Desenvolvimento de um código computacional para simulação e análise de espectros atômicos

The aim of this work was the development a computer code for simulation and analysis of atomic spectra from databases constructed from the literature. There were created four routines that can be useful for spectroscopic studies in the atomic processes of laser isotope separation. In the first routine, Possible Transitions, the program checks the possible electron transitions from an energy level of the atom present in the database considering the selection rules for an electric dipole transition. The second routine, Locator Transitions, checks the possible electronic transitions within a user-specified spectral region. The routine Spectra Simulator creates simulated spectra using the graphical application gnuplot through lorentzian curve and finally, the routine Electronic Temperature determines the temperature of electronic excitation of the atom, thought the Boltzmann Plot Method. To test the reliability of the program there were obtained experimental emission spectra of a hollow cathode discharge of dysprosium and argon as a buffer gas. The hollow cathode discharge has been subjected to different values of operating currents and pressure of inert gas. The spectra obtained were treated with the assistance of program routines developed (Transition Locator and Spectra Simulator) and temperatures electronic excitation of the atoms of dysprosium in the different discharge conditions were calculated (routine Electronic Temperature). The results showed that the electronic excitation temperature of the neutral dysprosium atoms in the hollow cathode discharge increases with increasing current applied to the cathode and also by increasing the gas pressure buffer. The determination coefficients, R2, obtained by the Electronic Temperature routine using the linear adjust of the Boltzmann Plot Method were greater... (Complete abstract click electronic access below)

Protein-Ion Binding Process on Finite Macromolecular Concentration. A Poisson-Boltzmann and Monte Carlo Study

Conselho Nacional de Desenvolvimento Científico e Tecnológico (CNPq)

pK determination. A mean field, Poisson-Boltzmann approach

A model describing dissociation of monoprotonic acid and a method for the determination of its pK value are presented. The model is based on a mean field approximation. The Poisson-Boltzmann equation, adopting spherical symmetry, is numerically solved, and the solution of its linearized form is written. By use of the pH values of a dilution experiment of galacturonic acid as the entry data, the proposed method allowed estimation of the value of pK = 3.25 at a temperature of 25 degrees C. Values for the complex dimensions and dissociation degree are calculated using experimental pH values for solution concentration values ranging from 0.1 to 60 mM. The present analysis leads to the conclusion that the Poisson-Boltzmann equation or its linear form is equally suited for the description of such systems.

Podolsky electromagnetism at finite temperature: Implications on the Stefan-Boltzmann law

Conselho Nacional de Desenvolvimento Científico e Tecnológico (CNPq)

Efeitos agudos do tabagismo sobre a modulação autonômica: análise por meio do plot de poincaré

FUNDAMENTO: O tabagismo altera a função autonômica. OBJETIVO: Investigar os efeitos agudos do tabagismo sobre a modulação autonômica e a recuperação dos índices de variabilidade de frequência cardíaca (VFC) pós-fumo, por meio do plot de Poincaré e índices lineares. MÉTODOS: Foram avaliados 25 fumantes jovens, os quais tiveram a frequência cardíaca analisada, batimento a batimento, na posição sentada, após 8 horas de abstinência, por 30 minutos em repouso, 20 minutos durante o fumo e 30 minutos pós-fumo. Análise de variância para medidas repetidas, seguido do teste de Tukey, ou teste de Friedman seguido do teste de Dunn foram aplicados dependendo da normalidade dos dados, com p < 0,05. RESULTADOS: Durante o fumo, houve redução dos índices SD1 (23,4 ± 9,2 vs 13,8 ± 4,8), razão SD1/SD2 (0,31 ± 0,08 vs 0,2 ± 0,04), RMSSD (32,7 ± 13 vs 19,1 ± 6,8), SDNN (47,6 ± 14,8 vs 35,5 ± 8,4), HFnu (32,5 ± 11,6 vs 19 ± 8,1) e do intervalo RR (816,8 ± 89 vs 696,5 ± 76,3) em relação ao repouso, enquanto que aumentos do índice LFnu (67,5 ± 11,6 vs 81 ± 8,1) e da razão LF/HF (2,6 ± 1,7 vs 5,4 ± 3,1) foram observados. A análise visual do plot mostrou menor dispersão dos intervalos RR durante o fumo. Com exceção da razão SD1/SD2, os demais índices apresentaram recuperação dos valores, 30 minutos após o tabagismo. CONCLUSÃO: O tabagismo produziu agudamente modificações no controle autonômico, caracterizadas por ativação simpática e retirada vagal, com recuperação 30 minutos após o fumo.

Species richness of pteridophytes in a montane Atlantic rain forest plot of Southern Brazil

Coordenação de Aperfeiçoamento de Pessoal de Nível Superior (CAPES)

Solution of the Poisson-Boltzmann equation for a system with four ionic species

The analytical solution of the Poisson-Boltzmann equation in an electrolyte with four ionic species (2:2:1:1), in the presence of a charged planar membrane or surface is presented. The function describing the mean electrical potential provides a convenient description that helps the understanding of electrical processes of biological interest.

INTEGRATION OF THE NONLINEAR POISSON BOLTZMANN-EQUATION FOR CHARGED VESICLES IN ELECTROLYTIC SOLUTIONS

The Poisson-Boltzmann equation (PBE), with specific ion-surface interactions and a cell model, was used to calculate the electrostatic properties of aqueous solutions containing vesicles of ionic amphiphiles. Vesicles are assumed to be water- and ion-permeable hollow spheres and specific ion adsorption at the surfaces was calculated using a Volmer isotherm. We solved the PBE numerically for a range of amphiphile and salt concentrations (up to 0.1 M) and calculated co-ion and counterion distributions in the inside and outside of vesicles as well as the fields and electrical potentials. The calculations yield results that are consistent with measured values for vesicles of synthetic amphiphiles.

pH at the micellar interface: Synthesis of pH probes derived from salicylic acid, acid-base dissociation in sodium dodecyl sulfate micelles, and Poisson-Boltzmann simulation

The study of the H+ concentration at the micellar interface is a convenient system for modeling the distribution of H+ at interfaces. We have synthesized salicylic acid derivatives to analyze the proton dissociation of both the carboxylic and phenol groups of' the probes, determining spectrophotometrically the apparent pK(a)'s (pK(ap)) in sodium dodecyl Sulfate, SDS, micelles with and without added salt. The synthesized probes were 2-hydroxy-5-(2-trimethylammoniumacetyl)benzoate; 2-hydroxy-5-(2-dimethylhexadecylammoniumacetyl)benzoate- 2-hydroxy-5-(2-dimethylhexadecylammoniumhexanoyl)benzoate-, 2-hydroxy-5-(2-diniethylhexadecylammoniumundecanoyl)betizoate; 2-hydroxy-5-acetylbenzoic acids and 2-hydroxy-5-dodecanoylbenzoic acid. Upon incorporation into SDS micelles the pK(ap)'s of both carboxylic and phenol groups increased by ca. 3 pH units and NaCl addition caused a decrease in the probe-incorporated pKap. The experimental results were fitted with a cell model Poisson-Boltzmann (P-B) equation taking in consideration the effect of salt on the aggregation number of SDS and using the distance of' the dissociating group as a parameter. The conformations of the probes were analyzed theoretically using two dielectric constants, e.g., 2 and 78. Both the P-B analysis and conformation calculations can be interpreted by assuming that the acid groups dissociate very close to, or at, the interface. Our results are consistent with the assumption that the intrinsic pK(a)'s of both carboxylic and phenol groups of the salicylic acid probes used here can be taken as those in water. Using this assumption the micellar and salt effects on the pKap's of the (trialkylammonium)benzoate probes were described accurately using a cell model P-B analysis. (c) 2005 Elsevier B.V. All rights reserved.

Effect of different plot coverings on emergence and early development of seven palm species (arecaceae)

The Arecaceae family comprises plants with economical importance in many Brazilian regions, for agricultural exploration or for landscaping. In great portion, species of this family present low germination velocity and percentage. This work meant to evaluate the germination and early development of seven palm species (Archontophoenix alexandrae H. Wendl. et Drude, Copernicia prunifera (Miller) H.E. Moore, Latania commersonii Gmel., Livistona chinensis R. Br., Syagrus campos-portoana Bondar, Syagrus coronata (Mart.) Beccari, Syagrus picrophylla Barb. Rod.), submitted to three kinds of seed bed plot coverings. Three 10 x 2 m seedbeds were built and filled with a mixture of sand, soil and chicken manure (1:3:0.5 proportion), where two lines were sown with each specie. On top of each seedbed, plastic covering and fifty percent screen were set allowing one third of the seedbed to full sunlight exposure. Seedbeds were irrigated by dripping system. All species had the same germination rate, regardless of the covering, by the end of the experiment (146 days after sowing), eventhough, A. alexandrae under plastic covering conditions, L. commersonii at full sunlight exposure and Syagrus campos-portoana under fifty percent shade, had reached that percentage around 51 days after sowing. The remaining species reached the greatest germination percentage earlier with some of the coverings, rather than at full sunlight exposure. For the studied conditions, covering type had no effect in leaf length and width. For leaf number, there was interaction between species x covering type for Livistona chinensis and Copernicia prunifera.

Poincaré plot indexes of heart rate variability: Relationships with other nonlinear variables

The Poincaré plot for heart rate variability analysis is a technique considered geometrical and non-linear, that can be used to assess the dynamics of heart rate variability by a representation of the values of each pair of R-R intervals into a simplified phase space that describes the system's evolution. The aim of the present study was to verify if there is some correlation between SD1, SD2 and SD1/SD2 ratio and heart rate variability nonlinear indexes either in disease or healthy conditions. 114 patients with arterial coronary disease and 65 healthy subjects underwent 30. minute heart rate registration, in supine position and the analyzed indexes were as follows: SD1, SD2, SD1/SD2, Sample Entropy, Lyapunov Exponent, Hurst Exponent, Correlation Dimension, Detrended Fluctuation Analysis, SDNN, RMSSD, LF, HF and LF/HF ratio. Correlation coefficients between SD1, SD2 and SD1/SD2 indexes and the other variables were tested by the Spearman rank correlation test and a regression analysis. We verified high correlation between SD1/SD2 index and HE and DFA (α1) in both groups, suggesting that this ratio can be used as a surrogate variable. © 2013 Elsevier B.V.

Variabilidade da frequência cardíaca como ferramenta de análise da função autonômica de tabagistas: revisão de literatura e estudo do plot de Poincaré

Coordenação de Aperfeiçoamento de Pessoal de Nível Superior (CAPES)

Aplicação da equação de Paisson-Boltzmann com condição de contorno para regulação carga-potencial a sistemas polieletrolíticos

Coordenação de Aperfeiçoamento de Pessoal de Nível Superior (CAPES)

Fractal scaling exponents of heart rate variability association with linear indices and Poincaré Plot

The literature indicated that the fractal analysis of heart rate variability (HRV) is related to the chaos theory. However, it is not clear if the both short and long-term fractal scaling exponents of HRV are reliable for short period analysis in women. We evaluated the association of the fractal exponents of HRV with the time and frequency domain and geometric indices of HRV. We evaluated 65 healthy women between 18 and 30 years old. HRV was analyzed with a minimal number of 256 RR intervals in the time (SDNN, RMSSD, NN50 and pNN50) and frequency (LF, HF and LF/HF ratio) domains, the geometric index were also analyzed (triangular indexRRtri, triangular interpolation of RR intervals-TINN and Poincaré plot-SD1, SD2 and SD1/SD2) as well as short and long-term fractal exponents (alpha-1 and alpha-2) of the detrended fluctuation analysis (DFA). No significant correlation was observed for alpha-2 exponent with all indices. There was significant correlation of the alpha-1 exponent with RMSSD, pNN50, SDNN/RMSSD, LF (nu), HF (nu and ms2 ), LF/HF ratio, SD1 and SD1/SD2 ratio. Our data does not indicate the alpha-2 exponent to be used for 256 RR intervals and we support the alpha-1 exponent to be used for HRV analysis in this condition.

Structure, diversity, and spatial patterns in a permanent plot of a high Restinga forest in Southeastern Brazil

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