AN IMPEDANCE TUBE FOR THE IN-SITU CLASSIFICATION OF BUBBLY LIQUIDS

It is well documented that the presence of even a few air bubbles in water can signifi- cantly alter the propagation and scattering of sound. Air bubbles are both naturally and artificially generated in all marine environments, especially near the sea surface. The abil- ity to measure the acoustic propagation parameters of bubbly liquids in situ has long been a goal of the underwater acoustics community. One promising solution is a submersible, thick-walled, liquid-filled impedance tube. Recent water-filled impedance tube work was successful at characterizing low void fraction bubbly liquids in the laboratory [1]. This work details the modifications made to the existing impedance tube design to allow for submersed deployment in a controlled environment, such as a large tank or a test pond. As well as being submersible, the useable frequency range of the device is increased from 5 - 9 kHz to 1 - 16 kHz and it does not require any form of calibration. The opening of the new impedance tube is fitted with a large stainless steel flange to better define the boundary condition on the plane of the tube opening. The new device was validated against the classic theoretical result for the complex reflection coefficient of a tube opening fitted with an infinite flange. The complex reflection coefficient was then measured with a bubbly liquid (order 250 micron radius and 0.1 - 0.5 % void fraction) outside the tube opening. Results from the bubbly liquid experiments were inconsistent with flanged tube theory using current bubbly liquid models. The results were more closely matched to unflanged tube theory, suggesting that the high attenuation and phase speeds in the bubbly liquid made the tube opening appear as if it were radiating into free space.

Protein Docking by the Underestimation of Free Energy Funnels in the Space of Encounter Complexes

Similarly to protein folding, the association of two proteins is driven by a free energy funnel, determined by favorable interactions in some neighborhood of the native state. We describe a docking method based on stochastic global minimization of funnel-shaped energy functions in the space of rigid body motions (SE(3)) while accounting for flexibility of the interface side chains. The method, called semi-definite programming-based underestimation (SDU), employs a general quadratic function to underestimate a set of local energy minima and uses the resulting underestimator to bias further sampling. While SDU effectively minimizes functions with funnel-shaped basins, its application to docking in the rotational and translational space SE(3) is not straightforward due to the geometry of that space. We introduce a strategy that uses separate independent variables for side-chain optimization, center-to-center distance of the two proteins, and five angular descriptors of the relative orientations of the molecules. The removal of the center-to-center distance turns out to vastly improve the efficiency of the search, because the five-dimensional space now exhibits a well-behaved energy surface suitable for underestimation. This algorithm explores the free energy surface spanned by encounter complexes that correspond to local free energy minima and shows similarity to the model of macromolecular association that proceeds through a series of collisions. Results for standard protein docking benchmarks establish that in this space the free energy landscape is a funnel in a reasonably broad neighborhood of the native state and that the SDU strategy can generate docking predictions with less than 5 � ligand interface Ca root-mean-square deviation while achieving an approximately 20-fold efficiency gain compared to Monte Carlo methods.