A theoretical study on cytosine tautomers in aqueous media by using continuum models

B3LYP/6-31 + + G** and MP2/6-31 + + G** calculations have been carried out to study six tautomers of the nucleic acid base cytosine in aqueous media. Solvent effects have been analyzed using the self-consistent reaction field theory with two continuum methods. Relative stabilities and optimized geometries have been calculated for the tautomers and compared with experimental data. The present results show the importance of electrostatic solvent effects in determining observable properties of the cytosine tautomers. The amino-oxo form (C1) is the most abundant tautomer in aqueous media while the other amino-oxo form (C4) is the most energetically favored when solvent effects are included. These results can be justified by the larger values of the dipole moments for both C1 and C4 tautomers. Theoretical and experimental results of the harmonic vibrational frequencies and rotational constants show good agreement. (C) 2000 Elsevier B.V. B.V. All rights reserved.

Density functional study of the 5-methylcytosine tautomers

B3LYP/6-31++G** calculations to study seven tautomers of 5-methylcytosine in aqueous media have been carried out. Optimized geometries and relative stabilities for the different tautomers have been calculated in the gas phase, including interaction with two discrete water molecules and taking into account the solvent effects by using the self-consistent reaction field theory. The role of specific and bulk contributions of solvent effect on the observable properties of the 5-methylcytosine is clarified. The amino-oxo form is the most abundant tautomer in aqueous media. A reaction pathway connecting amino-oxo and amino-hydroxy forms along the corresponding transition structures has been characterized. Good agreement between theoretical and available experimental results of harmonic vibration frequencies is found. (C) 2001 Elsevier B.V. B.V. All rights reserved.

PT-symmetric kinks

Some kinks for non-Hermitian quantum field theories in 1+1 dimensions are constructed. A class of models where the soliton energies are stable and real are found. Although these kinks are not Hermitian, they are symmetric under PT transformations.

Estimativa populacional e uso do hábitat do boto-cinza (Sotalia guianensis) no litoral sul do Rio Grande do Norte

Four areas are known as of frequent usage by Guiana dolphins (Sotalia guianensis) in the south coast of Rio Grande do Norte state, northeast Brazil: Tabatinga, Pipa, Lagoa de Guaraíras and Baia Formosa. This extension of 40 km of shoreline is under increasing anthropogenic impacts due to continuous development of the coastal areas and vessel traffic. The objective of this study was to investigate aspects of population biology and habitat use of the population of Sotalia guianensis in the south coast of Rio Grande do Norte. It was applied the photo-identification technique and posterior methods of capture-recapture for population estimation (POPAN extension in MARK). The distribution, movement and site fidelity of the dolphins were analyzed trough the geographic information system (GIS) and group characteristics and behavior trough non-parametric statistics. Field work was conducted on board a 10m motor vessel from March 2008 to March 2009. Photo-identification effort was 329h with 113h of direct observation of the dolphins. The population estimatives for each area: Tabatinga: 75 (63-92); Pipa 105 (88-129); Lagoa de Guaraíras: 27 (18-54) e Baia Formosa: 112 (89-129) individuals. Total population estimative was: 223 (192 a 297). High site fidelity was detected for only part of the population (<15%) as low site fidelity and transients individuals were also detected (>20%). It was observed frequent movements between Tabatinga, Lagoa de Guaraíras and Pipa, but not Baía Formosa. This suggests a division in two communities along this shore extension: one in Pipa and other in Baía Formosa. Group size was small, most groups with up to 10 dolphins. The areas were use intensively, only in Lagoa de Guaraíras dolphins were not seen in all field trips. Lagoa de Guaraíras is an area used by small groups exclusively for foraging. In Tabatinga and Pipa dolphins concentrated close to the shore, in the inner sector of the area and the main activity is also foraging. Significant larger groups were seen in socializing behavior but there was no difference in group size between the inner and external sectors of the area. The presence of calves and juveniles were significant greater in the inner areas of Tabatinga and Pipa, confirming the hypothesis that these beaches are also used for parental care. In Baia Formosa dolphins concentrated in the outer sector and foraging was also predominant. Significant larger groups were seen in the outer sector, mainly engaged in mixed behaviors of travel/foraging, possibly in some kind of group foraging. Calves and juveniles were significant more present in the outer sector where group size was also larger. In general there was no difference in area usage and period of the day. Sotalia guianensis has characteristics that make the species vulnerable to human activities such as small population concentrated in patches of suitable habitats restrict to coastal areas. We hope that this study bring new information for the species and help for the adequate management of the area in order to assure the presence of the dolphins as well as its behavior pattern and gene flow betweencommunities.

Generalized partition function zeros of 1D spin models and their critical behavior at edge singularities

Conselho Nacional de Desenvolvimento Científico e Tecnológico (CNPq)

Spin and pseudospin symmetries in the antinucleon spectrum of nuclei

Conselho Nacional de Desenvolvimento Científico e Tecnológico (CNPq)

Growth of SrBi4Ti4O15 thin films in a microwave oven by the polymeric precursor method

SrBi4Ti4O15 (SBTi) thin films were obtained by the polymeric precursor method and crystallized in a domestic microwave oven. For comparison, films were also crystallized in a conventional furnace at 700 degrees C for 2 h. Structural and morphological characterization of the SBTi thin films was investigated by X-ray diffraction (XRD) and atomic force microscopy (AFM), respectively. Using platinum coated silicon substrates configuration, ferroelectric properties of the films were determined with remanent\polarization P-r and a coercive field E-c of 5.1 mu C/cm(2) and 135 kV/cm for the film thermally treated in the microwave oven and 5.4 mu C/cm(2) and 85 kV/cm for the film thermally treated in conventional furnace, respectively. The films thermally treated in the conventional furnace exhibited excellent fatigue-free characteristics up to 10(10) switching cycles indicating that SBTi thin films can be a promise material for use in non-volatile memories. (C) 2007 Elsevier B.V. All rights reserved.

Effect of the microwave oven on structural, morphological and electrical properties of SrBi4Ti4O15 thin films grown on Pt/Ti/SiO2/Si substrates by a soft chemical method

Thin films of SrBi4Ti4O15 (SBTi), a prototype of the Bi-layered-ferroelectric oxide family, were obtained by a soft chemical method and crystallized in a domestic microwave oven. For comparison, films were also crystallized in a conventional method at 700 degrees C for 2 h. Structural and morphological characterization of the SBTi thin films were investigated by Xray diffraction (XRD) and atomic force microscopy (AFM), respectively. Using platinum coated silicon substrates, the ferroelectric properties of the films were determined. Remanent polarization P-r and a coercive field E-c values of 5.1 mu C/cm(2) and 135 kV/cm for the film thermally treated in the microwave oven and 5.4 mu C/cm(2) and 85 kv/cm for the film thermally treated in conventional furnace were found. The films thermally treated in the conventional furnace exhibited excellent fatigue-free characteristics up to 10(10) switching cycles indicating that SBTi thin films are a promising material for use in non-volatile memories. (C) 2007 Elsevier B.V. All rights reserved.

Termodinâmica de um gás de fótons no contexto de eletrodinâmicas não-lineares

The objective of this dissertation is the development of a general formalism to analyze the thermodynamical properties of a photon gas under the context of nonlinear electrodynamics (NLED). To this end it is obtained, through the systematic analysis of Maxwell s electromagnetism (EM) properties, the general dependence of the Lagrangian that describes this kind of theories. From this Lagrangian and in the background of classical field theory, we derive the general dispersion relation that photons must obey in terms of a background field and the NLED properties. It is important to note that, in order to achieve this result, an aproximation has been made in order to allow the separation of the total electromagnetic field into a strong background electromagnetic field and a perturbation. Once the dispersion relation is in hand, the usual Bose-Einstein statistical procedure is followed through which the thermodynamical properties, energy density and pressure relations are obtained. An important result of this work is the fact that equation of state remains identical to the one obtained under EM. Then, two examples are made where the thermodynamic properties are explicitly derived in the context of two NLED, Born-Infelds and a quadratic approximation. The choice of the first one is due to the vast appearance in literature and, the second one, because it is a first order approximation of a large class of NLED. Ultimately, both are chosen because of their simplicity. Finally, the results are compared to EM and interpreted, suggesting possible tests to verify the internal consistency of NLED and motivating further developement into the formalism s quantum case

Game theory in sugarcane crop residue and available energy optimization

This work proposes a mathematical model to aid variety selection and planting quantity of sugarcane in order to reduce crop residues, maximize energy generated by this residue, and satisfy all the supply of the mill. We propose Linear Programming with two objective. The conflict between these objectives allows the use of the Nonzero-sum Game Theory. (C) 2003 Elsevier B.V. Ltd. All rights reserved.

ON THREE-PARAMETER FAMILIES of FILIPPOV SYSTEMS - THE FOLD-SADDLE SINGULARITY

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

Galilean covariant Lagrangian models

We construct non-relativistic Lagrangian field models by enforcing Galilean covariance with a (4, 1) Minkowski manifold followed by a projection onto the (3, 1) Newtonian spacetime. We discuss scalar, Fermi and gauge fields, as well as interactions between these fields, preparing the stage for their quantization. We show that the Galilean covariant formalism provides an elegant construction of the Lagrangians which describe the electric and magnetic limits of Galilean electromagnetism. Similarly we obtain non-relativistic limits for the Proca field. Then we study Dirac Lagrangians and retrieve the Levy-Leblond wave equations when the Fermi field interacts with an Abelian gauge field.

Strength of the trilinear Higgs boson coupling in technicolor models

We discuss the strength of the trilinear Higgs boson coupling in technicolor (or composite) models in a model independent way. The coupling is determined as a function of a very general ansatz for the technicolor self-energy, and turns out to be equal or smaller than the one of the Standard Model Higgs boson depending on the dynamics of the theory. (c) 2006 Published by Elsevier B.V.

Nonequilibrium dynamics of quantum fields

The nonequilibrium effective equation of motion for a scalar background field in a thermal bath is studied numerically. This equation emerges from a microscopic quantum field theory derivation and it is suitable to a Langevin simulation on the lattice. Results for both the symmetric and broken phases are presented.

Pion interactions in the X(3872)

We consider pion interactions in an effective field theory of the narrow resonance X(3872), assuming it is a weakly bound molecule of the charm mesons D-0(D) over bar (*0) and D-*0(D) over bar (0). Since the hyperfine splitting of the D-0 and D-*0 is only 7 MeV greater than the neutral pion mass, pions can be produced near threshold and are nonrelativistic. We show that pion exchange can be treated in perturbation theory and calculate the next-to-leading-order correction to the partial decay width Gamma[X -> D-0(D) over bar (0)pi(0)].