909 resultados para FLEXIBLE DOCKING


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In the minimization of tool switches problem we seek a sequence to process a set of jobs so that the number of tool switches required is minimized. In this work different variations of a heuristic based on partial ordered job sequences are implemented and evaluated. All variations adopt a depth first strategy of the enumeration tree. The computational test results indicate that good results can be obtained by a variation which keeps the best three branches at each node of the enumeration tree, and randomly choose, among all active nodes, the next node to branch when backtracking.

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Presents the dynamic modelling of a flexible robotic manipulator with two flexible links and two revolute joints, which rotates in the horizontal plane. The dynamic equations are derived using the Newton-Euler formulation and the finite element method, based on elementary beam theory, which is used to discretize the displacements such that the small motion is represented in terms of nodal displacements. Computer simulation results are presented to illustrate this study. The dynamic model becomes necessary for use in future design and control applications.

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

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This paper presents an experimental technique for structural health monitoring (SHM) based on Lamb waves approach in an aluminum plate using piezoelectric material as actuators and sensors. Lamb waves are a form of elastic perturbation that remains guided between two parallel free surfaces, such as the upper and lower surfaces of a plate, beam or shelf. Lamb waves are formed when the actuator excites the surface of the structure with a pulse after receiving a signal. Two PZTs were placed in the plate surface and one of them was used to send a predefined wave through the structure. Thus, the other PZT (adjacent) becomes the sensor. Using this methodology, this paper presents one case of damage detection considering the aluminum plate in the free-free-free-free boundary condition. The damage was simulated by adding additional mass on the plate. It is proposed two damage detection indexes obtained from the experimental signal, involving the Fast Fourier Transform (FFT) and the power spectral density (PSD) that were computed using the output signal. The results show the viability of the presented methodology to damage detection in smart structures

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This paper is concerned with feedback vibration control of a lightly damped flexible structure that has a large number of well-separated modes. A single active electrical dynamic absorber is used to reduce a particular single vibration mode selectively or multiple modes simultaneously. The absorber is realized electrically by feeding back the structural acceleration at one position to a collocated piezoceramic patch actuator via a controller consisting of one or several second order lowpass filters. A simple analytical method is presented to design a modal control filter that is optimal in that it maximally flattens the mobility frequency response of the target mode, as well as robust in that it works within a prescribed maximum control spillover of 2 dB at all frequencies. Experiments are conducted with a free-free beam to demonstrate its ability to control any single mode optimally and robustly. It is also shown that an active absorber with multiple such filters can effectively control multiple modes simultaneously.

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This paper presents a simple but practical feedback control method to suppress the vibration of a flexible structure in the frequency range between 10 Hz and 1 kHz. A dynamic vibration absorber is designed for this, which has a natural frequency of 100 Hz and a normalized bandwidth (twice the damping ratio) of 9.9. The absorber is realized electrically by feeding back the structural acceleration at one position on the host structure to a collocated piezoceramic patch actuator via an analog controller consisting of a second-order lowpass filter. This absorber is equivalent to a single degree-of-freedom mechanical oscillator consisting of a serially connected mass-spring-damper system. A first-order lowpass filter is additionally used to improve stability at very high frequencies. Experiments were conducted on a free-free beam embedded with a piezoceramic patch actuator and an accelerometer at its center. It is demonstrated that the single absorber can simultaneously suppress multiple vibration modes within the control bandwidth. It is further shown that the control system is robust to slight changes in the plant. The method described can be applied to many other practical structures, after retuning the absorber parameters for the structure under control.

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Docking simulations have been used to assess protein complexes with some success. Small angle X-ray scattering (SAXS) is a well-established technique to investigate protein spatial configuration. This work describes the integration of geometric docking with SAXS to investigate the quaternary structure of recombinant human purine nucleoside phosphorylase (PNP). This enzyme catalyzes the reversible phosphorolysis of N-ribosidic bonds of purine nucleosides and deoxynucleosides. A genetic deficiency due to mutations in the gene encoding for PNP causes gradual decrease in T-cell immunity. Inappropriate activation of T-cells has been implicated in several clinically relevant human conditions such as transplant rejection, rheumatoid arthritis, lupus, and T-cell lymphomas. PNP is therefore a target for inhibitor development aiming at T-cell immune response modulation and has been submitted to extensive structure-based drug design. The present analysis confirms the trimeric structure observed in the crystal. The potential application of the present procedure to other systems is discussed. (C) 2003 Elsevier B.V. All rights reserved.

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Objective: Hand-held flexible poles which are brought into oscillation to cause alternating forces on trunk, are advocated as training devices that are supposed to solicit increased levels of stabilizing trunk muscle activity. The aim of this study was to verify this claim by comparing electromyographic (EMG) activity of trunk muscles during exercises performed with a flexible pole and a rigid pole.Methods: Twelve healthy females performed three different exercises with flexible and rigid poles. EMG activity of iliocostalis lumborum (IL), multifidus (MU), rectus abdominis (RA), external oblique (EO) and internal oblique (IO), and was continuously measured. The EMG signals were analyzed in time domain by calculation of the Root Mean Square (RMS) amplitudes over 250 ms windows. The mean RMS-values over time were normalized by the maximum RMS obtained for each muscle.Results: The IO showed a 72% greater EMG activity during the exercises performed with the flexible pole than with the rigid pole (p = 0.035). In exercises performed in standing, the IO was significantly more active than when sitting (p = 0.006).Conclusion: As intended, the cyclic forces induced by the oscillating pole did increase trunk muscle activation. However, the effect was limited and significant for the IO muscle only.

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A practical problem of synchronization of a non-ideal (i.e. when the excitation is influenced by the response of the system) and non-linear vibrating system was posed and investigated by means of numerical simulations. Two rotating unbalanced motors compose the mathematical model considered here with limited power supply mounted on the horizontal beam of a simple portal frame. As a starting point, the problem is reduced to a four-degrees-of-freedom model and its equations of motion, derived elsewhere via a Lagrangian approach, are presented. The numerical results show the expected phenomena associated with the passage through resonance with limited power. Further, for a two-to-one relationship between the frequencies associated with the first symmetric mode and the sway mode, by using the variation of torque constants, the control of the self-synchronization and synchronization (in the system) are observed at certain levels of excitations.

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

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

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The surface pressure-molecular area (pi-A) isotherms for Langmuir monolayers of four perylenetetracarboxylic (PTCD) derivatives, measured with varying subphase temperatures and compression speeds, are reported. The behavior of these PTCD derivatives at the water-air interface is modeled using the rigid docking method. This approach is the first attempt to model the molecular orientation of PTCD on the water surface to be compared with experimental Langmuir isotherms. Through this methodology, it would be possible to anticipate aggregation and determine if favorable spatial orientations of perylenes are generated on the water surface. The pi-A isotherm experiments show that these molecules can support high surface pressures, indicating strong packing on the water surface and that the isotherms are compression speed independent but temperature dependent. The molecular orientation and stacking was further examined in Langmuir-Blodgett (LB) monolayers deposited onto glass and glass coated with Ag island films using UV-visible absorption and surface-enhanced fluorescence (SEF) measurements.

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Tellurium tetrachloride adds to alkynes via two pathways: a concerted syn addition, that yields Z-tri- and tetra-substituted alkenes or by an anti addition that yields E-alkenes. The mechanistic aspects of these divergent pathways have been reevaluated at the light of crystallographic data. The molecules, of the title compound, in the crystal, are associated in a helical fashion with a Te...Te pitch of 6.3492(6) angstrom. As it exhibits inhibitory activity for cathepsin B and in order to gain more insight of the inhibition mechanism, a docking study was undertaken providing insight on why organic telluranes are more efficient inhibitors than inorganic ones as AS-101. (c) 2006 Elsevier B.V. All rights reserved.