Antimicrobial activities of indole alkaloids from Tabernaemontana catharinensis

Tabernaemontana catharinensis root bark ethanol extract, EB2 fraction and the MMV alkaloid (12-methoxy-4-methylvoachalotine) were evaluated for their antimicrobial activities. T. catharinensis ethanol extract was effective against both strains of the dermatophyte Trichophyton rubrum at concentrations of 2.5 mg/mL (wild strain) and 1.25 mg/mL (mutant strain), while the EB2 fraction and MMV alkaloid showed a strong antifungal activity against wild and mutant strains with MIC values of <0.02 and 0.16 mg/mL, respectively. The EB2 fraction showed a strong antibacterial activity against ATCC strains of S. aureus, S. epidermidis, E. coli and P. aeruginosa with MICs from <0.02 to 0.04 mg/mL, as well as against resistant clinical isolates species of Enterococcus sp, Klebsiella oxytoca, Citrobacter, K. pneumoniae, P. mirabilis, S. aureus, S. epidermidis, E. coli and P. aeruginosa with MIC values ranging from 0.04 to 0.08 mg/mL. The MMV alkaloid presented a MIC of 0.16 mg/mL against the strains of S. aureus and E. coli ATCC. For the resistant clinical isolates Enterococcus sp, Citrobacter, S. aureus, S. epidermidis, E. coli and P. aeruginosa the MIC of MMV ranged from 0.08 to 0.31 mg/mL. The chromatography analysis of the EB2 fraction revealed the presence of indole alkaloids, including MMV, possibly responsible for the observed antimicrobial activity.     

Dynamics on certain sets of stochastic matrices

We study iteration of polynomials on symmetric stochastic matrices. In particular, we focus on a certain one-parameter family of quadratic maps which exhibits chaotic behavior for a wide range of the parameters. The well-known dynamical behavior of the quadratic family on the interval, and its dependence on the parameter, is reproduced on the spectrum of the stochastic matrices. For certain subclasses of stochastic matrices the referred dynamical behavior is also obtained in the matrix entries. Since a stochastic matrix characterizes a Markov chain, we obtain a discrete dynamical system on the space of reversible Markov chains. Therefore, depending on the parameter, there are initial conditions for which the corresponding reversible Markov chains will lead under iteration to a fixed point, to a periodic point, or to an aperiodic point. Moreover, there are sensitivity to initial conditions and the coexistence of infinite repulsive periodic orbits, both features of chaos.     

Surface holonomy for non-abelian 2-bundles via double groupoids

In the context of non-abelian gerbes, we define a cubical version of categorical group 2-bundles with connection over a smooth manifold. We address their two-dimensional parallel transport, study its properties, and construct non-abelian Wilson surface functionals.     

All-electron segmented contraction basis sets of triple zeta valence quality for the fifth-row elements

All-electron contracted Gaussian basis set of triple zeta valence quality plus polarisation functions (TZP) for the elements Cs, Ba, La, and from Hf to Rn is presented. Douglas–Kroll–Hess (DKH) basis set for fifth-row elements is also reported. We have recontracted the original TZP basis set, i.e., the values of the contraction coefficients are re-optimised using the second-order DKH Hamiltonian. By addition of diffuse functions (s, p, d, f, and g symmetries), which are optimised for the anion ground states, an augmented TZP basis set is constructed. Using the B3LYP hybrid functional, the performance of the TZP–DKH basis set is assessed for predicting atomic ionisation energy as well as spectroscopy constants of some compounds. Despite its compact size, this set demonstrates consistent, efficient, and reliable performance and will be especially useful in calculations of molecular properties that require explicit treatment of the core electrons.     

Tunneling rate for superparamagnetic particles by the instanton method

We derive the tunneling rate for paramagnetic molecules in the context of a collective spin model. By means of path integral methods, an analytical expression is derived. Given the very large spins in question (s3000), the observation of magnetization changes due to pure unitary tunnel effects is unlikely.     

Eigenvalues of matrix commutators

We characterize the eigenvalues of [X,A]=XA-AX, where A is an n by n fixed matrix and X runs over the set of the matrices of the same size.     

Monadic dynamic algebras

The main purpose of this work is to introduce the class of the monadic dynamic algebras (dynamic algebras with one quantifier). Similarly to a theorem of Kozen we establish that every separable monadic dynamic algebra is isomorphic to a monadic (possibly non‐standard) Kripke structure. We also classify the simple (monadic) dynamic algebras. Moreover, in the dynamic duality theory, we analyze the conditions under which a hemimorphism of a dynamic algebra into itself defines a quantifier. (© 2006 WILEY‐VCH Verlag GmbH & Co. KGaA, Weinheim)     

The algebraic Bethe ansatz for rational braid-monoid lattice models

In this paper we study isotropic integrable systems based on the braid-monoid algebra. These systems constitute a large family of rational multistate vertex models and are realized in terms of the B_n, C_nand D_n Lie algebra and by the superalgebra Osp(n||2m). We present a unified formulation of the quantum inverse scattering method for many of these lattice models. The appropriate fundamental commutation rules are found, allowing us to construct the eigenvectors and the eigenvaluesof the transfer matrix associated to the B_n, C_n, D_n, Osp(2nt-1||2), Osp(2||2nt-2), Osp(2nt-2||2) and Osp(1||2n) models. The corresponding Bethe ansatz equations can be formulated in terms of the root structure of the underlying algebra.     

High precision analysis of finlines on semiconductor substrate

In this study, the effect of the metallization thickness in finlines on semiconcuctor substrate is researched. The propagation parameters are computed to measure the inluence of the metallization. The theory and numerical results are presented to the propagation constant and characteristic impedance of the bilateral and unilateral finlines. The full wave analysis of the transverse transmission line — TTL method is used to determine the electromagnetic fields of the structure in Fourier transform domain — FTD. Applying the suitable boundary conditions, the moment method and expanding the fields in a set of suitable bases functions, a homogeneous matrix system is obtained and the propagation constant is computed. The characteristic impedance is obtained using the relation of the voltage in the slot and the transmitted power by the structure.Computational programs are developed to obtain numerical results to the propagation parameters composed by the propagation constant and characteristic impedance.This work received financial support by CAPES and CNPq.     

On a special class of bicriterion path problems

In this paper we are concerned with a special class of bicriterion path problems. For the considered class of bicriterion problems at least one of the objectives is type MAXMIN. For the other one, besides an objective type MAXMIN also a MINSUM and a MINRATIO type objective are considered. Two algorithms are presented for the considered class of bicriterion path problems. The first one only determines the minimal complete set of nondominated paths and the second one determines the entire set of nondominated paths. Both algorithms can be used for any type of bicriterion path problems, since one of the objectives is type MAXMIN and an algorithm exists to determine the best path for the other objective. Computational statistics for the three types of considered bicriterion path problems are also presented.