Prediction of occurrences of diverse chemical classes in the Asteraceae through artificial neural networks

The training and the application of a neural network system for the prediction of occurrences of secondary metabolites belonging to diverse chemical classes in the Asteraceae is described. From a database containing about 604 genera and 28,000 occurrences of secondary metabolites in the plant family, information was collected encompassing nine chemical classes and their respective occurrences for training of a multi-layer net using the back-propagation algorithm. The net supplied as output the presence or absence of the chemical classes as well as the number of compounds isolated from each taxon. The results provided by the net from the presence or absence of a chemical class showed a 89% hit rate; by excluding triterpenes from the analysis, only 5% of the genera studied exhibited errors greater than 10%. Copyright (C) 2004 John Wiley Sons, Ltd.

ON THE INDEPENDENT-PARTICLE APPROXIMATION OF GAUGE-THEORIES - A SIMPLE EXAMPLE

In this work the independent particle model formulation is studied as a mean-field approximation of gauge theories using the path integral approach in the framework of quantum electrodynamics in 1 + 1 dimensions. It is shown how a mean-field approximation scheme can be applied to fit an effective potential to an independent particle model, building a straightforward relation between the model and the associated gauge field theory. An example is made considering the problem of massive Dirac fermions on a line, the so called massive Schwinger model. An interesting result is found, indicating a behaviour of screening of the charges in the relativistic limit of strong coupling. A forthcoming application of the method developed to confining potentials in independent quark models for QCD is in view and is briefly discussed.

Ps-H scattering using the three-state positronium close-coupling approximation

Positronium scattering off a hydrogen target has been studied employing a three-state positronium model close-coupling approximation (CCA) with and without electron exchange. Elastic, excitation and quenching cross sections are reported at low and medium energies. The effect of electron exchange is found to be significant at low energies. The ratio of quenching to the total cross section (the conversion ratio) approaches the value of 0.25 with increase of energy, as expected.

Chebyshev-Laurent polynomials and weighted approximation

Let (a, b) subset of (0, infinity) and for any positive integer n, let S-n be the Chebyshev space in [a, b] defined by S-n:= span{x(-n/2+k),k= 0,...,n}. The unique (up to a constant factor) function tau(n) is an element of S-n, which satisfies the orthogonality relation S(a)(b)tau(n)(x)q(x) (x(b - x)(x - a))(-1/2) dx = 0 for any q is an element of Sn-1, is said to be the orthogonal Chebyshev S-n-polynomials. This paper is an attempt to exibit some interesting properties of the orthogonal Chebyshev S-n-polynomials and to demonstrate their importance to the problem of approximation by S-n-polynomials. A simple proof of a Jackson-type theorem is given and the Lagrange interpolation problem by functions from S-n is discussed. It is shown also that tau(n) obeys an extremal property in L-q, 1 less than or equal to q less than or equal to infinity. Natural analogues of some inequalities for algebraic polynomials, which we expect to hold for the S-n-pelynomials, are conjectured.

Influence of the iron source on the solar photo-Fenton degradation of different classes of organic compounds

In this work the influence of two different iron sources, Fe(NO3)(3) and complexed ferrioxalate (FeOx), on the degradation efficiency of 4-chlorophenol (4CP), malachite green, formaldehyde, dichloroacetic acid (DCA) and the commercial products of the herbicides diuron and tebuthiuron was studied. The oxidation of 4CP, DCA, diuron and tebuthiuron shows a strong dependence on the iron source. While the 4CP degradation is favored by the use of Fe(NO3)(3), the degradation of DCA and the herbicides diuron and tebuthiuron is most efficient when ferrioxalate is used. on the other hand, the degradation of malachite green and formaldehyde is not very influenced by the iron source showing only a slight improvement when ferrioxalate is used. In the case of formaldehyde, DCA, diuron and tebuthiuron, despite of the additional carbon introduced by the use of ferrioxalate, higher mineralization percentages were observed, confirming the beneficial effect of ferrioxalate on the degradation of these compounds. The degradation of tebuthiuron was studied in detail using a shallow pond type solar flow reactor of 4.5 L capacity and 4.5 cm solution depth. Solar irradiation of tebuthiuron at a flow rate of 9 L h(-1), in the presence of 10.0 mmol L-1 H2O2 and 1.0 mmol L-1 ferrioxalate resulted in complete conversion of this herbicide and 70% total organic carbon removal. (c) 2005 Elsevier Ltd. All rights reserved.

On some classes of exactly-solvable Klein-Gordon equations

In this work we discuss some exactly solvable Klein-Gordon equations. We basically discuss the existence of classes of potentials with different nonrelativistic limits, but which shares the intermediate effective Schroedinger differential equation. We comment about the possible use of relativistic exact solutions as approximations for nonrelativistic inexact potentials. (c) 2005 Elsevier B.V. All rights reserved.

Documenting the advantages and limitations of different classes of molecular markers in a well-established phylogeographic context: lessons from the Iberian endemic Golden-striped salamander, Chioglossa lusitanica (Caudata: Salamandridae)

Previous analyses of mitochondrial (mt)DNA and allozymes covering the range of the Iberian endemic golden-striped salamander, Chioglossa lusitanica, suggested a Pleistocene split of the historical species distribution into two population units (north and south of the Mondego river), postglacial expansion into the northernmost extant range, and secondary contact with neutral diffusion of genes close to the Mondego river. We extended analysis of molecular variation over the species range using seven microsatellite loci and the nuclear P-fibrinogen intron 7 (beta-fibint7). Both microsatellites and beta-fibint7 showed moderate to high levels of population structure, concordant with patterns detected with mtDNA and allozymes; and a general pattern of isolation-by-distance, contrasting the marked differentiation of two population groups suggested by mtDNA and allozymes. Bayesian multilocus analyses showed contrasting results as populations north and south of the Douro river were clearly differentiated based on microsatellites, whereas allozymes revealed differentiation north and south of the Mondego river. Additionally, decreased microsatellite variability in the north supported the hypothesis of postglacial colonization of this region. The well-documented evolutionary history of C. lusitanica, provides an excellent framework within which the advantages and limitations of different classes of markers can be evaluated in defining patterns of population substructure and inferring evolutionary processes across distinct spatio-temporal scales. The present study serves as a cautionary note for investigations that rely on a single type of molecular marker, especially when the organism under study exhibits a widespread distribution and complex natural history. (C) 2008 The Linnean Society of London, Biological Journal of the Linnean Society, 2008, 95, 371-387.

Integrable approximation to the overlap of resonances

We study the interaction of resonances with the same order in families of integrable Hamiltonian systems. This can occur when the unperturbed Hamiltonian is at least cubic in the actions. An integrable perturbation coupling the action-angle variables leads to the disappearance of an island through the coalescence of stable and unstable periodic orbits and originates a complex orbit plus an isolated cubic resonance. The chaotic layer that appears when a general term is added to the Hamiltonian survives even after the disappearance of the unstable periodic orbit. © 1992.

Interaction potential between vortex lines for uniaxial superconductors in the London approximation

Two distinct expressions of the interaction potential between arbitrarily oriented curved vortex lines with respect to the crystal c axis are derived within the London approximation. One of these expressions is used to compute the eigenvalues of the elasticity matrix. We examine the elastic properties of the vortex chain lattice, recently proposed, concerning shearing deformation.

Nonforward parton distributions of the pion within an effective single instanton approximation

We develop a relativistic quark model for pion structure, which incorporates the nontrivial structure of the vacuum of quantum chromodynamics as modelled by instantons. Pions are bound states of quarks and the strong quark-pion vertex is determined from an instanton induced effective Lagrangian. The interaction of the constituents of the pion with the external electromagnetic field is introduced in gauge invariant form. The parameters of the model, i.e., effective instanton radius and constituent quark mass, are obtained from the vacuum expectation values of the lowest dimensional quark and gluon operators and the low-energy observables of the pion. We apply the formalism to the calculation of the pion form factor by means of the isovector nonforward parton distributions and find agreement with the experimental data. © 2000 Elsevier Science B.V.

Off-Diagonal Quark Distributions in Pions in the Effective Single-Instanton Approximation

Nonperturbative functions that parametrize off-diagonal hadronic matrix elements of the light-cone leading-twist quark operators are considered. These functions are calculated within the proposed relativistic quark model allowing for the nontrivial structure of the QCD vacuum, special attention being given to gauge invariance. Hadrons are treated as bound states of quarks; strong-interaction quark-pion vertices are described by effective interaction Lagrangians generated by instantons. The parameters of the instanton vacuum, such as the effective radius of the instanton and the quark mass, are related to the vacuum expectation values of the quark-gluon operators of the lowest dimension and to low-energy pion observables. © 2000 MAIK Nauka/Interperiodica.

Classes of exact wave functions for general time-dependent Dirac Hamiltonians in 1+1 dimensions

The construction of two classes of exact solutions for the most general time-dependent Dirac Hamiltonian in 1+1 dimensions was discussed. The extension of solutions by introduction of a time-dependent mass was elaborated. The possibility of existence of a generalized Lewis-Riesenfeld invariant connected with such solutions was also analyzed.

Quantum propagator for some classes of three-dimensional three-body systems

In this work we solve exactly a class of three-body propagators for the most general quadratic interactions in the coordinates, for arbitrary masses and couplings. This is done both for the constant as the time-dependent couplings and masses, by using the Feynman path integral formalism. Finally, the energy spectrum and the eigenfunctions are recovered from the propagators. © 2005 Elsevier Inc. All rights reserved.