Ligand Exchange Inducing Efficient Incorporation of CisPt Derivatives into Ureasil-PPO Hybrid and Their Interactions with the Multifunctional Hybrid Network

Coordenação de Aperfeiçoamento de Pessoal de Nível Superior (CAPES)

The theory of vibronic transitions in rare earth compounds

The theory of vibronic transitions in rare earth compounds is re-examined in the light of a more reliable representation for the ligand field Hamiltonian than the crude electrostatic model. General expressions that take into account the relevant contributions from the forced electric dipole and dynamic coupling mechanisms are derived for the vibronic intensity parameters. These include additional terms, from charge and polarizability gradients, which have not been considered in previous work. Emphasis is given to the relative signs of these various contributions. Under certain approximations these expressions may be conveniently written in terms of accessible ligand field parameters. A comparison with experimental values for the compounds Cs2NaEuCl6 and LiEuF4 is made and satisfactory agreement between theory and experiment is found. A discussion is given on the sensitivity of the calculated intensities to the values of radial integrals, interconfigurational energy differences and ligand field parameters that may be used. Finally, the problem in which a vibronic and an electronic level are in resonance, or near resonance, is analyzed. Suitable expressions to describe the effects of the even-rank components of the vibronic Hamiltonian are obtained. It is found that, depending on the strength of the vibronic interaction and the resonance conditions, the admixture between these two levels may lead to intensities of nearly equal values. © 1995.

A description of ligand field effects in the Di-μ-Azido-Bis [{Azido(N,N-diethylethylenediamine)}Copper(II)] compound by the simple overlap model

We present a theoretical description of ligand field effects in the di-μ-azido- bis[{azido(N,N-diethylethylenediamine)} copper(II)] compound by the Simple Overlap Model. The ligand field Hamiltonian is expressed in terms of irreducible tensor operators for an assumed D3h site symmetry occupied by the copper ion. The ligand field parameters, calculated from the available structural data, indicate that the copper ion is under the influence of a very strong ligand field. The energy of the d-d absorption band is well reproduced phenomenologically by the model.

Stable singularities of co-rank one quasi homogeneous map germs from (ℂn+1, 0) to (ℂn, 0), n = 2, 3

In this article, we investigate the geometry of quasi homogeneous corank one finitely determined map germs from (ℂn+1, 0) to (ℂn, 0) with n = 2, 3. We give a complete description, in terms of the weights and degrees, of the invariants that are associated to all stable singularities which appear in the discriminant of such map germs. The first class of invariants which we study are the isolated singularities, called 0-stable singularities because they are the 0-dimensional singularities. First, we give a formula to compute the number of An points which appear in any stable deformation of a quasi homogeneous co-rank one map germ from (ℂn+1, 0) to (ℂn, 0) with n = 2, 3. To get such a formula, we apply the Hilbert's syzygy theorem to determine the graded free resolution given by the syzygy modules of the associated iterated Jacobian ideal. Then we show how to obtain the other 0-stable singularities, these isolated singularities are formed by multiple points and here we use the relation among them and the Fitting ideals of the discriminant. For n = 2, there exists only the germ of double points set and for n = 3 there are the triple points, named points A1,1,1 and the normal crossing between a germ of a cuspidal edge and a germ of a plane, named A2,1. For n = 3, there appear also the one-dimensional singularities, which are of two types: germs of cuspidal edges or germs of double points curves. For these singularities, we show how to compute the polar multiplicities and also the local Euler obstruction at the origin in terms of the weights and degrees. © 2013 Pushpa Publishing House.

Massive spin-2 particle from a rank-2 tensor

Here we obtain all possible second-order theories for a rank-2 tensor which describe a massive spin-2 particle. We start with a general second-order Lagrangian with ten real parameters. The absence of lower-spin modes and the existence of two local field redefinitions leads us to only one free parameter. The solutions are split into three one-parameter classes according to the local symmetries of the massless limit. In the class which contains the usual massive Fierz-Pauli theory, the subset of spin-1 massless symmetries is maximal. In another class where the subset of spin-0 symmetries is maximal, the massless theory is invariant under Weyl transformations and the mass term does not need to fit into the form of the Fierz-Pauli mass term. In the remaining third class neither the spin-1 nor the spin-0 symmetry is maximal and we have a new family of spin-2 massive theories. © 2013 American Physical Society.

A rank aggregation framework for video multimodal geocoding

This paper proposes a rank aggregation framework for video multimodal geocoding. Textual and visual descriptions associated with videos are used to define ranked lists. These ranked lists are later combined, and the resulting ranked list is used to define appropriate locations for videos. An architecture that implements the proposed framework is designed. In this architecture, there are specific modules for each modality (e.g, textual and visual) that can be developed and evolved independently. Another component is a data fusion module responsible for combining seamlessly the ranked lists defined for each modality. We have validated the proposed framework in the context of the MediaEval 2012 Placing Task, whose objective is to automatically assign geographical coordinates to videos. Obtained results show how our multimodal approach improves the geocoding results when compared to methods that rely on a single modality (either textual or visual descriptors). We also show that the proposed multimodal approach yields comparable results to the best submissions to the Placing Task in 2012 using no extra information besides the available development/training data. Another contribution of this work is related to the proposal of a new effectiveness evaluation measure. The proposed measure is based on distance scores that summarize how effective a designed/tested approach is, considering its overall result for a test dataset. © 2013 Springer Science+Business Media New York.

Cross-talk with β2-adrenoceptors enhances ligand affinity properties from endothelial alpha1D-adrenoceptors that mediates carotid relaxation

Objectives Our main objectives were to investigate the affinity properties of endothelial and muscular α1D-adrenoceptors and to characterize the cross-talk between endothelial α1D- adrenoceptors and β2-adrenoceptors in rat carotid. Methods Relaxation and contraction concentration-response curves for phenylephrine (α1-adrenergic agonist) were obtained in carotid rings in absence or presence of increasing concentrations of BMY7378 (α 1D-adrenergic antagonist), combined or not with increasing concentration of ICI-118,551 (β2-adrenergic antagonist). Schild analysis was used to estimate the affinity constant from pA2 values of BMY7378. Key Findings BMY7378 produced an unsurmountable antagonism on phenylephrine-induced relaxation but a surmountable antagonism on phenylephrine-induced contraction. BMY7378 potency was higher in inhibiting the relaxation than the contraction induced by phenylephrine because the rightward shifts induced by BMY7378 were greater in the relaxation. The apparent pA 2 value for BMY7378 in phenylephrine-induced relaxation was greater than in contraction. When combined with ICI-118,551, BMY7378 yielded a surmountable antagonism on phenylephrine-induced relaxation and presented a pA2 value similar to that obtained in phenylephrine-induced contraction. Conclusions Endothelial α1D-adrenoceptors, which mediates rat carotid relaxation, present high ligand affinity because of the cross-talk with β2-adrenoceptors, which explains the higher potency of phenylephrine in inducing relaxation than contraction and the atypical unsurmountable antagonism produced by BMY7378 on phenylephrine-induced relaxation. © 2013 Royal Pharmaceutical Society.

Comparison of factor-analytic and reduced rank models for test-day milk yield in Gyr dairy cattle (Bos indicus)

We analyzed 46,161 monthly test-day records of milk production from 7453 first lactations of crossbred dairy Gyr (Bos indicus) x Holstein cows. The following seven models were compared: standard multivariate model (M10), three reduced rank models fitting the first 2, 3, or 4 genetic principal components, and three models considering a 2-, 3-, or 4-factor structure for the genetic covariance matrix. Full rank residual covariance matrices were considered for all models. The model fitting the first two principal components (PC2) was the best according to the model selection criteria. Similar phenotypic, genetic, and residual variances were obtained with models M10 and PC2. The heritability estimates ranged from 0.14 to 0.21 and from 0.13 to 0.21 for models M10 and PC2, respectively. The genetic correlations obtained with model PC2 were slightly higher than those estimated with model M10. PC2 markedly reduced the number of parameters estimated and the time spent to reach convergence. We concluded that two principal components are sufficient to model the structure of genetic covariances between test-day milk yields. © FUNPEC-RP.

Synthesis, crystal structures, antimicrobial, antifungal and antituberculosis activities of mixed ligand silver(I) complexes

The biological activity of some new mixed silver-phosphane-thio-ligand complexes, with 1:1:2, 1:1:1 and 1:2:1 (Ag:phospine:ligand) compositions, have been examined. Ten compounds were prepared using a series of silver(I) salts [AgX, where X = NO3, ClO4, PF6 and Br], tertiary phosphines and the ligands thi-osemicarbazide, 2-(propan-2-ylidene) hydrazinecarbothioamide, and thiazolidine-2-thione. The syntheses were carried out under ambient conditions, and the ten complexes obtained were found to be light stable. All 10 compounds were characterized by elemental analysis, FTIR, and NMR spectroscopy, whereas nine compounds were characterized by X-ray diffraction analysis. The anti-proliferative activities were evaluated by minimum inhibitory concentration (MIC: lg/mL) in an aqueous suspension system and they all show promising potential activity against selective strains of Gram-positive and Gram-negative bacteria, fungous and Mycrobaterium tuberculosis H37Rv. © 2013 Elsevier Ltd. All rights reserved.

A polymeric europium complex with the ligand thiophene-2-carboxylic acid: Synthesis, structural and spectroscopic characterization

A polymeric complex [Eu(α-tpc)3(α-Htpc) 2]n and its characterization by single crystal X-ray and thermal analysis, infrared and photoluminescence spectroscopies are described. The compound crystallizes in the monoclinic Cc space group. The asymmetric unit is formed from a europium ion bonded to one carboxyl oxygen of five different thiophene carboxylic moieties. Three of these moieties are deprotonated and bridge between neighboring europium ions giving rise to an infinite polymer along the c axis. Besides the europium characteristic emission lines, the emission spectra show unambiguously the crystal size effect on the 5D0 → 7F0 transition. The complex thermal decomposition at 220 C leads to a stable luminescent complex in which the 5D0 → 7F4 transition reveals a monomeric characteristic. The Judd-Ofelt intensity parameters to the polymeric and the monomeric compound with the same ligand and coordination number were compared. © 2013 Published by Elsevier Ltd.

Expressão das proteínas osteoprotegerina, RANK e RANKL durante o processo de reparo alveolar em ratos: estudo imunoistoquímico

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

Imunomarcação das proteínas OPG, RANK e RANKL em dentes reimplantados de rato

Pós-graduação em Odontologia - FOA

Influência do FK-506 sobre a expressão de RANKL e OPG na doença periodontal induzida: estudo in vivo e in vitro

Conselho Nacional de Desenvolvimento Científico e Tecnológico (CNPq)

Influência da ovariectomia associada à dieta deficiente em cálcio na periodontite experimental

Coordenação de Aperfeiçoamento de Pessoal de Nível Superior (CAPES)

Papel das proteínas intracelulares Nod e da proteína adaptadora MyD88 na regulação de espressão de RANKL e modulação da resposta inflamatória induzidos por antígenos bacterianos in vitro: estudo em células relevantes de periodonto

Coordenação de Aperfeiçoamento de Pessoal de Nível Superior (CAPES)