Potential drugs and nondrugs: prediction and identification of important structural features

Using decision trees, a model to discriminate between potential drugs and nondrugs has been developed. Compounds from the Available Chemical Directory and the World Drug Index databases were used as training set; the molecular structures were represented using extended atom types. The error rate on an independent validation data set is 17.4%. The number of false negatives can be reduced by penalizing the misclassification of drugs so that 92 out of 100 potential drugs are correctly recognized. At the same time, 34 out of 100 nondrugs are classified as potential drugs. The predictions of the model can be used to guide the purchase or selection of compounds for biological screening or the design of combinatorial libraries. The visualization of the generated models in the form of colored trees allowed us to identify a few, surprisingly simple features that explain the most significant differences between drugs and nondrugs in the training set: Just by testing the presence of hydroxyl, tertiary or secondary amino, carboxyl, phenol, or enol groups, already three quarters of all drugs could be correctly recognized. The nondrugs, on the other hand, are characterized by their aromatic nature with a low content of functional groups besides halogens. The general applicability of the model is shown by the predictions made for several Organon databases.     

Integrated receiver architectures for board-to-board free-space optical interconnects

In many computer and server communications copper cables and wires are currently being used for data transmission and interconnects. However, due to significant shortcomings, such as long transmission time, high noise level, unstable electrical properties, and high power consumption for cooling, researchers are increasingly turning their research interests toward alternatives, such as fiber optic interconnects and free-space optical communication technologies. In this paper, we present design considerations for an integrated receiver for high-speed free-space line-of-sight optical interconnects for distortion-free data transmission in an environment with mechanical vibrations and air turbulences. The receiver consists of an array of high-speed photodiodes for data communication and an array of quadrant photodiodes for real-time beam tracking in order to compensate for the beam misalignment caused by vibrations in servers. Different configurations for spatially positioning the quadrant and data photodiodes are discussed for 4×4 and 9×9 multielement optical detector arrays. We also introduce a new beam tracking device, termed the strip quadrant photodiodes, in order to accurately track highly focused optical beams with very small beam diameter.     

Line-addressable digital-deflection programmable micromirror array

We report a novel digital-deflection programmable micromirror array driven by micromechanical digital-to-analog converters that eliminates the need for electrical digital-to-analog converters for analog displacement control, thus simplifying the driving circuitry and reducing the overall system cost. Furthermore, owing to the bistable and hysteretic characteristics of parallel-plate electrostatic actuators, an array of micromirrors can be controlled by means of row- and column-addressing lines, which drastically reduce the number of routing wires and allow array sizes to increase while they maintain high array quality.     

AERODYNAMICS AND DYNAMICS OF RECTANGULAR PRISMS WITH MOMENTUM INJECTION

A structural member with rectangular cross-section is frequently encountered in civil, mechanical and ocean engineering applications. Structural loading in terms of steady and unsteady pressure fields, susceptibility to flow-induced instabilities, etc., for tall buildings, bridges, offshore platforms, marine risers and a wide variety of other configurations have been of interest to engineers. Recent progress in engineering materials and computer-aided design has led to structures with reduced stiffness, making them prone to wind, earthquake, as well as ocean-wave and current-excited oscillations. The present research is aimed at understanding these issues at a fundamental level through a comprehensive study of moving-surface boundary-layer control (MSBC) as applied to two-dimensional rectangular prisms with reference to drag reduction and suppression of flow-induced vibrations. Extensive wind-tunnel tests, complemented by quasisteady analysis and flow visualization study, suggest that the concept of MSBC represents a versatile tool for drag reduction and suppression of both vortex resonance and galloping type of instabilities.     

AN EFFICIENT LIQUID SLOSHING DAMPER FOR VIBRATION CONTROL

The next generation of tall structures are being designed to be lighter and more flxible, making them susceptible to wind, ocean waves and earthquake type of excitations. One approach to vibration control of such systems is through energy dissipation using a liquid sloshing damper. Such dampers are already in use for vibration control of tall structures in Japan and Australia. The present parametric study focuses on enhancing the energy dissipation efficiency of a rectangular liquid damper through introduction of a two-dimensional obstacle. A parametric free-vibration study, aimed at optimum size and location of the obstacle, is described first. Results suggest a significant increase in the energy dissipation, up to 60%, in the presence of the obstacle. An extensive wind tunnel test-program was undertaken which substantiated the effectiveness of the improved damper in suppressing both vortex resonance and galloping types of instabilities. Ability of the damper to control structural oscillations with a smaller amount liquid is quite attractive for real-life applications.