The shoving model for the glass-former LiCl center dot 6H(2)O: A molecular dynamics simulation study

Molecular dynamics (MD) simulations of LiCl center dot 6H(2)O Showed that the diffusion coefficient D, and also I lie structural relaxation time , follow a power law at high temperatures, D(-1) proportional to (T - T(0))(-mu), with the same experimental parameters for viscosity (T(0) = 207 K, mu = 2.08). Decoupling between D and occurs at T(x) similar to 1.1 T(0). High frequency acoustic excitations for the LiCl center dot 6H(2)O model were obtained by the calculation of time correlation functions of mass current fluctuations. The temperature dependence of the instantaneous shear modulus, G,(T), was considered in the shoving model for supercooled liquids [J.C. Dyre, T. Christensen, N.B. Olsen, J. Non-Cryst. Solids 352 (2006) 4635] resulting in a linear relationship log (D(-1)) vs. G root T. (C) 2009 Elsevier B.V. All rights reserved.

Synthesis of NiO-MgO-ZrO(2) catalysts and their performance in reforming of model biogas

Catalysts containing NiO/MgO/ZrO(2) mixtures were synthesized by the polymerization method in a single step. They were characterized by X-ray diffraction (XRD), temperature programmed reduction (TPR) and physisorption of N(2) (BET) and then tested in the reforming of a model biogas (1.5CH4:1CO(2)) in the presence of air (1.5CH(4) + 1CO(2) + 0.25O(2)) at 750 degrees C for 6h. It was observed that the catalyst Ni20MZ performed better in catalytic processes than the well known catalysts, Ni/ZrO(2) and Ni/MgO, synthesized under the same conditions. The formation of solid solutions, MgO-ZrO(2) and NiO-MgO, increased the rate of conversion of reactants (CH(4) and CO(2)) into synthesis gas (H(2) + CO). The formation of oxygen vacancies (in samples containing ZrO(2) and MgO) seems to promote removal of the coke deposited on the nickel surface. The values of the H(2)/CO ratio were generally found to be slightly lower than stoichiometric, owing to the reverse water gas shift reaction occurring in parallel. (C) 2011 Elsevier B.V. All rights reserved.

A pharmacokinetic-pharmacodynamic model for duodenal levodopa infusion

Objective Levodopa in presence of decarboxylase inhibitors is following two-compartment kinetics and its effect is typically modelled using sigmoid Emax models. Pharmacokinetic modelling of the absorption phase of oral distributions is problematic because of irregular gastric emptying. The purpose of this work was to identify and estimate a population pharmacokinetic- pharmacodynamic model for duodenal infusion of levodopa/carbidopa (Duodopa®) that can be used for in numero simulation of treatment strategies. Methods The modelling involved pooling data from two studies and fixing some parameters to values found in literature (Chan et al. J Pharmacokinet Pharmacodyn. 2005 Aug;32(3-4):307-31). The first study involved 12 patients on 3 occasions and is described in Nyholm et al. Clinical Neuropharmacology 2003:26:156-63. The second study, PEDAL, involved 3 patients on 2 occasions. A bolus dose (normal morning dose plus 50%) was given after a washout during night. Plasma samples and motor ratings (clinical assessment of motor function from video recordings on a treatment response scale between -3 and 3, where -3 represents severe parkinsonism and 3 represents severe dyskinesia.) were repeatedly collected until the clinical effect was back at baseline. At this point, the usual infusion rate was started and sampling continued for another two hours. Different structural absorption models and effect models were evaluated using the value of the objective function in the NONMEM package. Population mean parameter values, standard error of estimates (SE) and if possible, interindividual/interoccasion variability (IIV/IOV) were estimated. Results Our results indicate that Duodopa absorption can be modelled with an absorption compartment with an added bioavailability fraction and a lag time. The most successful effect model was of sigmoid Emax type with a steep Hill coefficient and an effect compartment delay. Estimated parameter values are presented in the table. Conclusions The absorption and effect models were reasonably successful in fitting observed data and can be used in simulation experiments.

Um modelo de implementação do capability maturity model integration nível 2

Apesar de o CMMI (Capability Maturity Model Integration) prover uma cobertura mais detalhada do ciclo de vida dos produtos que o uso isolado de outros processos de melhoria, ainda assim não pode ser visto como uma metodologia pronta para ser utilizada pelas organizações. Cada organização deve mapear as áreas de processo do nível CMMI desejado (caso a opção seja a representação por estágios, como veremos adiante) à sua metodologia, aos seus métodos e técnicas de desenvolvimento de produtos e sistemas, levando também em consideração os objetivos de negócio da organização. Tanto o CMMI como as demais normas e modelos de qualidade, dizem “o que” e não “como” fazer. Determinar este “como” é um trabalho adicional bastante grande que as organizações devem realizar quando da adoção destas normas. Para isto, normalmente as organizações buscam no mercado empresas de consultoria que possuem experiência na área. Essas consultorias são bastante indicadas porque aumentam significativamente a qualidade e a velocidade dos resultados. Este trabalho pretende facilitar as organizações interessadas na implementação de um modelo de qualidade, fornecendo descrições sobre alguns dos modelos de qualidade mais utilizados atualmente, bem como modelos de processos, guias e formulários que podem ser utilizados diretamente ou como uma base para a implementação do modelo desejado. Embora se aplique à implementação de qualquer modelo de qualidade, mais especificamente, este trabalho destina-se a auxiliar organizações que visem implementar o modelo CMMI nível 2 (doravante usaremos também a abreviação CMMI-N2). Para tanto, descreve de forma mais detalhada este modelo e fornece um caminho para a implementação do mesmo, incluindo a descrição de um processo mínimo de desenvolvimento de software, com base no RUP (Rational Unified Process) e o uso de um modelo de ciclo de vida de melhoria de processos, o IDEAL. Neste trabalho, propõe-se que seja utilizado o modelo IDEAL para a implementação do modelo de qualidade devido ao fato de este modelo ter sido concebido originalmente como um modelo de ciclo de vida para melhoria de processos de software com base no SW-CMM (Capability Maturity Model for Software). Associado a esse modelo, é sugerido que se utilize algumas técnicas e processos de gerência de projetos para cada área de processo do CMMI-N2, visando implantar cada área de processo através de um projeto. Para a implementação são propostos guias, modelos (formulários) de implementação e uma tabela que mapeia todas as áreas de processo do CMMI-N2, seus objetivos, práticas, produtos de trabalho e as ferramentas associadas.

Exogenous Administration of 15d-PGJ(2)-Loaded Nanocapsules Inhibits Bone Resorption in a Mouse Periodontitis Model

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

Excitations and finite-size properties of an integrable supersymmetric electronic model

Conselho Nacional de Desenvolvimento Científico e Tecnológico (CNPq)

The structure and optical dispersion of the refractive index of tellurite glass

Coordenação de Aperfeiçoamento de Pessoal de Nível Superior (CAPES)

Role of PKC and CaV1.2 in Detrusor Overactivity in a Model of Obesity Associated with Insulin Resistance in Mice

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

A micelle nucleation model for the interaction of dodecyl sulphate with Lys49-phospholipases A(2)

Bothropstoxin-I (BthTx-I) is a Lys49-PLA(2) from the venom of Bothrops jararacussu that lacks detectable catalytic activity, yet causes rapid Ca2+-independent membrane damage. With the aim of understanding the interaction between BthTx-I and amphiphilic molecules, we have studied the interaction of sodium dodecyl sulphate (SDS) with the protein. Circular dichroism and attenuated total reflection Fourier-transform infrared spectra of BthTx-I reveal changes in the alpha-helical organization of the protein at an SDS/BthTx-I molar ratio of 20-25. At SDS/BthTx-I ratios of 40-45 the alpha-helices return to a native-like conformation, although fluorescence emission anisotropy measurements of 2-amino-N-hexadecyl-benzamide (AHBA) demonstrate that the total SDS is below the critical micelle concentration when this transition occurs. These results may be interpreted as the result of SDS accumulation by the BthTx-I homodimer and the formation of a pre-micelle SDS/BthTx-I complex, which may subsequently be released from the protein surface as a free micelle. Similar changes in the alpha-helical organization of BthTx-I were observed in the presence of dipalmitoylphosphatidylcholine liposomes, suggesting that protein structure transitions coupled to organization changes of bound amphiphiles may play a role in the Ca2+-independent membrane damage by Lys49-PLA(2)s. (c) 2006 Elsevier B.V. All rights reserved.

Vector and axial-vector correlators in a non-local chiral quark model

The behavior of the non-perturbative parts of the isovector-vector and isovector and isosinglet axial-vector correlators at Euclidean momenta is studied in the framework of a covariant chiral quark model with non-local quark-quark interactions. The gauge covariance is ensured with the help of the P-exponents, with the corresponding modification of the quark-current interaction vertices taken into account. The low- and high-momentum behavior of the correlators is compared with the chiral perturbation theory and with the QCD operator product expansion, respectively. The V-A combination of the correlators obtained in the model reproduces quantitatively the ALEPH and OPAL data on hadronic tau decays, transformed into the Euclidean domain via dispersion relations. The predictions for the electromagnetic pi(+/-) - pi(0) mass difference and for the pion electric polarizability are also in agreement with the experimental values. The topological susceptibility of the vacuum is evaluated as a function of the momentum, and its first moment is predicted to be chi'(0) approximate to (50 MeV)(2). In addition, the fulfillment of the Crewther theorem is demonstrated.

Cooper pair dispersion relation for weak to strong coupling

Cooper pairing in two dimensions is analyzed with a set of renormalized equations to determine its binding energy for any fermion number density and all coupling assuming a,generic pairwise residual interfermion interaction. Also considered are Cooper pairs (CP's) with nonzero center-of-mass momentum (CMM) and their binding energy is expanded analytically in powers of the CMM up to quadratic terms. A Fermi-sea-dependent linear term in the CMM dominates the pair excitation energy in weak coupling (also called the BCS regime) while the more familiar quadratic term prevails in strong coupling (the Bose regime). The crossover, though strictly unrelated to BCS theory per se, is studied numerically as it is expected to play a central role in a model of superconductivity as a Bose-Einstein condensation of CPs where the transition temperature vanishes for all dimensionality d less than or equal to 2 for quadratic dispersion, but is nonzero for all d greater than or equal to 1 for linear dispersion.

On high Q(2) behavior of the pion form factor for transitions gamma*gamma -> pi(0) and gamma*gamma* -> pi(0) within the nonlocal quark-pion model

The behavior of the transition pion form factor for processes gamma (*)gamma --> pi(0) and gamma (*)gamma (*) --> pi(0) at large values of space-like photon momenta is estimated within the nonlocal covariant quark-pion model. It is shown that, in general, the coefficient of the leading asymptotic term depends dynamically on the ratio of the constituent quark mass and the average virtuality of quarks in the vacuum and kinematically on the ratio of photon virtualities. The kinematic dependence of the transition form factor allows us to obtain the relation between the pion light-cone distribution amplitude and the quark-pion vertex function. The dynamic dependence indicates that the transition form factor gamma (*)gamma -->, pi(0) at high momentum transfers is very sensitive to the nonlocality size of nonperturbative fluctuations in the QCD vacuum. (C) 2000 Elsevier B.V. B.V. All rights reserved.

Vertex operators and soliton solutions of affine Toda model with U(2) symmetry

The symmetry structure of the non-Abelian affine Toda model based on the coset SL(3)/SL(2) circle times U(1) is studied. It is shown that the model possess non-Abelian Noether symmetry closing into a q-deformed SL(2) circle times U(1) algebra. Specific two-vertex soliton solutions are constructed.

The Faddeev-Jackiw approach and the conformal affine sl(2) Toda model coupled to the matter field

The conformal affine sl(2) Toda model coupled to the matter field is treated as a constrained system in the context of Faddeev-Jackiw and the (constrained) symplectic schemes. We recover from this theory either the sine-Gordon or the massive Thirring model, through a process of Hamiltonian reduction, considering the equivalence of the Noether and topological currrents as a constraint and gauge fixing the conformal symmetry. (C) 2000 Academic Press.

Integrablility of a classical N=2 super sinh-Gordon model with jump defects

The Lagrangian formalism for the N = 2 supersymmetric sinh-Gordon model with a jump defect is considered. The modified conserved momentum and energy are constructed in terms of border functions. The supersymmetric Backlund transformation is given and an one-soliton solution is obtained.The Lax formulation based on the affine super Lie algebra sl(2, 2) within the space split by the defect leads to the integrability of the model and henceforth to the existence of an infinite number of constants of motion.