate technique with a laser delivering 150 fs pulses at 800 nm, we demonstrated the fast NL response of the samples. The modulus of the NL refractive index, n (2), at 800 nm was similar to 10(-15) cm(2)/W. The Z-scan technique was used to determine n (2) a parts per thousand +10(-15) cm(2)/W, at 1,064 nm with pulses of 17 ps. The two-photon absorption coefficient, alpha (2), was smaller than the minimum that we can measure (< 0.003 cm/GW). The figure of merit n (2)/alpha (2) lambda was calculated and indicates that this glass composition has large potential to be used for all-optical switching.

Bis[(4-methylphenyl)ethynyl] telluride

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

Effects of the particle size and nucleation temperature on tellurite 20Li(2)O-80TeO(2) glass crystallization

20Li(2)O-80TeMO(2) glasses were heat annealed at different temperatures between T-g and T-x and studied by using XRD, FTIR spectroscopy and DSC techniques to understand the crystallization kinetics in this glass matrix. The infrared band structure of this glass is similar to what was observed in glassy TeO2. XRD results reveal the presence of three distinct crystalline gamma-TeO2, alpha-TeO2 and Li2Te2O5 phases during the crystallization process. This is a first report of gamma-TeO2 phase crystallization in this glass matrix. DSC results confinn the crystallization of three distinct structures in the glass. In summary, our results suggest a crystallization hierarchy on this glass matrix since the gamma-TeO2 and alpha-TeO2 phases crystallization occurs before the Li2Te2O5 phase crystallization. (c) 2006 Elsevier B.V. All rights reserved.

Propriedades estruturais e térmicas de vidros teluretos 20Li2O-80TeO2

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

Thermally stimulated crystallization glass system of (20-x)LiO2-80TeO(2)-xWO(3)

Coordenação de Aperfeiçoamento de Pessoal de Nível Superior (CAPES)

NON-ISOTHERMAL STUDIES on CRYSTALLIZATION KINETICS of TELLURITE 20Li(2)O-80TeO(2) GLASS

Conselho Nacional de Desenvolvimento Científico e Tecnológico (CNPq)

Inversion in the temperature coefficient of the optical path length close to the glass transition temperature in tellurite glasses

Conselho Nacional de Desenvolvimento Científico e Tecnológico (CNPq)

Dichloro(cyclohexilidene-1-methylene)(phenyl)Te(IV). Looking for the theoretical treatment

C(13)H(16)Cl(2)Te,M(r)=370.76,P2(1)/a, a = 8.1833(8), b = 8.4163(8), c = 20.787(2) A, beta = 99.52(1)degrees, Z = 4, R(1) = 0,0275. The primary coordination around the Te(IV) atom is consistent with a pseudo-trigonal bipyramidal bond configuration with two Cl atoms occupying axial positions while the C atoms and the lone pair of electrons occupy the equatorial positions. The Te(IV) atom is involved in an intermolecular secondary interaction resulting in the self assembly of zigzag-chains supramolecular array. In order to determine the theoretical basis set for the Te atom which leads to the best agreement with the experimental data, a large series of geometry optimizations were performed on dichloro dimethyl Te(IV), as a model compound, and the results compared with the mean distances and angles obtained from 45 X-ray structures. The Ahlrichs basis set plus the Hay & Wadt ECP was selected and used for a series of calculations performed on the title compound.

Revisiting the addition reaction of TeCl4 to alkynes: the crystal structure and docking studies of 1-chloro-2-trichlorotelluro-3-phenyl-propen-2-ol

Tellurium tetrachloride adds to alkynes via two pathways: a concerted syn addition, that yields Z-tri- and tetra-substituted alkenes or by an anti addition that yields E-alkenes. The mechanistic aspects of these divergent pathways have been reevaluated at the light of crystallographic data. The molecules, of the title compound, in the crystal, are associated in a helical fashion with a Te...Te pitch of 6.3492(6) angstrom. As it exhibits inhibitory activity for cathepsin B and in order to gain more insight of the inhibition mechanism, a docking study was undertaken providing insight on why organic telluranes are more efficient inhibitors than inorganic ones as AS-101. (c) 2006 Elsevier B.V. All rights reserved.

Lead-cadmium oxyfluoride glasses and glass-ceramics

Glasses and glass-ceramics have been obtained in oxyfluoride systems involving lead and cadmium fluorides and one of the well-known glass former oxides SiO2, B2O3 and TeO2. Vitreous domains were established and a wide range of compositions including high heavy metal contents lead to stable glasses. Amorphous structures have been studied by short-range order spectroscopy techniques (Raman scattering and x-ray absorption) and molecular basic structures have been identified. Besides the usual oxides, the role of glass former could also be proposed for cadmium ions. Special attention has been paid for crystallization process. Cubic lead fluoride, cubic lead tellurite, tetragonal tellurium oxide and a solid solution of the type Pb1-xCdxF2 are obtained as crystallization products depending on the composition and temperature of heat treatments. Pb1-xCdxF2 solid solutions are well known superionic materials and obtaining this solid solution as a crystal phase could be very interesting for applications concerning ionic electrical conduction properties. The addition of rare earth ions led to the control of the crystallization process. In the presence of the nucleating ion only the cubic form beta-PbF2 was identified. Rare earth ions are present in the crystal phase and crystal-like spectroscopic properties were observed suggesting interesting applications for these perfectly transparent glass ceramics in photonics.

Synthesis, crystal structure and theoretical studies of aryltellurenyl tetramethylthiourea(tmtu) iodine complexes: Ph-Te(tmtu)I (1) and beta-naphtyl-Te(tmtu)I (2)

(1) C11H17IN2STe, Mr = 463.83, P2(1)/n, a 7.6582(8), b = 13.8008(9), c = 15.026(3) angstrom, beta = 96.233(12)degrees, Z = 4, R-1 = 0.0318. (2) C15H19IN2STe, Mr = 513.88, P2(1)/n, a = 8.434(5), b = 11.697(5), c = 18.472(5) angstrom, beta = 98.556(5)degrees, Z = 4, R-1 = 0.0236. The synthesis of the aryltellurenyl N,N',-tetramethylthiourea (tmtu) iodide has been performed by ligand exchange with potassium iodide and the corresponding aryltellurenyl(tmtu) bromide. In both structures the tellurium atom is primarily three-coordinated, being bonded to a carbon atom of the organic ring and, in directions nearly perpendicular to the Te-C bond, to one tmtu sulfur atom and one iodine. In addition there are Te...secondary bonds, joining the molecules in centrosymmetric dimers, which in turn are joined through C-H...1 and C-H... S interactions, in (1) and (2), respectively.

Structural studies on TeO2-PbO glasses

Binary tellurite-based glasses in the TeO2-PbO system were prepared and its structure investigated by means of Raman Scattering and X-ray Absorption Spectroscopy. Both spectroscopies indicate strong modifications of the first coordination shell around tellurium atoms when the PbO content increases revealing for lead its glassy network modifier role. Also, Pb L-3-edge EXAFS measurements reveal this structural role played by lead atoms, but the presence of a medium range order contribution indicates that lead also participates to the glassy network formation. (C) 2001 Elsevier B.V. Ltd. All rights reserved.