The Problem: Accurate determination of the three-dimensional atomic structures of molecules is currently a bottleneck in drug design research and is a crucial part of understanding the molecular mechanisms of biological systems. The goal of this project is to systematically enumerate feasible conformations (three-dimensional configurations) of a flexible molecule, subject to a given set of cons...

We present a new popup widget, called CoR2Ds (Context-Rooted Rotatable Draggables), designed for multi-user direct-touch tabletop environments. CoR2Ds are interactive callout popup objects that are visually connected (rooted) at the originating displayed object by a semi-transparent colored swath. CoR2Ds can be used to bring out meanus, display drilled-down or off-screen ancillary data such as ...

Detection of arbitrarily rotated objects is a challenging task due to the difficulties of locating the multi-angle objects and separating them effectively from the background. The existing methods are not robust to angle varies of the objects because of the use of traditional bounding box, which is a rotation variant structure for locating rotated objects. In this article, a new detection metho...

We present experimental results on the eigenfrequency statistics of a superconducting, chaotic microwave billiard containing a rotatable obstacle. Deviations of the spectral fluctuations from predictions based on Gaussian orthogonal ensembles of random matrices are found. They are explained by treating the billiard as an open scattering system in which microwave power is coupled in and out via ...

We report the experimental verification of the predicted chaotic mixing characteristics for a polydimethylsioxane microfluidic chip, based on the mechanism of multistage cross-channel flows. While chaotic mixing can be achieved within short passage distances, there is an optimal side channel flow pulsation frequency beyond which the mixing becomes ineffective. Based on the physical understandin...

In this paper, the data assembled concerning the agitation of a Newtonian fluid in a cylindrical vessel is disclosed. The stirred vessel is not provided with baffles and has a flat-bottom. The data presents some information on the characteristics of two impellers: a six-blade Rushton turbine and a six-blade paddle impeller. The flow patterns generated by both impellers are depicted and compared...

Rayleigh-Bénard convective PCR is a simple and effective design for amplification of DNA. Convective PCR is, however, extremely sensitive to environmental temperature fluctuations, especially when using small- diameter test tubes. Therefore, this method is inherently unstable with limited applications. Here, we present a convective PCR device that has been modified by adding thermal baffles. Wi...

Heat transfer reduction capabilities of a vertical or a horizontal adiabatic partial partition fixed in a differentially heated cavity with insulated top and bottom walls are analyzed and compared. The effects of length and location of the partition is taken into account for aspect ratios from 1 to 4 and for Rayleigh numbers from 103 to 106. Different characteristics of square and higher aspect...

In this paper, a nanofluid-based solar collector duct equipped with baffles is examined numerically. Baffles are located on the back plate to guide nanofluid flow toward absorber for heat transfer enhancement purposes. Cu-water fixed rate and concentration in baffled investigated thermohydraulic mechanisms. different inclination angles, heights pitches considered study. Numerical simulations pe...

In vertical Bridgman (VB) systems, the shape of S-L interface greatly influences yield and perfection single crystal, because continuous contact with crucible. The melt flows are difficult to modify control. Baffles flow-directing or obstructing devices. VB melts, baffles disk shaped, positioned horizontally above solid-liquid (S-L) interface. role baffle is to: i) minimize thermally-driven con...