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At least 775 records · Page 43

Acoustic levitation and manipulation for space applications

A wide spectrum of experiments to be performed in space in a microgravity environment require levitation and manipulation of liquid or molten samples. A novel acoustic method has been developed at JPL for controlling liquid samples without physical contacts. This method utilizes the static pressure generated by three orthogonal acoustic standing waves excited within an enclosure. Furthermore, this method will allow the sample to be rotated and/or oscillated by modifying the phase angles and/or the amplitude of the acoustic field. This technique has been proven both in our laboratory and in a microgravity environment provided by KC-135 flights. Samples placed within our chamber driven at (1,0,0), (0,1,0), and (0,0,1), modes were indeed levitated, rotated, and oscillated.

Wang, T. G.↗

Dissecting the structural heterogeneity of proteins by native mass spectrometry

Abstract A single gene yields many forms of proteins via combinations of posttranscriptional/posttranslational modifications. Proteins also fold into higher‐order structures and interact with other molecules. The combined molecular diversity leads to the heterogeneity of proteins that manifests as distinct phenotypes. Structural biology has generated vast amounts of data, effectively enabling accurate structural prediction by computational methods. However, structures are often obtained heterologously under homogeneous states in vitro. The lack of native heterogeneity under cellular context creates challenges in precisely connecting the structural data to phenotypes. Mass spectrometry (MS) based proteomics methods can profile proteome composition of complex biological samples. Most MS methods follow the “bottom‐up” approach, which denatures and digests proteins into short peptide fragments for ease of detection. Coupled with chemical biology approaches, higher‐order structures can be probed via incorporation of covalent labels on native proteins that are maintained at the peptide level. Alternatively, native MS follows the “top‐down” approach and directly analyzes intact proteins under nondenaturing conditions. Various tandem MS activation methods can dissect the intact proteins for in‐depth structural elucidation. Herein, we review recent native MS applications for characterizing heterogeneous samples, including proteins binding to mixtures of ligands, homo/hetero‐complexes with varying stoichiometry, intrinsically disordered proteins with dynamic conformations, glycoprotein complexes with mixed modification states, and active membrane protein complexes in near‐native membrane environments. We summarize the benefits, challenges, and ongoing developments in native MS, with the hope to demonstrate an emerging technology that complements other tools by filling the knowledge gaps in understanding the molecular heterogeneity of proteins.

59 BASIC BIOLOGICAL SCIENCES↗

New method for estimating bacterial cell abundances in natural samples by use of sublimation

We have developed a new method based on the sublimation of adenine from Escherichia coli to estimate bacterial cell counts in natural samples. To demonstrate this technique, several types of natural samples, including beach sand, seawater, deep-sea sediment, and two soil samples from the Atacama Desert, were heated to a temperature of 500 degrees C for several seconds under reduced pressure. The sublimate was collected on a cold finger, and the amount of adenine released from the samples was then determined by high-performance liquid chromatography with UV absorbance detection. Based on the total amount of adenine recovered from DNA and RNA in these samples, we estimated bacterial cell counts ranging from approximately 10(5) to 10(9) E. coli cell equivalents per gram. For most of these samples, the sublimation-based cell counts were in agreement with total bacterial counts obtained by traditional DAPI (4,6-diamidino-2-phenylindole) staining.

Evaluation Studies↗

Laser Induced Rotation of a Levitated Sample in Vacuum

A method of systematically controlling the rotational state of a sample levitated in a high vacuum using the photon pressure is described. A zirconium sphere was levitated in the high-temperature electrostatic levitator and it was rotated by irradiating it with a narrow beam of a high power laser on a spot off the center of mass.

laser induced rotation electrostatic levitator↗

Method for Measuring Thermal Conductivity of Small Samples Having Very Low Thermal Conductivity

This paper describes the development of a hot plate method capable of using air as a standard reference material for the steady-state measurement of the thermal conductivity of very small test samples having thermal conductivity on the order of air. As with other approaches, care is taken to ensure that the heat flow through the test sample is essentially one-dimensional. However, unlike other approaches, no attempt is made to use heated guards to block the flow of heat from the hot plate to the surroundings. It is argued that since large correction factors must be applied to account for guard imperfections when sample dimensions are small, it may be preferable to simply measure and correct for the heat that flows from the heater disc to directions other than into the sample. Experimental measurements taken in a prototype apparatus, combined with extensive computational modeling of the heat transfer in the apparatus, show that sufficiently accurate measurements can be obtained to allow determination of the thermal conductivity of low thermal conductivity materials. Suggestions are made for further improvements in the method based on results from regression analyses of the generated data.

Miller, Robert A.↗

Reference document for LANL stack sampling and ANSI N13.1 (Article) Gielow RL and McNamee MR 1993. Numerical Flue Gas Flow Modeling for Continuous Emissions Monitoring Applications. EPRI CEM Users Group Meeting. Baltimore. RP1961-13

American National Standard N13.1 “sets forth guidelines and performance criteria for sampling the emissions of airborne radioactive substances in the air discharge ducts and stacks of nuclear facilities. Emphasis is on extractive sampling from a location in a stack or duct where the contaminant is well mixed. At such a location, sampling may be conducted at a single point. This standard provides performance-based criteria for the use of air sampling probes, transport lines, sample collectors, sample monitoring instruments, and gas flow measuring methods. This standard also covers sampling program objectives, quality assurance issues, developing air sampling action levels, system optimization, and system performance verification. Workplace, containment, and environmental air monitoring are not addressed. Specific sample analysis methods and the reporting or interpreting of results are also not addressed.” (HPS 2011).

61 RADIATION PROTECTION AND DOSIMETRY↗

Densitometry By Acoustic Levitation

"Static" and "dynamic" methods developed for measuring mass density of acoustically levitated solid particle or liquid drop. "Static" method, unknown density of sample found by comparison with another sample of known density. "Dynamic" method practiced with or without gravitational field. Advantages over conventional density-measuring techniques: sample does not have to make contact with container or other solid surface, size and shape of samples do not affect measurement significantly, sound field does not have to be know in detail, and sample can be smaller than microliter. Detailed knowledge of acoustic field not necessary.

Trinh, Eugene H.↗

Determination of Total, Organic, and Inorganic Carbon in Biological Cultures and Liquid Fraction Process Samples

This procedure describes a method for analyzing dissolved and suspended total carbon, in organic and inorganic form in biological cultures, in the presence or absence of cells, and liquid fraction conversion process samples. This method calculates total organic carbon by subtraction of inorganic carbon, derived from sample acidification, from total dissolved carbon by combustion at 680°C with detection of derived gaseous CO 2 by a non-dispersive infrared (NDIR) sensor. The inclusion of details on a process step of heat treating biologically active samples before analysis can potentially halt biological activity, preserving carbon stores and allowing for accurate quantification of the carbon content at the time of sample collection.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗

A Multistage Stochastic Transmission Expansion Algorithm for Wide-Area Planning under Uncertainty

The overall objective for this project was to develop and demonstrate a set of methods for solving the transmission investment problem for a large network considering many possible scenarios of future conditions and multiple decision points when investments can be made. Project sub-objectives achieved this goal through a succession of extending the methods to apply to problems with increasing complexity or additional features, including the number of decision points, whether generation and transmission are co-optimized, and whether AC or DC power flow is used. A transmission model was developed for the Western Electric Coordinating Council (WECC) region, the high-voltage transmission system that serves the western third of the continental U.S. Using a dataset provided by WECC and by researchers from John Hopkins University, we have validated and demonstrated the model and used it to compare the new method for solving multi-stage stochastic transmission planning to several state-of-the-art techniques. The project has resulted in several key outcomes and achievements: The covariance-based method for choosing a small set of hours to represent short-term variability has superior performance in terms of accuracy to existing methods, including K-means clustering and Importance Sampling; The combined partitioning method for long-term uncertainty with the nested clustering approach for choosing representative hours for each long-term group has superior accuracy for equivalent computational effort compared with existing methods; Using the partitioning/clustering method combined with Sample Average Approximation provides both statistical bounds on the quality of the solution and at the same time, a complete investment plan for all contingencies in the full uncertainty set; no existing methods can provide both at the same time; The method is demonstrated to work well for choosing both transmission and generation investments; A variant on the method allows for both scenario selection and simultaneous correction for the error from the DC power flow approximation to provide a tractable method for AC power flow-based transmission planning under uncertainty; The method applied to the WECC case study demonstrates the additional value to the system operator and the consumer of identifying flexible investment options in the near-term decisions. In particular, the case study exhibits significant option value in postponing some transmission additions that appear useful but in some long-term system states create new congestion problems.

24 POWER TRANSMISSION AND DISTRIBUTION↗

Focused‐beam X‐ray fluorescence and diffraction microtomographies for mineralogical and chemical characterization of unsectioned extraterrestrial samples

Abstract This study describes the application of new synchrotron X‐ray fluorescence (XRF) and diffraction (XRD) microtomographies for the 3‐D visualization of chemical and mineralogical variations in unsectioned extraterrestrial samples. These improved methods have been applied to three compositionally diverse chondritic meteorite samples that were between 300 and 400 μm in diameter, including samples prepared from fragments of the CR2 chondrite LaPaz Icefield (LAP) 02342, H5 chondrite MacAlpine Hills (MAC) 88203, and the CM2 chondrite Murchison. The synchrotron‐based XRF and XRD tomographies used are focused‐beam techniques that measure the intensities of fluorescent and diffracted X‐rays in a sample simultaneously during irradiation by a high‐energy microfocused incident X‐ray beam. Measured sinograms of the emitted and diffracted intensities were then tomographically reconstructed to generate 2‐D slices of XRF and XRD intensity through the sample, with reconstructed pixel resolution of 1–2 μm, defined by the resolution of the focused incident X‐ray beam. For sample LAP 02342, primary mineral phases that were visualized in reconstructed slices using these techniques included isolated grains of α‐Fe, orthopyroxene, and olivine. For our sample of MAC 88203, XRF/XRD tomography allowed visualization of forsteritic olivine as a primary mineral phase, a vitrified fusion crust at the sample surface, identification of localized Cr‐rich spinels at spatial resolutions of several micrometers, and imaging of a plagioclase‐rich glassy matrix. In the sample of Murchison, major identifiable phases include clinoenstatite‐ and olivine‐rich chondrules, variable serpentine matrix minerals and small Cr‐rich spinels. Most notable in the tomographic analysis of Murchison is the ability to quantitatively distinguish and visualize the complex mixture of serpentine‐group minerals and associated tochilinite–cronstedtite intergrowths. These methods provide new opportunities for spatially resolved characterization of sample texture, mineralogy, crystal structure, and chemical state in unsectioned samples. This provides researchers an ability to characterize such samples internally with minimal disruption of sample micro‐structures and chemistry, possibly without the need for sample extraction from some types of sampling and capture media.

Geochemistry & Geophysics↗

Electrothermal vaporization as a new method for pre-inspection check samples

The use of electrothermal vaporization (ETV) has not been readily applied to nuclear safeguards or pre inspection check (PIC) sample analysis, even though the technique is ideally suited for low level (pg) isotopic quantification due to its high analyte transport efficiency. Here demonstrate the ETV method for PIC safeguard analysis. The ETV system is an automated, commercial of the shelf (COTS) technology, with the capability to introduce solid samples to a mass spectrometer platform. The system has been shown to simultaneously determine uranium assay, and the major isotopic ratios for uranium and plutonium. The ETV unit has demonstrated analysis up to 50 samples a day autonomously. The utilization of this ETV methodology provide a secondary option to the current PIC analysis and offers high throughput, enhanced sensitivity, and broader isotopic detection platform.

Hexel, Cole↗

Sample Sealing Approaches for Mars Sample Return Caching

Objective ot this project was to investigate sealing methods for encapsulating samples in 1 cm diameter thin-walled sample tubes applicable to future proposed Mars Sample Return Techniques implemented include a spring energized Teflon sleeve plug, a crimped tube seal, a heat-activated shape memory alloy plug, a shape memory alloy activated cap, a solder-based plug, and a solder-based cap

Mars Sample Return (MSR) mission↗

Machine-learning-based dynamic-importance sampling for adaptive multiscale simulations

Multiscale simulations are a well-accepted way to bridge the length and time scales required for scientific studies with the solution accuracy achievable through available computational resources. Traditional approaches either solve a coarse model with selective refinement or coerce a detailed model into faster sampling, both of which have limitations. Here, we present a paradigm of adaptive, multiscale simulations that couple different scales using a dynamic-importance sampling approach. Our method uses machine learning to dynamically and exhaustively sample the phase space explored by a macro model using microscale simulations and enables an automatic feedback from the micro to the macro scale, leading to a self-healing multiscale simulation. As a result, our approach delivers macro length and time scales, but with the effective precision of the micro scale. Our approach is arbitrarily scalable as well as transferable to many different types of simulations. Overall, our method made possible a multiscale scientific campaign of unprecedented scale to understand the interactions of RAS proteins with a plasma membrane in the context of cancer research running over several days on Sierra, which is currently the second-most-powerful supercomputer in the world.

59 BASIC BIOLOGICAL SCIENCES↗

Adaptive Data-Driven Deep-Learning Surrogate Model for Frontal Polymerization in Dicyclopentadiene

Frontal polymerization (FP) is a self-sustaining curing process that enables rapid and energy-efficient manufacturing of thermoset polymers and composites. Computational methods conventionally used to simulate the FP process are time-consuming, and repeating simulations are required for sensitivity analysis, uncertainty quantification, or optimization of the manufacturing process. Here, in this work, we develop an adaptive surrogate deep-learning model for FP of dicyclopentadiene (DCPD), which predicts the evolution of temperature and degree of cure orders of magnitude faster than the finite-element method (FEM). The adaptive algorithm provides a strategy to select training samples efficiently and save computational costs by reducing the redundancy of FEM-based training samples. The adaptive algorithm calculates the residual error of the FP governing equations using automatic differentiation of the deep neural network. A probability density function expressed in terms of the residual error is used to select training samples from the Sobol sequence space. The temperature and degree of cure evolution of each training sample are obtained by a 2D FEM simulation. The adaptive method is more efficient and has a better prediction accuracy than the random sampling method. With the well-trained surrogate neural network, the FP characteristics (front speed, shape, and temperature) can be extracted quickly from the predicted temperature and degree-of-cure fields.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗

Estimating the Adequacy of a Multi-Objective Optimization

Multi-objective optimization methods can be criticized for lacking a statistically valid measure of the quality and representativeness of a solution. This stance is especially relevant to metaheuristic optimization approaches but can also apply to other methods that typically might only report a small representative subset of a Pareto frontier. Here we present a method to address this deficiency based on random sampling of a solution space to determine, with a specified level of confidence, the fraction of the solution space that is surpassed by an optimization. The Superiority of Multi-Objective Optimization to Random Sampling, or SMORS method, can evaluate quality and representativeness using dominance or other measures, e.g., a spacing measure for high-dimensional spaces. SMORS has been tested in a combinatorial optimization context using a genetic algorithm but could be useful for other optimization methods.

42 ENGINEERING↗

Considerations in the design of life sciences research facilities for the Space Station

The facilities required for life science research on a permanent Space Station are examined. Specifications important to the designing of facilities and planning of activities on the Space Shuttle are: (1) the species to be tested, (2) the number and procedure for testing, (3) the number of specimens at each sampling time, (4) the analyses required, (5) the methods of preserving samples, instruments, and supplies, and (6) the amount of crew time required. Experiments which are relevant to understanding the effects of microgravity on living systems are to be performed on the Space Station. The design and instruments of a Space Station laboratory and specimen centrifuge are described.

Heinrich, M.↗

Development of improved space sampling strategies for ocean chemical properties: Total carbon dioxide and dissolved nitrate

Large-scale ocean observing programs such as the Joint Global Ocean Flux Study (JGOFS) and the World Ocean Circulation Experiment (WOCE) today, must face the problem of designing an adequate sampling strategy. For ocean chemical variables, the goals and observing technologies are quite different from ocean physical variables (temperature, salinity, pressure). We have recently acquired data on the ocean CO2 properties on WOCE cruises P16c and P17c that are sufficiently dense to test for sampling redundancy. We use linear and quadratic interpolation methods on the sampled field to investigate what is the minimum number of samples required to define the deep ocean total inorganic carbon (TCO2) field within the limits of experimental accuracy (+/- 4 micromol/kg). Within the limits of current measurements, these lines were oversampled in the deep ocean. Should the precision of the measurement be improved, then a denser sampling pattern may be desirable in the future. This approach rationalizes the efficient use of resources for field work and for estimating gridded (TCO2) fields needed to constrain geochemical models.

Goyet, Catherine↗