Designing Novel Antitrypanosomal Agents from a Mixed Graph-Theoretical Substructural Approach

Chagas disease is nowadays the most serious parasitic health problem. This disease is caused by Trypanosoma cruzi. The great number of deaths and the insufficient effectiveness of drugs against this parasite have alarmed the scientific community worldwide. In an attempt to overcome this problem, a model for the design and prediction of new antitrypanosomal agents was obtained. This used a mixed approach, containing simple descriptors based on fragments and topological substructural molecular design descriptors. A data set was made up of 188 compounds, 99 of them characterized an antitrypanosomal activity and 88 compounds that belong to other pharmaceutical categories. The model showed sensitivity, specificity and accuracy values above 85%. Quantitative fragmental contributions were also calculated. Then, and to confirm the quality of the model, 15 structures of molecules tested as antitrypanosomal compounds (that we did not include in this study) were predicted, taking into account the information on the abovementioned calculated fragmental contributions. The model showed an accuracy of 100% which means that the ""in silico"" methodology developed by our team is promising for the rational design of new antitrypanosomal drugs. (C) 2009 Wiley Periodicals, Inc. J Comput Chem 31: 882-894. 2010

Low cost BIST techniques for linear and non-linear analog circuits

With the ever increasing demands for high complexity consumer electronic products, market pressures demand faster product development and lower cost. SoCbased design can provide the required design flexibility and speed by allowing the use of IP cores. However, testing costs in the SoC environment can reach a substantial percent of the total production cost. Analog testing costs may dominate the total test cost, as testing of analog circuits usually require functional verification of the circuit and special testing procedures. For RF analog circuits commonly used in wireless applications, testing is further complicated because of the high frequencies involved. In summary, reducing analog test cost is of major importance in the electronic industry today. BIST techniques for analog circuits, though potentially able to solve the analog test cost problem, have some limitations. Some techniques are circuit dependent, requiring reconfiguration of the circuit being tested, and are generally not usable in RF circuits. In the SoC environment, as processing and memory resources are available, they could be used in the test. However, the overhead for adding additional AD and DA converters may be too costly for most systems, and analog routing of signals may not be feasible and may introduce signal distortion. In this work a simple and low cost digitizer is used instead of an ADC in order to enable analog testing strategies to be implemented in a SoC environment. Thanks to the low analog area overhead of the converter, multiple analog test points can be observed and specific analog test strategies can be enabled. As the digitizer is always connected to the analog test point, it is not necessary to include muxes and switches that would degrade the signal path. For RF analog circuits, this is specially useful, as the circuit impedance is fixed and the influence of the digitizer can be accounted for in the design phase. Thanks to the simplicity of the converter, it is able to reach higher frequencies, and enables the implementation of low cost RF test strategies. The digitizer has been applied successfully in the testing of both low frequency and RF analog circuits. Also, as testing is based on frequency-domain characteristics, nonlinear characteristics like intermodulation products can also be evaluated. Specifically, practical results were obtained for prototyped base band filters and a 100MHz mixer. The application of the converter for noise figure evaluation was also addressed, and experimental results for low frequency amplifiers using conventional opamps were obtained. The proposed method is able to enhance the testability of current mixed-signal designs, being suitable for the SoC environment used in many industrial products nowadays.

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.

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.

Klein-Gordon particles in mixed vector-scalar inversely linear potentials

The problem of a spinless particle subject to a general mixing of vector and scalar inversely linear potentials in a two-dimensional world is analyzed. Exact bounded solutions are found in closed form by imposing boundary conditions on the eigenfunctions which ensure that the effective Hamiltonian is Hermitian for all the points of the space. 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) 2005 Elsevier B.V. All rights reserved.

Confinement of fermions by mixed vector-scalar linear potentials in two-dimensional space-time

The problem of confinement of fermions in 1 + 1 dimensions is approached with a linear potential in the Dirac equation by considering a mixing of Lorentz vector and scalar couplings. Analytical bound-states solutions are obtained when the scalar coupling is of sufficient intensity compared to the vector coupling. (C) 2002 Elsevier B.V. B.V. All rights reserved.

Bound states of the Duffin-Kemmer-Petiau equation with a mixed minimal-nonminimal vector cusp potential

Conselho Nacional de Desenvolvimento Científico e Tecnológico (CNPq)

Scattering and bound states of spinless particles in a mixed vector-scalar smooth step potential

Conselho Nacional de Desenvolvimento Científico e Tecnológico (CNPq)

A Weak Maximum Principle for Optimal Control Problems with Nonsmooth Mixed Constraints

Conselho Nacional de Desenvolvimento Científico e Tecnológico (CNPq)

A transmission problem for the Timoshenko system

In this work we study a transmission problem for the model of beams developed by S.P. Timoshenko [10]. We consider the case of mixed material, that is, a part of the beam has friction and the other is purely elastic. We show that for this type of material, the dissipation produced by the frictional part is strong enough to produce exponential decay of the solution, no matter how small is its size. We use the method of energy to prove exponential decay for the solution.

Finding invariant tori in the problem of a periodically corrugated waveguide

Some dynamic properties for a light ray suffering specular reflections inside a periodically corrugated waveguide are studied. The dynamics of the model is described in terms of a two dimensional nonlinear area preserving map. We show that the phase space is mixed in the sense that there are KAM islands surrounded by a large chaotic sea that is confined by two invariant spanning curves. We have used a connection with the Standard Mapping near a transition from local to global chaos and found the position of these two invariant spanning curves limiting the size of the chaotic sea as function of the control parameter.

Dynamical properties for the problem of a particle in an electric field of wave packet: Low velocity and relativistic approach

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