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.

New approaches in W gravities

We devote effort to studying some nonlinear actions, characteristic of W theories, in the framework of the soldering formalism. We disclose interesting new results concerning the embedding of the original chiral W particles in different metrical spaces in the final soldered action; i.e., the metric is modified by the soldering interference process. The results are presented in a weak field approximation for the W-N case when Ngreater than or equal to3 and also in an exact way for W-2. We promote a generalization of the interference phenomenon to W-N theories of different chiralities and show that the geometrical features introduced can yield a new understanding of the interference formalism in quantum field theories.

Self-energies for interacting fields with a compactified spatial dimension

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

The Yang-Lee edge singularity in spin models on connected and non-connected rings

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)

N=2 sigma models for Ramond-Ramond backgrounds

Using the U(4) hybrid formalism, manifestly N = (2,2) worldsheet supersymmetric sigma models are constructed for the type-IIB superstring in Ramond-Ramond backgrounds. The Kahler potential in these N = 2 sigma models depends on four chiral and antichiral bosonic superfields and two chiral and antichiral fermionic superfields. When the Kahler potential is quadratic, the model is a free conformal field theory which describes a flat ten-dimensional target space with Ramond-Ramond flux and non-constant dilaton. For more general Kahler potentials, the model describes curved target spaces with Ramond-Ramond flux that are not plane-wave backgrounds. Ricci-flatness of the Kahler metric implies the on-shell conditions for the background up to the usual four-loop conformal anomaly.

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)].

Massless and massive one-loop three-point functions in negative dimensional approach

In this article we present the complete massless and massive one-loop triangle diagram results using the negative dimensional integration method (NDIM). We consider the following cases: massless internal fields; one massive, two massive with the same mass m and three equal masses for the virtual particles. Our results are given in terms of hypergeometric and hypergeometric-type functions of the external momenta (and masses for the massive cases) where the propagators in the Feynman integrals are raised to arbitrary exponents and the dimension of the space-time is D. Our approach reproduces the known results; it produces other solutions as yet unknown in the literature as well. These new solutions occur naturally in the context of NDIM revealing a promising technique to solve Feynman integrals in quantum field theories.

Multitrace operators and the generalized AdS/CFT prescription

We show that multitrace interactions can be consistently incorporated into an extended AdS conformal field theory (CFT) prescription involving the inclusion of generalized boundary conditions and a modified Legendre transform prescription. We find new and consistent results by considering a self-contained formulation which relates the quantization of the bulk theory to the AdS/CFT correspondence and the perturbation at the boundary by double-trace interactions. We show that there exist particular double-trace perturbations for which irregular modes are allowed to propagate as well as the regular ones. We perform a detailed analysis of many different possible situations, for both minimally and nonminimally coupled cases. In all situations, we make use of a new constraint which is found by requiring consistency. In the particular nonminimally coupled case, the natural extension of the Gibbons-Hawking surface term is generated.

Hadronic interactions from effective chiral Lagrangians of quarks and gluons

Effective chiral Lagrangians involving constituent quarks, Goldstone bosons and long-distance gluons are believed to describe the strong interactions in an intermediate energy region between the confinement scale and the chiral symmetry breaking scale. Baryons and mesons in such a description are bound states of constituent quarks. We discuss the combined use of the techniques of effective chiral field theory and of the field theoretic method known as Fock-Tani representation to derive effective hadron interactions. The Fock-Tani method is based on a change of representation by means of a unitary transformation such that the composite hadrons are redescribed by elementary-particle field operators. Application of the unitary transformation on the microscopic quark-quark interaction derived from a chiral effective Lagrangian leads to chiral effective interactions describing all possible processes involving hadrons and their constituents. The formalism is illustrated by deriving the one-pion-exchange potential between two nucleons using the quark-gluon effective chiral Lagrangian of Manohar and Georgi. We also present the results of a study of the saturation properties of nuclear matter using this formalism.

Positivity violation for the lattice Landau gluon propagator

We present explicit numerical evidence of reflection-positivity violation for the lattice Landau gluon propagator in three-dimensional pure SU(2) gauge theory. We use data obtained at very large lattice volumes (V = 80(3), 140(3)) and for three different lattice couplings in the scaling region (beta = 4.2, 5.0, 6.0). In particular, we observe a clear oscillatory pattern in the real-space propagator C(t). We also verify that the (real-space) data show good scaling in the range t is an element of[0, 3]fm and can be fitted using a Gribov-like form. The violation of positivity is in contradiction with a stable-particle interpretation of the associated field theory and may be viewed as a manifestation of confinement.

Pure spinor formalism as an N=2 topological string

Following suggestions of Nekrasov and Siegel, a non-minimal set of fields are added to the pure spinor formalism for the superstring. Twisted (c) over cap = 3 N = 2 generators are then constructed where the pure spinor BRST operator is the fermionic spin-one generator, and the formalism is interpreted as a critical topological string. Three applications of this topological string theory include the super-Poincare covariant computation of multiloop superstring amplitudes without picture-changing operators, the construction of a cubic open superstring field theory without contact-term problems, and a new four-dimensional version of the pure spinor formalism which computes F-terms in the spacetime action.

Spinning Hopf solitons on S-3 x R

We consider a field theory with target space being the two dimensional sphere S-2 and defined on the space-time S-3 x R. The Lagrangean is the square of the pull-back of the area form on S-2. It is invariant under the conformal group SO(4, 2) and the infinite dimensional group of area preserving diffeomorphisms of S-2. We construct an infinite number of exact soliton solutions with non-trivial Hopf topological charges. The solutions spin with a frequency which is bounded above by a quantity proportional to the inverse of the radius of S-3. The construction of the solutions is made possible by an ansatz which explores the conformal symmetry and a U(1) subgroup of the area preserving diffeomorphism group.