All electron fully relativistic Dirac-Fock calculation for darmstadtium carbide using prolapse free basis set

For the first time, ab inito all electron fully relativistic and correlated Dirac-Fock calculations with prolapse free basis set are reported for a Super Heavy Element. We investigated the relativistic effects on bonding and on some spectroscopic constants for the darmstadtium carbide and our results at DF/CCSD(T) with a prolapse free basis set suggest for R-e, omega(e) and D-e the values of 174 pm, 1114 cm(-1) and 7.29 eV, respectively. These values are very similar to the values for PtC found on literature. It was also found that prolapse free basis set may be important to estimate the dissociation energy using Relativistic 4-components correlated methods. (c) 2007 ELsevier B.V. All rights reserved.

The effect of N+ ion energy on the properties of ion bombarded plasma polymer films

This work describes the influence of the ion bombardment on the electrical, optical and mechanical properties of polymer films deposited from radio-frequency plasmas of benzene. Irradiations were conducted using N+ at 5 x 10(19) ions/m(2), varying the ion energy, E-0, from 0 to 150 keV. Film elemental composition was determined by Rutherford backscattering spectroscopy. Electrical resistivity and hardness were obtained by the two-point probe and nanoindentation technique, respectively. Ultraviolet-visible spectroscopy was employed to investigate the optical constants of the samples. Etching rate was determined by exposure of the films to reactive oxygen plasmas. Ion bombardment induced gradual loss of H and increase in C and O concentrations with Eo. As a consequence the electrical, optical and mechanical properties were drastically affected. Interpretation of these results is proposed in terms of chain cross-linking and unsaturation. (C) 2001 Elsevier B.V. B.V. All rights reserved.

Revisiting the S-matrix approach to the open superstring low energy effective lagrangian

The conventional S-matrix approach to the (tree level) open string low energy effective lagrangian assumes that, in order to obtain all its bosonic alpha'(N) order terms, it is necessary to know the open string (tree level) (N + 2)-point amplitude of massless bosons, at least expanded at that order in alpha'. In this work we clarify that the previous claim is indeed valid for the bosonic open string, but for the supersymmetric one the situation is much more better than that: there are constraints in the kinematical bosonic terms of the amplitude (probably due to Spacetime Supersymmetry) such that a much lower open superstring n-point amplitude is needed to find all the alpha'(N) order terms. In this 'revisited' S-matrix approach we have checked that, at least up to alpha'(4) order, using these kinematical constraints and only the known open superstring 4-point amplitude, it is possible to determine all the bosonic terms of the low energy effective lagrangian. The sort of results that we obtain seem to agree completely with the ones achieved by the method of BPS configurations, proposed about ten years ago. By means of the KLT relations, our results can be mapped to the NS-NS sector of the low energy effective lagrangian of the type II string theories implying that there one can also find kinematical constraints in the N -point amplitudes and that important informations can be inferred, at least up to alpha'(4) order, by only using the (tree level) 4-point amplitude.

Apparent digestibility of protein, energy, and amino acids in some selected feed ingredients for pacu Piaractus mesopotamicus

The apparent digestibility coefficients (ADCs) of amino acids (AA), protein, and energy in six feed ingredients (Brazilian fish meal, soybean meal, corn gluten meal, alcoholic yeast, corn, and wheat bran) we evaluated for pacu juveniles. In general, all ingredients showed high digestibility values for all AA, and differences among ADCs of individual amino acid were detected (P < 0.01). Corn gluten, soybean, and fish meals had the highest ADCs of AA. The ADCs of protein in fish meal, yeast, and corn gluten meal should not be used as AA digestibility indicators, because those showed differences up to 6.7% between the ADCs of protein and AA. All ingredients had lower ADCs of energy than corn gluten meal (P < 0.01). Lysine was the first limiting amino acid in fish meal, corn gluten meal, wheat bran, and corn, and the second limiting amino acid in soybean meal, as methionine was the first limiting amino acid in soybean meal and yeast. However, the soybean meal was the best quality protein source, as it had the highest digestible essential amino acid index. This demonstrated that digestible amino acid values can be used to formulate practical diets for pacu, preventing potential deficiencies or excess that might cause environmental and economic losses.

Paper-based diffusive gradients in thin films technique coupled to energy dispersive X-ray fluorescence spectrometry for the determination of labile Mn, Co, Ni, Cu, Zn and Pb in river water

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

Fiber fermentability effects on energy and macronutrient digestibility, fecal traits, postprandial metabolite responses, and colon histology of overweight cats

Considering the different potential benefits of divergent fiber ingredients, the effect of 3 fiber sources on energy and macronutrient digestibility, fermentation product formation, postprandial metabolite responses, and colon histology of overweight cats (Felis catus) fed kibble diets was compared. Twenty-four healthy adult cats were assigned in a complete randomized block design to 2 groups of 12 animals, and 3 animals from each group were fed 1 of 4 of the following kibble diets: control (CO; 11.5% dietary fiber), beet pulp (BP; 26% dietary fiber), wheat bran (WB; 24% dietary fiber), and sugarcane fiber (SF; 28% dietary fiber). Digestibility was measured by the total collection of feces. After 16 d of diet adaptation and an overnight period without food, blood glucose, cholesterol, and triglyceride postprandial responses were evaluated for 16 h after continued exposure to food. on d 20, colon biopsies of the cats were collected under general anesthesia. Fiber addition reduced food energy and nutrient digestibility. of all the fiber sources, SF had the least dietary fiber digestibility (P < 0.05), causing the largest reduction of dietary energy digestibility (P < 0.05). The greater fermentability of BP resulted in reduced fecal DM and pH, greater fecal production [g/(cat x d); as-is], and greater fecal concentration of acetate, propionate, and lactate (P < 0.05). For most fecal variables, WB was intermediate between BP and SF, and SF was similar to the control diet except for an increased fecal DM and firmer feces production for the SF diet (P < 0.05). Postprandial evaluations indicated reduced mean glucose concentration and area under the glucose curve in cats fed the SF diet (P < 0.05). Colon mucosa thickness, crypt area, lamina propria area, goblet cell area, crypt mean size, and crypt in bifurcation did not vary among the diets. According to the fiber solubility and fermentation rates, fiber sources can induce different physiological responses in cats, reduce energy digestibility, and favor glucose metabolism (SF), or improve gut health (BP).

Structural and properties of nanocrystalline WO3/TiO2-based humidity sensors elements prepared by high energy activation

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

Effects of monocrotaline on energy metabolism in the rat liver

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

Ab Initio correlated all electron dirac-fock calculations for Eka-Francium Fluoride (E119F)

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

Bulk and high-energy ball-milled Gd5Si2Ge2: Comparative study of magnetic and magnetocaloric properties

High-energy ball milling was employed to produce small particles of Gd5Si2Ge2. Magnetic and magnetocaloric properties of the ball-milled and bulk Gd5Si2Ge2 samples were investigated through the magnetization measurements. When compared to the bulk material, a significant decrease in saturation magnetization and magnetocaloric effect (-Delta S-max = 4 vs. 20 J/kgK for Delta H = 0-5 T) is observed even after the relatively short ball milling time of 4 h which produced particles with an average size of ca. 0.5 mu m. The ball-milled samples appear to loose a first-order structural transition, present in bulk Gd5Si2Ge2, and display a superparamagnetic behaviour below the corresponding Curie temperatures. (C) 2010 Elsevier Masson SAS. All rights reserved.

Comparison of proton energy loss in thick absorbers in terms of a reduced calibration curve

Coordenação de Aperfeiçoamento de Pessoal de Nível Superior (CAPES)

Fully relativistic calculations on the potential energy surfaces of the lowest 23 states of molecular chlorine

The electronic structure and spectroscopic properties (R(e), omega(e), omega(e)x(e), beta(e), and T(e)) of the ground state and the 22 lowest excited states of chlorine molecule were studied within a four-component relativistic framework using the MOLFDIR program package. The potential energy curves of all possible 23 covalent states were calculated using relativistic complete open shell configuration interaction approach. In addition, four component multireference configuration interaction with single and double excitation calculations were performed in order to infer the effects due to dynamical correlation in vertical excitations. The calculated properties are in good agreement with the available experimental data.

Energy transfer between Pr3+ ions in a fluoroindate glass

The efficiency of energy transfer (ET) between Pr3+ ions in a fluoroindate glass is determined. ET rates, WET, were determined for dilute samples and the results show a dependence of WET on the Pr3+ concentration. ET processes which contribute to resonance fluorescence and frequency upconversion emission were studied. The origin of the interaction energy among the Pr3+ ions was determined to be dipole - dipole. © 1998 Elsevier Science B.V. All rights reserved.

Energy and the AdS/CFT correspondence

We consider a scalar field theory on AdS in both minimally and non-minimally coupled cases. We show that there exist constraints which arise in the quantization of the scalar field theory on AdS which cannot be reproduced through the usual AdS/CFT prescription. We argue that the usual energy, defined through the stress-energy tensor, is not the natural one to be considered in the context of the AdS/CFT correspondence. We analyze a new definition of the energy which makes use of the Noether current corresponding to time displacements in global coordinates. We compute the new energy for Dirichlet, Neumann and mixed boundary conditions on the scalar field and for both the minimally and non-minimally coupled cases. Then, we perform the quantization of the scalar field theory on AdS showing that, for 'regular' and 'irregular' modes, the new energy is conserved, positive and finite. We show that the quantization gives rise, in a natural way, to a generalized AdS/CFT prescription which maps to the boundary all the information contained in the bulk. In particular, we show that the divergent local terms of the on-shell action contain information about the Legendre transformed generating functional, and that the new constraints for which the irregular modes propagate in the bulk are the same constraints for which such divergent local terms cancel out. In this situation, the addition of counterterms is not required. We also show that there exist particular cases for which the unitarity bound is reached, and the conformai dimension becomes independent of the effective mass. This phenomenon has no bulk counterpart.

Urbach energy parameter of flash evaporated amorphous gallium arsenide films

The dependence of the optical absorption edge on the deposition crucible temperature is used to investigate the electronic states in As-rich a-GaAs flash evaporated films. The Urbach energy parameter, determined from photothermal deflection spectroscopy (PDS), presents large correlated variations with crucible temperature. The optical and electrical results are consistent with the As under coordinated sites being the more important defect in the material. © 2002 Elsevier Science B.V. All rights reserved.