Automatic identification of terpenoid skeletons by feed-forward neural networks

Feed-forward neural networks (FFNNs) were used to predict the skeletal type of molecules belonging to six classes of terpenoids. A database that contains the (13)C NMR spectra of about 5000 compounds was used to train the FFNNs. An efficient representation of the spectra was designed and the constitution of the best FFNN input vector format resorted from an heuristic approach. The latter was derived from general considerations on terpenoid structures. (c) 2006 Elsevier B.V. All rights reserved.

Necessary and sufficient condition for generalized passivity, passification and application to multivariable adaptive systems

Recently, a generalized passivity concept for linear multivariable systems was obtained which allows circumventing the restrictiveness of the usual passivity concept. The latter is associated with the classical SPR (Strictly Positive Real) condition whereas the new concept of passivity is associated with the so called WSPR condition and its advantage in multivariable systems is that it does not require a restrictive symmetry condition of SPR systems. As a result, it allows the design of multivariable adaptive control that, unlike some existing factorization approaches, does not imply in additional overparameterization of the adaptive controller. In this paper, we complete a previously established WSPR sufficient condition and prove that it is also necessary. We also propose some methods of passification by either premultiplying the system output tracking error vector or the system input vector by an adequate passifying matrix multiplier, so that the resulting input/output transfer function becomes WSPR. The efficiency of our proposals are illustrated by simulation utilizing a well known robotics adaptive visual servoing problem. © 2011 IFAC.

O uso de rede neural artificial MLP na predição de estruturas secundárias de proteínas

Coordenação de Aperfeiçoamento de Pessoal de Nível Superior (CAPES)

Variable speed refrigeration system with HPF input rectifier stage

This paper is based on the analysis and implementation of a new drive system applied to refrigeration systems, complying with the restrictions imposed by the IEC standards (Harmonic/Flicker/EMI-Electromagnetic Interference restrictions), in order to obtain high efficiency, high power factor, reduced harmonic distortion in the input current and reduced electromagnetic interference, with excellent performance in temperature control of a refrigeration prototype system (automatic control, precision and high dynamic response). The proposal is replace the single-phase motor by a three-phase motor, in the conventional refrigeration system. In this way, a proper control technique can be applied, using a closed-loop (feedback control), that will allow an accurate adjustment of the desirable temperature. The proposed refrigeration prototype uses a 0.5Hp three-phase motor and an open (Belt-Drive) Bitzer IY type compressor. The input rectifier stage's features include the reduction in the input current ripple, the reduction in the output voltage ripple, the use of low stress devices, low volume for the EMI input filter, high input power factor (PF), and low total harmonic distortion (THD) in the input current, in compliance with the IEC61000-3-2 standards. The digital controller for the output three-phase inverter stage has been developed using a conventional voltage-frequency control (scalar V/f control), and a simplified stator oriented Vector control, in order to verify the feasibility and performance of the proposed digital controls for continuous temperature control applied at the refrigerator prototype. ©2008 IEEE.

Learning kernels for support vector machines with polynomial powers of sigmoid

In the pattern recognition research field, Support Vector Machines (SVM) have been an effectiveness tool for classification purposes, being successively employed in many applications. The SVM input data is transformed into a high dimensional space using some kernel functions where linear separation is more likely. However, there are some computational drawbacks associated to SVM. One of them is the computational burden required to find out the more adequate parameters for the kernel mapping considering each non-linearly separable input data space, which reflects the performance of SVM. This paper introduces the Polynomial Powers of Sigmoid for SVM kernel mapping, and it shows their advantages over well-known kernel functions using real and synthetic datasets.

Resonances and subharmonic bifurcations of large amplitude periodic orbits of planar polynomial vector fields

In this work are studied periodic perturbations, depending on two parameters, of planar polynomial vector fields having an annulus of large amplitude periodic orbits, which accumulate on a symmetric infinite heteroclinic cycle. Such periodic orbits and the heteroclinic trajectory can be seen only by the global consideration of the polynomial vector fields on the whole plane, and not by their restriction to any compact set. The global study involving infinity is performed via the Poincare Compactification. It is shown that, for certain types of periodic perturbations, one can seek, in a neighborhood of the origin in the parameter plane, curves C-(m) of subharmonic bifurcations, for which the periodically perturbed system has subharmonics of order m, for any integer m.

Periodic perturbations of quadratic planar polynomial vector fields

Coordenação de Aperfeiçoamento de Pessoal de Nível Superior (CAPES)

Attraction of the cutaneous leishmaniasis vector Nyssomyia neivai (Diptera: Psychodidae) to host odour components in a wind tunnel

Background: Laboratory studies of host-seeking olfactory behaviour in sandflies have largely been restricted to the American visceral leishmaniasis vector Lutzomyia longipalpis. In comparison, almost nothing is known about the chemical ecology of related species, which transmit American cutaneous leishmaniasis (ACL), due in part to difficulties in raising these insects in the laboratory. Understanding how ACL vectors locate their hosts will be essential to developing new vector control strategies to combat this debilitating disease.Methods: This study examined host-odour seeking behaviour of the ACL vector Nyssomyia neivai (Pinto) (=Lutzomyia neivai) using a wind tunnel olfactometer. The primary aim was to determine whether field-collected female N. neivai would respond to host odours in the laboratory, thereby eliminating the need to maintain colonies of these insects for behavioural experiments. Responses to two key host odour components, 1-octen-3-ol and lactic acid, and a commercially-available mosquito lure (BG-Lure (TM)) were assessed and compared relative to an air control. We also tested whether trials could be conducted outside of the normal evening activity period of N. neivai without impacting on fly behaviour, and whether the same flies could be used to assess baseline responses to air without affecting responses to octenol, thereby reducing the number of flies required for experiments.Results: Octenol was found to both activate host-seeking behaviour and attract female N. neivai in the wind tunnel, while lactic acid elicited weaker responses of activation and attractiveness under identical conditions. The BG-Lure did not activate or attract N. neivai under test conditions. Further experiments showed that sandfly behaviour in the wind tunnel was not affected by time of day, such that experiments need not be restricted to nocturnal hours. Moreover, using the same flies to measure both baseline responses to air and attraction to test compounds did not affect odour-seeking behaviour.Conclusions: The results of this study demonstrate that N. neivai taken from the field are suitable for use in laboratory olfactometer experiments. It is hoped this work will facilitate further research into chemical ecology of this species, and other ACL vectors.

On 3-Parameter Families of Piecewise Smooth Vector Fields in the Plane

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

Bounded solutions of fermions in the background of mixed vector-scalar inversely linear potentials

The problem of a fermion subject to a general mixing of vector and scalar potentials in a two-dimensional world is mapped into a Sturm-Liouville problem. Isolated bounded solutions are also searched. For the specific case of an inversely linear potential, which gives rise to an effective Kratzer potential in the Sturm-Liouville problem, exact bounded solutions are found in closed form. The case of a pure scalar potential with their isolated zero-energy solutions, already analyzed in a previous work, is obtained as a particular case. The behavior of the upper and lower components of the Dirac spinor is discussed in detail and some unusual results are revealed. The nonrelativistic limit of our results adds a new support to the conclusion that even-parity solutions to the nonrelativistic one-dimensional hydrogen atom do not exist. (c) 2004 Elsevier B.V. All rights reserved.

Effects of a mixed vector-scalar screened coulomb potential for spinless particles

The problem of a spinless particle subject to a general mixing of vector and scalar screened Coulomb potentials in a two-dimensional world is analyzed and its bounded solutions are found. Some unusual results, including the existence of a bona fide solitary zero-eigenmode solution, are revealed for the Klein-Gordon equation. The cases of pure vector and scalar potentials, already analyzed in previous works, are obtained as particular cases.

Unified treatment of mixed vector-scalar screened Coulomb potentials for fermions

The problem of a fermion subject to a general mixing of vector and scalar screened Coulomb potentials in a two-dimensional world is analyzed and quantization conditions are found.

Bounded solutions of fermions in the background of mixed vector-scalar Poeschl-Teller-like potentials

The problem of a fermion subject to a convenient mixing of vector and scalar potentials in a two-dimensional space-time is mapped into a Sturm-Liouville problem. For a specific case which gives rise to an exactly solvable effective modified Poschl-Teller potential in the Sturm-Liouville problem, bound-state solutions are found. The behaviour of the upper and lower components of the Dirac spinor is discussed in detail and some unusual results are revealed. The Dirac delta potential as a limit of the modified Poschl-Teller potential is also discussed. The problem is also shown to be mapped into that of massless fermions subject to classical topological scalar and pseudoscalar potentials. Copyright (C) EPLA, 2007.

Ghost free dual vector theories in 2+1 dimensions

We explore here the issue of duality versus spectrum equivalence in dual theories generated through the master action approach. Specifically we examine a generalized self-dual (GSD) model where a Maxwell term is added to the self-dual model. A gauge embedding procedure applied to the GSD model leads to a Maxwell-Chern-Simons (MCS) theory with higher derivatives. We show here that the latter contains a ghost mode contrary to the original GSD model. By figuring out the origin of the ghost we are able to suggest a new master action which interpolates between the local GSD model and a nonlocal MCS model. Those models share the same spectrum and are ghost free. Furthermore, there is a dual map between both theories at classical level which survives quantum correlation functions up to contact terms. The remarks made here may be relevant for other applications of the master action approach.

Relativistic effects of mixed vector-scalar-pseudoscalar potentials for fermions in 1+1 dimensions

The problem of fermions in the presence of a pseudoscalar plus a mixing of vector and scalar potentials which have equal or opposite signs is investigated. We explore all the possible signs of the potentials and discuss their bound-state solutions for fermions and antifermions. The cases of mixed vector and scalar Poschl-Teller-like and pseudoscalar kink-like potentials, already analyzed in previous works, are obtained as particular cases.