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At least 163 records · Page 9

A simple technique to classify diffraction data from dynamic proteins according to individual polymorphs

One often observes small but measurable differences in the diffraction data measured from different crystals of a single protein. These differences might reflect structural differences in the protein and may reveal the natural dynamism of the molecule in solution. Partitioning these mixed-state data into single-state clusters is a critical step that could extract information about the dynamic behavior of proteins from hundreds or thousands of single-crystal data sets. Mixed-state data can be obtained deliberately (through intentional perturbation) or inadvertently (while attempting to measure highly redundant single-crystal data). To the extent that different states adopt different molecular structures, one expects to observe differences in the crystals; each of the polystates will create a polymorph of the crystals. After mixed-state diffraction data have been measured, deliberately or inadvertently, the challenge is to sort the data into clusters that may represent relevant biological polystates. Here, this problem is addressed using a simple multi-factor clustering approach that classifies each data set using independent observables, thereby assigning each data set to the correct location in conformational space. This procedure is illustrated using two independent observables, unit-cell parameters and intensities, to cluster mixed-state data from chymotrypsinogen (ChTg) crystals. It is observed that the data populate an arc of the reaction trajectory as ChTg is converted into chymotrypsin.

36 MATERIALS SCIENCE↗

Statistical Learning for Nonlinear Model Reduction from Local Simulations of Stochastic and Particle- and Agent-Based Systems

Stochastic physical systems across the sciences that have very high-dimensional state spaces, with a large number of fast degrees of freedom that force direct simulators to proceed by integration steps that are orders of magnitude smaller than events of interests (e.g., particle collisions). Examples range from molecular motion to dynamics of large populations of cells. A grand challenge in the simulation and understanding of such systems is the systematic construction of accurate, interpretable, reduced models, enabling faster simulations, revealing fundamental properties of the dynamics, and predicting phenomena of interest that the original simulator could not reached with sufficient accuracy or within a given computational budget. In this projected we developed novel statistical estimation/machine learning techniques for analyzing and building empirical reduced models for important families of high-dimensional stochastic systems, in particular: - we developed techniques for estimating interaction kernels in interacting particle- and agent-based systems, which are ubiquitous in Physics, Biology and many other sciences, given observed trajectories of the system; - we developed techniques for nonlinear model reduction for high-dimensional stochastic systems that have a small number of unknown, nonlinear slow variables, and a large number of fast modes, that are possibly of large magnitude, given observed short trajectories of the system in the form of bursts of trajectories from different initial conditions; - we developed novel techniques for estimating linear dynamical systems on graphs when both the dynamics and the underlying graph are unknown, and we have a sparse set of space-time observations; - we considered the problem of estimating an unknown nonlinear observation function of a standard process (e.g. Brownian motion), so that we can recognized if an observed dynamics is "just" a nonlinear version of a known dynamics; we also developed benchmarks for learning algorithms aimed at learning and classifying diffusion processes.

97 MATHEMATICS AND COMPUTING↗

NASA Tech Briefs, January 2009

Tech Briefs are short announcements of innovations originating from research and development activities of the National Aeronautics and Space Administration. They emphasize information considered likely to be transferable across industrial, regional, or disciplinary lines and are issued to encourage commercial application. Topics covered include: The Radio Frequency Health Node Wireless Sensor System; Effects of Temperature on Polymer/Carbon Chemical Sensors; Small CO2 Sensors Operate at Lower Temperature; Tele-Supervised Adaptive Ocean Sensor Fleet; Synthesis of Submillimeter Radiation for Spectroscopy; 100-GHz Phase Switch/Mixer Containing a Slot-Line Transition; Generating Ka-Band Signals Using an X-Band Vector Modulator; SiC Optically Modulated Field-Effect Transistor; Submillimeter-Wave Amplifier Module with Integrated Waveguide Transitions; Metrology System for a Large, Somewhat Flexible Telescope; Economical Implementation of a Filter Engine in an FPGA; Improved Joining of Metal Components to Composite Structures; Machined Titanium Heat-Pipe Wick Structure; Gadolinia-Doped Ceria Cathodes for Electrolysis of CO2; Utilizing Ocean Thermal Energy in a Submarine Robot; Fuel-Cell Power Systems Incorporating Mg-Based H2 Generators; Alternative OTEC Scheme for a Submarine Robot; Sensitive, Rapid Detection of Bacterial Spores; Adenosine Monophosphate-Based Detection of Bacterial Spores; Silicon Microleaks for Inlets of Mass Spectrometers; CGH Figure Testing of Aspherical Mirrors in Cold Vacuums; Series-Coupled Pairs of Silica Microresonators; Precise Stabilization of the Optical Frequency of WGMRs; Formation Flying of Components of a Large Space Telescope; Laser Metrology Heterodyne Phase-Locked Loop; Spatial Modulation Improves Performance in CTIS; High-Performance Algorithm for Solving the Diagnosis Problem; Truncation Depth Rule-of-Thumb for Convolutional Codes; Efficient Method for Optimizing Placement of Sensors.

Source record↗

Engineering osmolysis susceptibility in Cupriavidus necator and Escherichia coli for recovery of intracellular products

Intracellular biomacromolecules, such as industrial enzymes and biopolymers, represent an important class of bio-derived products obtained from bacterial hosts. A common key step in the downstream separation of these biomolecules is lysis of the bacterial cell wall to effect release of cytoplasmic contents. Cell lysis is typically achieved either through mechanical disruption or reagent-based methods, which introduce issues of energy demand, material needs, high costs, and scaling problems. Osmolysis, a cell lysis method that relies on hypoosmotic downshock upon resuspension of cells in distilled water, has been applied for bioseparation of intracellular products from extreme halophiles and mammalian cells. However, most industrial bacterial strains are non-halotolerant and relatively resistant to hypoosmotic cell lysis. To overcome this limitation, we developed two strategies to increase the susceptibility of non-halotolerant hosts to osmolysis using Cupriavidus necator, a strain often used in electromicrobial production, as a prototypical strain. In one strategy, C. necator was evolved to increase its halotolerance from 1.5% to 3.25% (w/v) NaCl through adaptive laboratory evolution, and genes potentially responsible for this phenotypic change were identified by whole genome sequencing. The evolved halotolerant strain experienced an osmolytic efficiency of 47% in distilled water following growth in 3% (w/v) NaCl. In a second strategy, the cells were made susceptible to osmolysis by knocking out the large-conductance mechanosensitive channel (mscL) gene in C. necator. When these strategies were combined by knocking out the mscL gene from the evolved halotolerant strain, greater than 90% osmolytic efficiency was observed upon osmotic downshock. A modified version of this strategy was applied to E. coli BL21 by deleting the mscL and mscS (small-conductance mechanosensitive channel) genes. When grown in medium with 4% NaCl and subsequently resuspended in distilled water, this engineered strain experienced 75% cell lysis, although decreases in cell growth rate due to higher salt concentrations were observed. Our strategy is shown to be a simple and effective way to lyse cells for the purification of intracellular biomacromolecules and may be applicable in many bacteria used for bioproduction.

59 BASIC BIOLOGICAL SCIENCES↗

Evaluation of bio-inspired flow fields in a mediated Li-S flow battery for grid energy storage

Lithium-sulfur is a redox flow battery with high energy density for applications in safe, reliable, and lasting scaling of energy. However, lithium-based batteries often encounter platting as a problem thanks to poor Li-ions deposition after cycling. Aiming to reduce this impact, a uniform and continuous flow of ions is needed. On this work, novel bio-inspired flow fields in the electrochemical cell were tested to improve ions flowability and lithium platting control, ultimately enhancing battery performance and life. To secure Li-S efficient, low-cost, and secure energy storage capabilities, we chose a configuration with decamethylferrocene and cobaltocene acting as redox mediators, Li metal as anode and sulfur kept in a separate catholyte reservoir. Flow test and battery results insinuated a beneficial influence of bio-inspired designs in flowing electrolyte uniformly with less pressure and pump power in comparison to other conventional designs used in the industry, with an encouraging ability to approach a cheap, safe, and reliable Li-S grid energy storage.

25 ENERGY STORAGE↗

NASA Space Engineering Research Center for utilization of local planetary resources

Because of a change in the NASA funding cycle, the present reporting period covers only the six months from March to September 1991. Nevertheless, remarkable progress was made in a number of areas, some of the most noteworthy of which are: (1) Engineering operation of a breadboard CO2 yields O2 demonstration plant that produced over 10 grams of oxygen per day during several runs of over 100 hours each with a single electrolytic cell. Complete automation of controls, monitoring of various inputs/outputs and critical internal variables, diagnostics, and emergency shutdown in an orderly manner were also included. Moreover, 4-cell and 16-cell units, capable of much higher rates of production, were assembled and tested. (2) Demonstration of a 200 percent increase in the carbothermal reduction of ilmenite through vapor deposition of carbon layers on particles of that material. (3) Demonstration of the deposition of strong iron films from carbonyl chemical vapor deposition, establishing the crucial role of additive gases in governing the process. (4) Discovery of an apparent 800 percent increase in the conversion rates of a modified ilmenite simulant in a plasma-augmented reactor, including direct enhancement by solar radiation absorption. (5) Proof that test specimens of lunar soil with small amounts of metallic additives, recrystallized at moderate temperatures, exhibit an improvement of several orders of magnitude in ductility/tensile strength. (6) Experiments establishing the feasibility of producing silicon-based polymers from indigenous lunar materials. (7) Application of CCD technology to the production of maps of TiO2 abundance, defining primary ilmenite deposits, on the disk of the full moon. (8) Attainment of a discovery rate of approximately 3 new near-Earth asteroids per month by Spacewatch, more than doubling the previous global rate. (9) Coordination of industry and university magma electrolysis investigations in a workshop designed to define remaining problem areas and propose critical experiments.

Ramohalli, Kumar↗

Energetics of muscle contraction: the whole is less than the sum of its parts

Understanding muscle energetics is a problem in optimizing supply of ATP to the demands of ATPases. The complexity of reactions and their fluxes to achieve this balance is greatly reduced by recognizing constraints imposed by the integration of common metabolites at fixed stoichiometry among modular units. ATPase is driven externally. Oxidative phosphorylation and glycogenolysis are the suppliers. We focus on their regulation which involves different controls, but reduces to two principles that enable facile experimental analysis of the supply and demand fluxes. The ratio of concentration of phosphocreatine (PCr) to ATP, not their individual values, sets the range of achievable concentrations of ADP in resting and active muscle (at fixed pH) in different cell types. This principle defines the fraction of available flux of oxidative phosphorylation utilized (at fixed enzyme activities). Then the kinetics of PCr recovery defines the kinetics of oxygen supply and substrate utilization. The second principle is the constancy of PCr and H(+) (lactate) production by glycogenolysis due to the coupling of ATPase and glycolysis. This principle enables glycogenolytic flux to be measured from intracellular proton loads. Further simplification occurs because the magnitude of the interacting fluxes and metabolite concentrations are specified within narrow limits when both the resting and active fluxes are quantified. Thus there is a small set of rules for assessing and understanding the thermodynamics and kinetics of muscle energetics.

NASA Program Biomedical Research and Countermeasur↗

Space Resources Roundtable 2

Contents include following: Developing Technologies for Space Resource Utilization - Concept for a Planetary Engineering Research Institute. Results of a Conceptual Systems Analysis of Systems for 200 m Deep Sampling of the Martian Subsurface. The Role of Near-Earth Asteroids in Long-Term Platinum Supply. Core Drilling for Extra-Terrestrial Mining. Recommendations by the "LSP and Manufacturing" Group to the NSF-NASA Workshop on Autonomous Construction and Manufacturing for Space Electrical Power Systems. Plasma Processing of Lunar and Planetary Materials. Percussive Force Magnitude in Permafrost. Summary of the Issues Regarding the Martian Subsurface Explorer. A Costing Strategy for Manufacturing in Orbit Using Extraterrestrial Resources. Mine Planning for Asteroid Orebodies. Organic-based Dissolution of Silicates: A New Approach to Element Extraction from LunarRegohth. Historic Frontier Processes Active in Future Space-based Mineral Extraction. The Near-Earth Space Surveillance (NIESS) Mission: Discovery, Tracking, and Characterization of Asteroids, Comets, and Artificial Satellites with a microsatellite. Privatized Space Resource Property Ownership. The Fabrication of Silicon Solar Cells on the Moon Using In-Situ Resources. A New Strategy for Exploration Technology Development: The Human Exploration and Development of Space (HEDS) Exploratiori/Commercialization Technology Initiative. Space Resources for Space Tourism. Recovery of Volatiles from the Moon and Associated Issues. Preliminary Analysis of a Small Robot for Martian Regolith Excavation. The Registration of Space-based Property. Continuous Processing with Mars Gases. Drilling and Logging in Space; An Oil-Well Perspective. LORPEX for Power Surges: Drilling, Rock Crushing. An End-To-End Near-Earth Asteroid Resource Exploitation Plan. An Engineering and Cost Model for Human Space Settlement Architectures: Focus on Space Hotels and Moon/Mars Exploration. The Development and Realization of a Silicon-60-based Economy in CisLunar Space. Our Lunar Destiny: Creating a Lunar Economy. Cost-Effective Approaches to Lunar Passenger Transportation. Lunar Mineral Resources: Extraction and Application. Space Resources Development - The Link Between Human Exploration and the Long-term Commercialization of Space. Toward a More Comprehensive Evaluation of Space Information. Development of Metal Casting Molds by Sol-Gel Technology Using Planetary Resources. A New Concept in Planetary Exploration: ISRU with Power Bursts. Bold Space Ventures Require Fervent Public Support. Hot-pressed Iron from Lunar Soil. The Lunar Dust Problem: A Possible Remedy. Considerations on Use of Lunar Regolith in Lunar Constructions. Experimental Study on Water Production by Hydrogen Reduction of Lunar Soil Simulant in a Fixed Bed Reactor.

Ignatiev, A.↗

Motion of Drops on Surfaces with Wettability Gradients

A liquid drop present on a solid surface can move because of a gradient in wettability along the surface, as manifested by a gradient in the contact angle. The contact angle at a given point on the contact line between a solid and a liquid in a gaseous medium is the angle between the tangent planes to the liquid and the solid surfaces at that point and is measured within the liquid side, by convention. The motion of the drop occurs in the direction of increasing wettability. The cause of the motion is the net force exerted on the drop by the solid surface because of the variation of the contact angle around the periphery. This force causes acceleration of an initially stationary drop, and leads to its motion in the direction of decreasing contact angle. The nature of the motion is determined by the balance between the motivating force and the resisting hydrodynamic force from the solid surface and the surrounding gaseous medium. A wettability gradient can be chemically induced as shown by Chaudhury and Whitesides who provided unambiguous experimental evidence that drops can move in such gradients. The phenomenon can be important in heat transfer applications in low gravity, such as when condensation occurs on a surface. Daniel et al have demonstrated that the velocity of a drop on a surface due to a wettability gradient in the presence of condensation can be more than two orders of magnitude larger than that observed in the absence of condensation. In the present research program, we have begun to study the motion of a drop in a wettability gradient systematically using a model system. Our initial efforts will be restricted to a system in which no condensation occurs. The experiments are performed as follows. First, a rectangular strip of approximate dimensions 10 x 20 mm is cut out of a silicon wafer. The strip is cleaned thoroughly and its surface is exposed to the vapor from an alkylchlorosilane for a period lasting between one and two minutes inside a desiccator. This is done using an approximate line source of the vapor in the form of a string soaked in the alkylchlorosilane. Ordinarily, many fluids, including water, wet the surface of silicon quite well. This means that the contact angle is small. But the silanized surface resists wetting, with contact angles that are as large as 100 degs. Therefore, a gradient of wettability is formed on the silicon surface. The region near the string is highly hydrophobic, and the contact angle decreases gradually toward a small value at the hydrophilic end away from this region. The change in wettability occurs over a distance of several mm. The strip is placed on a platform within a Plexiglas cell. Drops of a suitable liquid are introduced on top of the strip near the hydrophobic end. An optical system attached to a video camera is trained on the drop so that images of the moving drop can be captured on videotape for subsequent analysis. We have performed preliminary experiments with water as well as ethylene glycol drops. Results from these experiments will be presented in the poster. Future plans include the refinement of the experimental system so as to permit images to be recorded from the side as well as the top, and the conduct of a systematic study in which the drop size is varied over a good range. Experiments will be conducted with different fluids so as to obtain the largest possible range of suitably defined Reynolds and Capillary numbers. Also, an effort will be initiated on theoretical modeling of this motion. The challenges in the development of the theoretical description lie in the proper analysis of the region in the vicinity of the contact line, as well as in the free boundary nature of the problem. It is known that continuum models assuming the no slip condition all the way to the contact line fail by predicting that the stress on the solid surface becomes singular as the contact line is approached. One approach for dealing with this issue has been to relax the no-slip boundary condition using the Navier model. Molecular dynamics simulations of the contact line region show that for a non-polar liquid on a solid surface, the no-slip boundary condition is in fact incorrect near the contact line. Furthermore, the same simulations also show that the usual relationship between stress and the rate of deformation breaks down in the vicinity of the contact line. In developing continuum theoretical models of the system, we shall accommodate this knowledge to the extent possible.

Subramanian, R. Shankar↗

NASA Tech Briefs, April 2002

The contents include: 1) Application Briefs; 2) Sneak Preview of Sensors Expo; 3) The Complexity of the Diagnosis Problem; 4) Design Concepts for the ISS TransHab Module; 5) Characteristics of Supercritical Transitional Mixing Layers; 6) Electrometer for Triboelectric Evaluation of Materials; 7) Infrared CO2 Sensor With Built-In Calibration Chambers; 8) Solid-State Potentiometric CO Sensor; 9) Planetary Rover Absolute Heading Detection Using a Sun Sensor; 10) Concept for Utilizing Full Areas of STJ Photodetector Arrays; 11) Development of Cognitive Sensors; 12) Enabling Higher-Voltage Operation of SOl CMOS Transistors; 13) Estimating Antenna-Pointing Errors From Beam Squints; 14) Advanced-Fatigue-Crack-Growth and Fracture- Mechanics Program; 15) Software for Sequencing Spacecraft Actions; 16) Program Distributes and Tracks Organizational Memoranda; 16) Flat Membrane Device for Dehumidification of Air; 17) Inverted Hindle Mount Reduces Sag of a Large, Precise Mirror; 18) Heart-Pump-Outlet/Cannula Coupling; 19) Externally Triggered Microcapsules Release Drugs In Situ; 20) Combinatorial Drug Design Augmented by Information Theory; 21) Multiple-Path-Length Optical Absorbance Cell; 22) Model of a Fluidized Bed Containing a Mixture of Particles; 23) Refractive Secondary Concentrators for Solar Thermal Systems; 24) Cold Flow Calorimeter; 25) Methodology for Tracking Hazards and Predicting Failures; 26) Estimating Heterodyne-Interferometer Polarization Leakage; 27) An Efficient Algorithm for Propagation of Temporal- Constraint Networks; 28) Software for Continuous Replanning During Execution; 29) Surface-Launched Explorers for Reconnaissance/Scouting; 30) Firmware for a Small Motion-Control Processor; 31) Gear Bearings and Gear-Bearing Transmissions; and 32) Linear Dynamometer With Variable Stroke and Frequency.

Source record↗

Preliminary Study of Electron Emission for Use in the PIC Portion of MAFIA

This memorandum summarizes a study undertaken to apply the program MAFIA to the modeling of an electron gun in a traveling wave tube (TWT). The basic problem is to emit particles from the cathode in the proper manner. The electrons are emitted with the classical Maxwell-Boltzmann (M-B) energy distribution; and for a small patch of emitting surface; the distribution with angle obeys Lambert's law. This states that the current density drops off as the cosine of the angle from the normal. The motivation for the work is to extend the analysis beyond that which has been done using older codes. Some existing programs use the Child-Langmuir, or 3/2 power law, for the description of the gun. This means the current varies as the 3/2 power of the anode voltage. The proportionality constant is termed the perveance of the gun. This is limited, however, since the 3/2 variation is only an approximation. Also, if the cathode is near saturation, the 3/2 law definitely will not hold. In most of the older codes, the electron beam is decomposed into current tubes, which imply laminar flow in the beam; even though experiments show the flow to be turbulent. Also, the proper inclusion of noise in the beam is not possible. These older methods of calculation do, however, give reasonable values for parameters of the electron beam and the overall gun, and these values will be used as the starting point for a more precise particle-in-cell (PIC) calculation. To minimize the time needed for a given computer run, all beams will use the same number of particles in a simulation. This is accomplished by varying the mass and charge of the emitted particles (macroparticles) in a certain manner, to be consistent with the desired beam current.

Freeman, Jon C.↗

Implementation of a Mesh refinement algorithm into the quasi-static PIC code QuickPIC

Plasma-based acceleration (PBA) has emerged as a promising candidate for the accelerator technology used to build a future linear collider and/or an advanced light source. In PBA, a trailing or witness particle beam is accelerated in the plasma wave wakefield (WF) created by a laser or particle beam driver. The WF is often nonlinear and involves the crossing of plasma particle trajectories in real space and thus particle-in-cell methods are used. The distance over which the drive beam evolves is several orders of magnitude larger than the wake wavelength. This large disparity in length scales is amenable to the quasi-static approach. Three-dimensional (3D), quasi-static (QS), particle-in-cell (PIC) codes, e.g., QuickPIC, have been shown to provide high fidelity simulation capability with 2-4 orders of magnitude speedup over 3D fully explicit PIC codes. In PBA, the witness beam needs to be matched to the focusing forces of the WF to reduce the emittance growth. In some linear collider designs, the matched spot size of the witness beam can be 2 to 3 orders of magnitude smaller than the spot size (and wavelength) of the wakefield. Such an additional disparity in length scales is ideal for mesh refinement where the WF within the witness beam is described on a finer mesh than the rest of the WF. A mesh refinement scheme is described that has been implemented into the 3D QS PIC code, QuickPIC. Very fine (high) resolution is used in a small spatial region that includes the witness beam and progressively coarser resolutions in the rest of the simulation domain. A fast multigrid Poisson solver has been implemented for the field solve on the refined meshes and a Fast Fourier Transform (FFT) based Poisson solver is used for the coarse mesh. The code has been parallelized with both MPI and OpenMP, and the parallel scalability has also been improved by using pipelining. A preliminary adaptive mesh refinement technique is described to optimize the computational time for simulations with an evolving witness beam size. Several test problems are used to verify that the mesh refinement algorithm provides accurate results. Additionally, the results are benchmarked against highly resolved simulations exhibiting near-azimuthal symmetry, performed using QPAD—a novel hybrid QS PIC code that uses a PIC description in the coordinates (r, ct – z) and a gridless description in the azimuthal angle, Φ.

Linear collider↗

Wireless Self-Acquistion of 12-Lead ECG via Android Smart Phone

Researchers at NASA s Johnson Space Center and at Orbital Research, Inc. (a NASA SBIR grant recipient) have recently developed a dry-electrode harness that allows for self-acquisition of resting 12-lead ECGs by minimally trained laypersons. When used in conjunction with commercial wireless (e.g., Bluetooth(TM) or 802.11-enabled) 12-lead ECG devices and custom smart phone-based software, the collected 12-lead ECG data can also immediately be forwarded from any geographic location within cellular range to the user s physician(s) of choice. The system can also be used to immediately forward to central receiving stations 12-lead ECG data collected during space flight or during activities in any remote terrestrial location supported by an internet or cellular phone infrastructure. The main novel aspects of the system are first, the dry-electrode 12-lead ECG harness itself, and second, an accompanying Android(TM) smart phone-based wireless 12-lead ECG capability. The ECG harness nominally employs dry electrodes manufactured by Orbital Research, Inc, recently cleared through the Food and Drug Administration (FDA). However, other dry electrodes that are not yet FDA cleared, for example those recently developed by Nanosonic, Inc as part of another NASA SBIR grant, can also be used. The various advantageous features of the harness include: 1) laypersons can be quickly instructed on its correct use, remotely if necessary; 2) all tangled "leadwire spaghetti" is eliminated, as is the common clinical problem of "leadwire reversal"; 3) all adhesives and disposables are also eliminated, the harness being fully reusable; if multiple individuals intend to use use the same harness, then standard antimicrobial wipes can be employed to sterilize the dry electrodes (and harness surface if needed) between users; 5) padded cushions at the lateral sides of the torso function to press the left arm (LA) and right arm (RA) dry electrodes mounted on the cushions against sideward or downward-rested arms of the subject; 6) sufficient distal placement of the arm electrodes achieves good electrode abutment to the arms without the need for adhesives, straps, bands, bracelets, or gloves; 7) padding over the sternum avoids "tenting" in the V1 through V3 (and, when present, the V3R) electrode positions; 8) easy-to-don, one-piece design with an adjustable, front-side single point of connection and an adjustable shoulder strap; and 9) Lund or "modified Lund" placement of the dry electrodes, the results of which more effectively reproduce results from "standard" 12-lead ECG placements than do results from Mason-Likar placements. The main limitation of the harness is that "one size does not fit all", meaning that an appropriately sized harness (small, medium, large, etc) must be chosen on the basis of an individual's size. To facilitate the use of the harness with inexpensive, commodity-grade cell phones and tablet devices, 12-lead ECG software is also being developed to accompany the harness for wireless use with Android. For this part of the project, NASA has teamed with TopCoder, Inc and the Harvard-affiliated NASA Tournament Lab in sponsoring java-based software programming contests through TopCoder. While ECG signals from the harness can already be wirelessly received and thoroughly processed (locally or remotely) by commercial-grade conventional (as well as advanced) 12-lead ECG software running on Microsoft Windows(TM), the Android-based software, once completed, will "cast a wider net" by allowing for a greater percentage of cell phone owners to participate in inexpensive, store-and-forward recordings of 12-lead ECGs worldwide, including for example Android cell phone users in many remote, third-world locations. At the time of writing, the Android 12-lead ECG software platform consists of a basic but expanding graphical user interface and accompanying software that: 1) wirelessly receives the 12-lead ECG data stream from a Bluetooth-based, FDA-cleared 12-leaCG device attached to the harness; 2) locally stores the same data in binary format to the SD card on the Android cell phone; and 3) makes the data stream in available in real time, for now to TopCoder's java programming contestants.

Schlegel, Todd T.↗

Molecular Simulations in Astrobiology

One of the main goals of astrobiology is to understand the origin of cellular life. In the absence of any record of the earliest ancestors of contemporary cells, protocells, the most direct way to test our understanding of their characteristics is to construct laboratory models of protocells. Such efforts, currently underway in the NASA Astrobiology Program, are accompanied by computational studies aimed at explaining self-organization of simple molecules into ordered structures and developing designs of molecules that are capable of performing protocellular functions. Many of these functions, such as importing nutrients, capturing and storing energy, and responding to changes in the environment, are carried out by proteins bound to membranes. We use computer simulations to address the following, questions about these proteins: (1) How do small proteins (peptides) organize themselves into ordered structures at water-membrane interfaces and insert into membranes? (2) How do peptides aggregate to form membrane-spannin(y structures (e.g., channels)? (3) By what mechanisms do such aggregates perform their functions? The simulations are performed using the molecular dynamics (MD) method. In this method, Newton's equations of motion for each atom in the system are solved iteratively. At each time step, the forces exerted on each atom by the remaining atoms are evaluated by dividing them into two parts. Short-range forces are calculated directly in real space while long-range forces are evaluated in reciprocal space, usually using a particle-mesh algorithm which is of order O(NlnN). Currently, a time step of 2 femtoseconds is typically used, thereby making studies of problems occurring on multi-nanosecond time scales (10(exp 6) - 10(exp 8) time steps) accessible. To address a broader range of problems, simulations need to be extended by three orders of magnitude. Such an extension requires both algorithmic improvements and codes scalable to a large number of parallel processors. Work in this direction is in progress. Two specific series of simulations that demonstrate how peptides self-organize and function in membranes are discussed. In one series of simulations, it was shown that nonpolar peptides, disordered in water, translocate to the nonpolar interior of the membrane and, simultaneously, fold into two different helical structures, which remain in equilibrium. Once in the membrane, the peptides can readily change their orientation, especially in response to local electric fields. This structural and orientational flexibility of peptides with changing conditions may have provided a mechanism of transmitting signals between the environment and the interior of the protocell. In another series of simulations, the mechanism by which a simple protein channel efficiently mediates proton transport across membranes was investigated. This process is a key step in cellular bioenergetics. In the channel under study, proton transport is gated by four histidines that occlude the channel pore. The simulations demonstrate that protons move through the gate by a "shuttle" mechanism, wherein one histidine is protonated on the extracellular side and, subsequently, the proton bound on the opposite side is released.

Pohorille, Andrew↗

Increasing the Thermal Stability of Aluminum Titanate for Solid Oxide Fuel Cell Anodes

Solid-oxide fuel cells (SOFCs) show great potential as a power source for future space exploration missions. Because SOFCs operate at temperatures significantly higher than other types of fuel cells, they can reach overall efficiencies of up to 60% and are able to utilize fossil fuels. The SOFC team at GRC is leading NASA's effort to develop a solid oxide fuel cell with a power density high enough to be used for aeronautics and space applications, which is approximately ten times higher than ground transport targets. layers must be able to operate as a single unit at temperatures upwards of 900'C for at least 40,000 hours with less than ten percent degradation. One key challenge to meeting this goal arises from the thermal expansion mismatch between different layers. The amount a material expands upon heating is expressed by its coefficient of thermal expansion (CTE). If the CTEs of adjacent layers are substantially different, thermal stresses will arise during the cell's fabrication and operation. These stresses, accompanied by thermal cycling, can fracture and destroy the cell. While this is not an issue at the electrolyte-cathode interface, it is a major concern at the electrolyte-anode interface, especially in high power anode-supported systems. electrolyte are nearly identical. Conventionally, this has been accomplished by varying the composition of the anode to match the CTE of the yittria-stabilized zirconia (YSZ) electrolyte (approx.10.8x10(exp -6/degC). A Ni/YSZ composite is typically used as a base material for the anode due to its excellent electrochemical properties, but its CTE is about 13.4x10(exp -6/degC). One potential way to lower the CTE of this anode is to add a small percentage of polycrystalline Al2TiO5, with a CTE of 0.68x10(exp -6/degC, to the Ni/YSZ base. However, Al2TiO5 is thermally unstable and loses its effectiveness as it decomposes to Al2O3 and TiO2 between 750 C and 1280 C. be used as additives to increase the thermal stability of Al2TiO5 in SOFC operating conditions without adversely affecting the electrochemical properties of the SOFC anode. Three candidate materials were chosen through an extensive literature review: MgO, Fe2O3, and ZrTiO4. Although all three have been shown to prevent Al2TiO5 decomposition under various conditions, their effectiveness in the temperature range and atmosphere of the SOFC has not yet been evaluated. Several batches of Al2TiO5 with varying amounts of additives were prepared, exposed to reducing and oxidizing atmospheres at elevated temperatures, and the resulting decomposition of Al2TiO5 was measured. The most promising additives were further evaluated with the goal of ultimately preparing low CTE anodes that are chemically compatible to current systems. Adding minor constituents to stabilize Al2TiO5 could ultimately preserve its low CTE for the life of the fuel cell and improve the cell's long-term performance without a drop in anode conductivity. Further, these low CTE filler additions could allow the use of new sulfur tolerant anode materials, improving the viability of SOFCs for future aeronautics and space applications. Every SOFC consists of a cathode and an anode separated by an electrolyte, These three One way to avoid this problem is to design the cell such that the CTEs of the anode and The objective of this summer research project was to evaluate several materials that could

Bender, Jeffrey B.↗

Dynamic Self-Locking of an OEO Containing a VCSEL

A method of dynamic self-locking has been demonstrated to be effective as a means of stabilizing the wavelength of light emitted by a vertical-cavity surface-emitting laser (VCSEL) that is an active element in the frequency-control loop of an optoelectronic oscillator (OEO) designed to implement an atomic clock based on an electromagnetically- induced-transparency (EIT) resonance. This scheme can be considered an alternative to the one described in Optical Injection Locking of a VCSEL in an OEO (NPO-43454), NASA Tech Briefs, Vol. 33, No. 7 (July 2009), page 33. Both schemes are expected to enable the development of small, low-power, high-stability atomic clocks that would be suitable for use in applications involving precise navigation and/or communication. To recapitulate from the cited prior article: In one essential aspect of operation of an OEO of the type described above, a microwave modulation signal is coupled into the VCSEL. Heretofore, it has been well known that the wavelength of light emitted by a VCSEL depends on its temperature and drive current, necessitating thorough stabilization of these operational parameters. Recently, it was discovered that the wavelength also depends on the microwave power coupled into the VCSEL. This concludes the background information. From the perspective that led to the conception of the optical injection-locking scheme described in the cited prior article, the variation of the VCSEL wavelength with the microwave power circulating in the frequency-control loop is regarded as a disadvantage and optical injection locking is a solution of the problem of stabilizing the wavelength in the presence of uncontrolled fluctuations in the microwave power. The present scheme for dynamic self-locking emerges from a different perspective, in which the dependence of VCSEL wavelength on microwave power is regarded as an advantageous phenomenon that can be exploited as a means of controlling the wavelength. The figure schematically depicts an atomic-clock OEO of the type in question, wherein (1) the light from the VCSEL is used to excite an EIT resonance in selected atoms in a gas cell (e.g., 87Rb atoms in a low-pressure mixture of Ar and Ne) and (2) the power supplied to the VCSEL is modulated by a microwave signal that includes components at beat frequencies among the VCSEL wavelength and modulation sidebands. As the VCSEL wavelength changes, it moves closer to or farther from a nearby absorption spectral line, and the optical power transmitted through the cell (and thus the loop gain) changes accordingly. A change in the loop gain causes a change in the microwave power and, thus, in the VCSEL wavelength. It is possible to choose a set of design and operational parameters (most importantly, the electronic part of the loop gain) such that the OEO stabilizes itself in the sense that an increase in circulating microwave power causes the VCSEL wavelength to change in a direction that results in an increase in optical absorption and thus a decrease in circulating microwave power. Typically, such an appropriate choice of operational parameters involves setting the nominal VCSEL wavelength to a point on the shorter-wavelength wing of an absorption spectral line.

Strekalov, Dmitry↗

Catalysts for ultrahigh current density oxygen cathodes for space fuel cell applications

The objective was to identify promising electrocatalyst/support systems for oxygen cathodes capable of operating at ultrahigh current densities in alkaline fuel cells. Such cells will require operation at relatively high temperatures and O2 pressures. A number of materials were prepared, including Pb-Ru and Pb-Ir pyrochlores, RuO2 and Pt-doped RuO2, lithiated NiO and La-Ni perovskites. Several of these materials were prepared using techniques that had not been previously used to prepare them. Particularly interesting was the use of the alkaline solution technique to prepare Pt-doped and Pb-Ru pyrochlores in high area form. Also interesting was the use of the fusion (melt) method for preparing the Pb-Ru pyrochlore. Several of the materials were also deposited with platinum. Well-crystallized Pb2Ru2O(7-y) was used to fabricate very high performance O2 cathodes with good stability in room temperature KOH. This material was also found to be stable over a useful potential range at approx. 140 C in concentrated KOH. For some of the samples, fabrication of the gas-fed electrodes could not be fully optimized during this project period. Future work may be directed at this problem. Pyrochlores that were not well-crystallized were found to be unstable in alkaline solution. Very good O2 reduction performance and stability were observed with Pb2RuO(7-y) in a carbon-based gas-fed electrode with an anion-conducting membrane placed on the electrolyte side of the electrode. The performance came within a factor of about two of that observed without carbon. High area platinum and gold supported on several conductive metal oxide supports were examined. Only small improvements in O2 reduction performance at room temperature were observed for Pb2Ru2O(7-y) as a support because of the high intrinsic activity of the pyrochlore. In contrast, a large improvement was observed for Li-doped NiO as a support for Pt. Very poor performance was observed for Au deposited on Li-NiO at approx. 150 C. Nearly reversible behavior was observed for the O2/OH(-) couple for Li-doped NiO at approx. 200 C. The temperature dependence for the O2 reduction was examined.

Tryk, Donald A.↗

Prevention of Dual-Mode Excitation in 9-Cell Cavities for LCLSII-HE

Dual-Mode Excitation, also referred to as mode-mixing, is a superposition of two fundamental pi modes in an SRF cavity. In 9-cell TESLA cavities used for the LCLSII-HE project, the two modes that are commonly excited are the pi mode (1300.2 MHz), and the 7/9 pi mode (1297.8 MHz). During vertical cavity qualification testing, only the pi mode is driven by the RF system. However, at high gradients, emitted power at the frequency of the 7/9 pi mode grows despite the RF system only powering the pi mode. When this happens, the RF power measurement system is unable to differentiate between the superimposed modes, and any data taken is invalid. The previous method of dealing with mode-mixing was to turn off power to the cavity, let both modes decay fully, then restore power. Because of the time-sensitive nature of this testing, this leads to underestimates of Q0 or any radiant field emission present in the cavity. The novel RF control solution prevents the 7/9 pi mode from being excited while not interfering with measurements of the fundamental pi mode. A second RF control system is connected to the cavity which drives the 7/9 pi mode. The loop phase for driving the 7/9 pi mode in self excited loop mode is determined then shifted by 180 degrees, thus providing a negative feedback to the undesired mode. Because this off-resonance power can be very small, on the order of milliwatts, it does not interfere with the high-power measurements of the fundamental pi mode. At Jefferson Lab, we are now able to test a cavity for the LCLSII-HE project with no problems from mode-mixing, which allows for CW processing of high-gradient multipacting and field emission.

Owen, Peter↗