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DOE OSTI2023

Data for Evaluation of Strategies to Narrow the Product Chain-Length Distribution of Microbially Synthesized Free Fatty Acids

The dominant strategy for tailoring the chain-length distribution of free fatty acids (FFA) synthesized by heterologous hosts is expression of a selective acyl-acyl carrier protein (ACP) thioesterase. However, few of these enzymes can generate a precise (greater than 90% of a desired chain-length) product distribution when expressed in a microbial or plant host. The presence of alternative chain-lengths can complicate purification in situations where blends of fatty acids are not desired. We report the assessment of several strategies for improving the dodecanoyl-ACP thioesterase from the California bay laurel to exhibit more selective production of medium-chain free fatty acids to near exclusivity. We demonstrated that matrix-assisted laser desorption/ionization time-of-flight mass spectrometry (MALDI-ToF MS) was an effective library screening technique for identification of thioesterase variants with favorable shifts in chain-length specificity. This strategy proved to be a more effective screening technique than several rational approaches discussed herein. With this data, we isolated four thioesterase variants which exhibited a more selective FFA distribution over wildtype when expressed in the fatty acid accumulating E. coli strain, RL08. We then combined mutations from the MALDI isolates to generate BTE-MMD19, a thioesterase variant capable of producing free fatty acids consisting of 90% of C12 products. Of the four mutations which conferred a specificity shift, we noted that three affected the shape of the binding pocket, while one occurred on the positively charged acyl carrier protein landing pad. Finally, we fused the maltose binding protein (MBP) from E. coli to the N – terminus of BTE-MMD19 to improve enzyme solubility and achieve a titer of 1.9 g per L of twelve-carbon fatty acids in a shake flask.

Conversion↗

DOE OSTI2021

An Adaptive Tracking Algorithm for Convection in Simulated and Remote Sensing Data

A robust and computationally efficient object tracking algorithm is developed by incorporating various tracking techniques. Physical properties of the objects, such as brightness temperature or reflectivity, are not considered. Therefore, the algorithm is adaptable for tracking convection-like features in simulated data and remotely sensed two-dimensional images. In this algorithm, a first guess of the motion, estimated using the Fourier phase shift, is used to predict the candidates for matching. A disparity score is computed for each target–candidate pair. The disparity also incorporates overlapping criteria in the case of large objects. Then the Hungarian method is applied to identify the best pairs by minimizing the global disparity. The high-disparity pairs are unmatched, and their target and candidate are declared expired and newly initiated objects, respectively. They are tested for merger and split on the basis of their size and overlap with the other objects. The sensitivity of track duration is shown for different disparity and size thresholds. The report highlights the algorithm’s ability to study convective life cycles using radar and simulated data over Darwin, Australia. The algorithm skillfully tracks individual convective cells (a few pixels in size) and large convective systems. The duration of tracks and cell size are found to be lognormally distributed over Darwin. The evolution of size and precipitation types of isolated convective cells is presented in the Lagrangian perspective. This algorithm is part of a vision for a modular platform [viz., TINT is not TITAN (TINT) and Tracking and Object-Based Analysis of Clouds (tobac)] that will evolve into a sustainable choice to analyze atmospheric features.

54 ENVIRONMENTAL SCIENCES↗

NASA NTRS2013

The CACAO Method for Smoothing, Gap Filling, and Characterizing Seasonal Anomalies in Satellite Time Series

Consistent, continuous, and long time series of global biophysical variables derived from satellite data are required for global change research. A novel climatology fitting approach called CACAO (Consistent Adjustment of the Climatology to Actual Observations) is proposed to reduce noise and fill gaps in time series by scaling and shifting the seasonal climatological patterns to the actual observations. The shift and scale CACAO parameters adjusted for each season allow quantifying shifts in the timing of seasonal phenology and inter-annual variations in magnitude as compared to the average climatology. CACAO was assessed first over simulated daily Leaf Area Index (LAI) time series with varying fractions of missing data and noise. Then, performances were analyzed over actual satellite LAI products derived from AVHRR Long-Term Data Record for the 1981-2000 period over the BELMANIP2 globally representative sample of sites. Comparison with two widely used temporal filtering methods-the asymmetric Gaussian (AG) model and the Savitzky-Golay (SG) filter as implemented in TIMESAT-revealed that CACAO achieved better performances for smoothing AVHRR time series characterized by high level of noise and frequent missing observations. The resulting smoothed time series captures well the vegetation dynamics and shows no gaps as compared to the 50-60% of still missing data after AG or SG reconstructions. Results of simulation experiments as well as confrontation with actual AVHRR time series indicate that the proposed CACAO method is more robust to noise and missing data than AG and SG methods for phenology extraction.

LAI↗

DOE OSTI2021

Gaussian processes for autonomous data acquisition at large-scale synchrotron and neutron facilities

The execution and analysis of complex experiments are challenged by the vast dimensionality of the underlying parameter spaces. Although an increase in data-acquisition rates should allow broader querying of the parameter space, the complexity of experiments and the subtle dependence of the model function on input parameters remains daunting owing to the sheer number of variables. New strategies for autonomous data acquisition are being developed, with one promising direction being the use of Gaussian process regression (GPR). GPR is a quick, non-parametric and robust approximation and uncertainty quantification method that can be applied directly to autonomous data acquisition. We review GPR-driven autonomous experimentation and illustrate its functionality using real-world examples from large experimental facilities in the USA and France. We introduce the basics of a GPR-driven autonomous loop with a focus on Gaussian processes, and then shift the focus to the infrastructure that needs to be built around GPR to create a closed loop. Finally, the case studies we discuss show that Gaussian-process-based autonomous data acquisition is a widely applicable method that can facilitate the optimal use of instruments and facilities by enabling the efficient acquisition of high-value datasets.

36 MATERIALS SCIENCE↗

NASA NTRS2024

3D Scanning System to Assess Gravity-Dependent Body Shape Changes

The human body shows unique physiological and morphological changes when exposed to different gravity conditions, including muscle atrophy, fluid shift, spinal elongation, and body posture adjustments. Such changes need to be incorporated for human-system integration in the vehicle habitat, garment, and spacesuit designs, as inaccurate body measurements can result in suboptimal crew protection that can potentially decrease injury tolerance. However, the traditional linear measurements, such as stature, segment lengths or circumferences measured using a caliper or tape measure, often show limited consistency and are unable to capture the nonlinear characteristics of the human body. While 3D body scanning can provide significant advantages over linear measurements, the technologies have not been fully developed or customized for in-flight scanning. For ground laboratory use, several different scanner types are commercially available. However, in-flight scanning requires additional technical considerations, such as minimal scan time, simplified calibration, and sufficient capture volume. This work aims to develop a prototype 3-D body scanning system that is customized for in-flight use to scan crewmembers, with the configuration and performance optimized for detecting known gravity-dependent body shape and posture changes. A hardware system will be custom built using a network of commercial off-the-shelf 3D sensors. The sensor parameters and settings will be optimized to detect the targeted body shape changes, specifically using body manikins of which the shape and size are iteratively permuted to simulate the known changes by fluid shift and spinal elongation. The capture volume will be also matched for a range of body sizes from a 1st percentile female to 99th percentile male. Unintentional body motions or floating in microgravity will be also simulated and incorporated. A data acquisition software will be developed for efficient in-flight operations with minimal overhead and easy-to-use user interface. A simplified calibration procedure will be designed for robust scanning against frequent vibration or unexpected sensor position shifts. The system will be tested in the ground laboratory for accuracy and reliability against a reference scanning system. New anthropometry measurements will be also identified to sensitively capture the gravity dependent body shape changes, in addition to the traditional anthropometry measurements. A novel landmark-based technique will be tested for consistent anthropometry measurements across posture variations. If successfully developed and deployed, the new system is expected to provide previously unavailable body shape and size data from different gravitational environments, including 0-g, 1/6-g, and 1-g. Such data can improve suit fit, habitat design, exercise efficacy quantification and sizing of orthostatic intolerance garments.

K H Kim↗

NASA NTRS2024

3D Scanning System to Assess Gravity-Dependent Body Shape Changes

K H Kim↗

NASA NTRS1998

Development of UV Optical Measurements of Nitric Oxide and Hydroxyl Radical at the Exit of High Pressure Gas Turbine Combustors

Measurements of nitric oxide (NO) and hydroxyl radical (OR) have been made in a laboratory flat flame at pressures up to 30 atm using line-of-sight resonant absorption. Data are reported at equivalence ratios of 0.98 and 1.3 and pressures of 1, 5, 10, 20 and 30 atm. The performance of the in-situ LTV absorption technique with assessed at these elevated pressures by comparing the measured absorption with those predicted by detailed theoretical spectroscopic models for NO and OH. Previous to this experiment the resonant models had not been verified at pressures greater than two atmospheres. Agreement within 25% was found between the measurements and predictions with only slight modification of the existing models for both NO and OH to account for line center shifting and pressure broadening. Continuum interference of hot oxygen (O2) on the NO absorption spectra was not significant in the interpretation of the data. The optical methods used in this study are distinct from laser-based diagnostics such as laser induced fluorescence and, hence, have the potential to provide independent verification of the laser-based measurements. The methodology is also of sufficient simplicity to be hardened into a portable optical measurement system that can be deployed in gas turbine engine test cells. A miniature fiber optic couple portable instrument is described.

Liscinsky, D. S.↗

NASA NTRSDate not supplied

IMERG Multi-Satellite Products Across Two Decades

The Version 06 Global Precipitation Measurement (GPM) mission products were completed over the last year, capping five years of development since the launch of the GPM Core Observatory, and covering the joint Tropical Rainfall Measuring Mission (TRMM) and GPM eras with consistently processed algorithms. The U.S. GPM team’s Integrated Multi-satellitE Retrievals for GPM (IMERG) merged precipitation product enforces a consistent intercalibration for all precipitation products computed from individual satellites with the TRMM and GPM Core Observatory sensors as the TRMM- and GPM-era calibrators, respectively, and incorporates monthly surface gauge data in the Final (research) product. Mid-latitude calibrations during the TRMM era necessarily are more approximate because TRMM only covered the latitude band 35°N-S, while GPM covers 65°N-S. Starting in V06, IMERG employs precipitation motion vectors (used to drive the quasi-Lagrangian interpolation, or “morphing”) that are computed by tracking the vertically integrated vapor as analyzed in MERRA2 and GEOS FP. This approach covers the entire globe, expanding coverage beyond the 60°N-S latitude band provided by IR-based vectors in previous versions, although we choose to mask out microwave-based precipitation over snowy/icy surfaces as unreliable. We will provide examples of performance for the V06 IMERG products, including comparison with the long-term record of GPCP and TMPA, showing higher values by about 8% in the latitude band 50°N-S over oceans; diurnal cycle, demonstrating improvement over previous versions; and daily precipitation PDFs for the entire record, showing a shift at the TRMM/GPM boundary, as well as interannual variations. These analyses have important implications for the utility of V06 IMERG data for long-record calculations. Finally, we will review the retirement of the predecessor TMPA multi-satellite dataset.

George J. Huffman↗

NASA NTRS2005

Methodology for the Elimination of Reflection and System Vibration Effects in Particle Image Velocimetry Data Processing

A methodology to eliminate model reflection and system vibration effects from post processed particle image velocimetry data is presented. Reflection and vibration lead to loss of data, and biased velocity calculations in PIV processing. A series of algorithms were developed to alleviate these problems. Reflections emanating from the model surface caused by the laser light sheet are removed from the PIV images by subtracting an image in which only the reflections are visible from all of the images within a data acquisition set. The result is a set of PIV images where only the seeded particles are apparent. Fiduciary marks painted on the surface of the test model were used as reference points in the images. By locating the centroids of these marks it was possible to shift all of the images to a common reference frame. This image alignment procedure as well as the subtraction of model reflection are performed in a first algorithm. Once the images have been shifted, they are compared with a background image that was recorded under no flow conditions. The second and third algorithms find the coordinates of fiduciary marks in the acquisition set images and the background image and calculate the displacement between these images. The final algorithm shifts all of the images so that fiduciary mark centroids lie in the same location as the background image centroids. This methodology effectively eliminated the effects of vibration so that unbiased data could be used for PIV processing. The PIV data used for this work was generated at the NASA Langley Research Center Quiet Flow Facility. The experiment entailed flow visualization near the flap side edge region of an airfoil model. Commercial PIV software was used for data acquisition and processing. In this paper, the experiment and the PIV acquisition of the data are described. The methodology used to develop the algorithms for reflection and system vibration removal is stated, and the implementation, testing and validation of these algorithms are presented.

Bremmer, David M.↗

DOE OSTI2022

Nramp: Deprive and conquer?

Solute carriers 11 (Slc11) evolved from bacterial permease (MntH) to eukaryotic antibacterial defense (Nramp) while continuously mediating proton (H+)-dependent manganese (Mn2+) import. Also, Nramp horizontal gene transfer (HGT) toward bacteria led to mntH polyphyly. Prior demonstration that evolutionary rate-shifts distinguishing Slc11 from outgroup carriers dictate catalytic specificity suggested that resolving Slc11 family tree may provide a function-aware phylogenetic framework. Hence, MntH C (MC) subgroups resulted from HGTs of prototype Nramp (pNs) parologs while archetype Nramp (aNs) correlated with phagocytosis. PHI-Blast based taxonomic profiling confirmed MntH B phylogroup is confined to anaerobic bacteria vs. MntH A (MA)’s broad distribution; suggested niche-related spread of MC subgroups; established that MA-variant MH, which carries ‘eukaryotic signature’ marks, predominates in archaea. Slc11 phylogeny shows MH is sister to Nramp. Site-specific analysis of Slc11 charge network known to interact with the protonmotive force demonstrates sequential rate-shifts that recapitulate Slc11 evolution. 3D mapping of similarly coevolved sites across Slc11 hydrophobic core revealed successive targeting of discrete areas. The data imply that pN HGT could advantage recipient bacteria for H+-dependent Mn2+ acquisition and Alphafold 3D models suggest conformational divergence among MC subgroups. It is proposed that Slc11 originated as a bacterial stress resistance function allowing Mn2+-dependent persistence in conditions adverse for growth, and that archaeal MH could contribute to eukaryogenesis as a Mn2+ sequestering defense perhaps favoring intracellular growth-competent bacteria.

59 BASIC BIOLOGICAL SCIENCES↗

NASA NTRS2020

Assessment of Temperature-Dependent Regression Model Terms of a RUAG Six-Component Block-Type Balance

A metric called the percent contribution was applied to regression models of temperature-dependent calibration data of a RUAG six-component block-type balance in order to assess the influence of temperature-dependent regression model terms on the balance load prediction. Regression models were examined that are needed if either the Iterative or the Non-Iterative Method is used for the load prediction. Computed values of the percent contribution confirmed that the cross-product term defined by a primary load and the temperature difference is the most influential temperature-dependent term of the regression model of a primary output that the Iterative Method needs. Similarly, the analysis showed that the cross-product term defined by a primary output and the temperature difference is the most influential temperature-dependent term of the regression model of a primary load that the Non-Iterative Method needs. Computed results support conclusions that were reported in an earlier theoretical study. This study asserted that the cross-product term defined by a primary load or output and the temperature difference models the temperature-dependent shift of the gage sensitivity. The influence of other temperature-dependent terms used in the regression models of the calibration data of RUAG's balance was negligible. This observation may be explained by the fact that RUAG's block-type balances have highly linear characteristics. Overall, the percent contribution has proven itself to be a reliable and easy-to-implement metric that may also be used for the assessment of the influence of temperature-dependent regression model terms on the load prediction of a six-component strain-gage balance.

Ulbrich, N.↗

NASA NTRS1982

Radar research on thunderstorms and lightning

Applications of Doppler radar to detection of storm hazards are reviewed. Normal radar sweeps reveal data on reflectivity fields of rain drops, ionized lightning paths, and irregularities in humidity and temperature. Doppler radar permits identification of the targets' speed toward or away from the transmitter through interpretation of the shifts in the microwave frequency. Wind velocity fields can be characterized in three dimensions by the use of two radar units, with a Nyquist limit on the highest wind speeds that may be recorded. Comparisons with models numerically derived from Doppler radar data show substantial agreement in storm formation predictions based on information gathered before the storm. Examples are provided of tornado observations with expanded Nyquist limits, gust fronts, turbulence, lightning and storm structures. Obtaining vertical velocities from reflectivity spectra is discussed.

Rust, W. D.↗

NASA NTRS2009

Facilitating Heliophysics Research by the Virtual Wave Observatory (VWO) Context Data Search Capability

Wave phenomena, ranging from freely propagating electromagnetic radiation (e.g., solar radio bursts, AKR) to plasma wave modes trapped in various plasma regimes (e.g., whistlers, Langmuir and ULF waves) and atmospheric gravity waves, are ubiquitous in the heliosphere. Because waves can propagate, wave data obtained at a given observing location may pertain to wave oscillations generated locally or from afar. While wave data analysis requires knowledge of wave characteristics specific to different wave modes, the search for appropriate data for heliophysics wave studies also requires knowledge of wave phenomena. In addition to deciding whether the interested wave activity is electrostatic (i.e., locally trapped) or electromagnetic (with propagation over distances), considerations must be given to the dependence of the wave activity on observer's location or viewing geometry, propagating frequency range and whether the wave data were acquired by passive or active observations. Occurances of natural wave emissions i the magnetosphere (e.g, auroral kilometric radiation) are often dependent also on the state (e.e., context) of the magnetosphere that varies with the changing solar wind, IMF and geomagnetic conditions. Fung and Shao [2008] showed recently that magnetospheric state can be specified by a set of suitably time-shifted solar wind, IMF and the multi-scale geomagnetic response parameters. These parameters form a magnetospheric state vector that provides the basis for searching magnetospheric wave data by their context conditions. Using the IMAGE Radio Plasma Imager (RPI) data and the NASA Magnetospheric State Query System (MSOS) [Fung, 2004], this presentation demonstrates the VWO context data search capability under development and solicits feedback from the Heliophysics research community for improvements.

Fung, Shing F.↗

DOE OSTI2022

Data for Valorization of Miscanthus x giganteus for Sustainable Recovery of Anthocyanins and Enhanced Production of Sugars

The increased awareness for eco-friendliness and sustainability has shifted the interest of stakeholders from synthetic colors to natural plant-based pigments. In this study, purple stemmed Miscanthus x giganteus was evaluated as a source of anthocyanins. Hydrothermal pretreatment was studied as a green, chemical-free process for recovering maximum anthocyanins in the pretreatment liquor. The highest recovery of 94.3 ± 1.5% w/w of the total anthocyanin concentration was obtained for a temperature and time combination of 170 °C and 10 min. The pretreatment also improved the enzymatic digestibility of the biomass and led to a 2.1-fold increase in the overall recovery of glucose (70.6 ± 0.5% w/w) at the end of 72 h. The sugar monomers obtained after the enzymatic hydrolysis of the pretreated biomass could be used for the production of biofuels or biochemicals in an integrated biorefinery based on purple-stemmed miscanthus. Overall, this study demonstrates that the clean pretreatment method developed could lead to an additional product stream (rich in anthocyanins) along with its effect in reducing the recalcitrance of miscanthus biomass.

Biomass Analytics↗

NASA NTRS2014

Facial Soft Tissue Measurement in Microgravity-induces Fluid Shifts

Fluid shifts are a well‐known phenomenon in microgravity, and one result is facial edema. Objective measurement of tissue thickness in a standardized location could provide a correlate with the severity of the fluid shift. Previous studies of forehead tissue thickness (TTf) suggest that when exposed to environments that cause fluid shifts, including hypergravity, head‐down tilt, and high‐altitude/lowpressure, TTf changes in a consistent and measurable fashion. However, the technique in past studies is not well described or standardized. The International Space Station (ISS) houses an ultrasound (US) system capable of accurate sub‐millimeter measurements of TTf. We undertook to measure TTf during long‐duration space flight using a new accurate, repeatable and transferable technique. Methods: In‐flight and post‐flight B‐mode ultrasound images of a single astronaut's facial soft tissues were obtained using a Vivid‐q US system with a 12L‐RS high‐frequency linear array probe (General Electric, USA). Strictly mid‐sagittal images were obtained involving the lower frontal bone, the nasofrontal angle, and the osseo‐cartilaginous junction below. Single images were chosen for comparison that contained identical views of the bony landmarks and identical acoustical interface between the probe and skin. Using Gingko CADx DICOM viewing software, soft tissue thickness was measured at a right angle to the most prominent point of the inferior frontal bone to the epidermis. Four independent thickness measurements were made. Conclusions: Forehead tissue thickness measurement by ultrasound in microgravity is feasible, and our data suggest a decrease in tissue thickness upon return from microgravity environment, which is likely related to the cessation of fluid shifts. Further study is warranted to standardize the technique with regard to the individual variability of the local anatomy in this area.

Marshburn, Thomas↗

DOE OSTI2021

Lattice Dynamics and Structural Phase Transitions in Eu 2 O 3

Using the density functional theory, we study the structural and lattice dynamical properties of europium sesquioxide (Eu 2 O 3 ) in the cubic, trigonal, and monoclinic phases. The obtained lattice parameters and energies of the Raman modes show a good agreement with the available experimental data. The Eu-partial phonon density of states calculated for the cubic structure is compared with the nuclear inelastic scattering data obtained from a 20 nm thick Eu 2 O 3 film deposited on a YSZ substrate. A small shift of the experimental spectrum to higher energies results from a compressive strain induced by the substrate. On the basis of lattice and phonon properties, we analyze the mechanisms of structural transitions between different phases of Eu 2 O 3 .

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗

DOE OSTI2024

Comparison of Americium(III) and Neodymium(III) Monothiophosphate Complexes

Mixed-donor ligands, such as those containing a combination of O/N or O/S, have been studied extensively for the selective extraction of trivalent actinides, especially Am 3+ and Cm3+, from lanthanides during the recycling of used nuclear fuel. Oxygen/sulfur donor ligand combinations also result from the hydrolytic and/or radiolytic degradation of dithiophosphates, such as the Cyanex® class of extractants, that are initially converted to monothiophosphates. To understand potential differences between the binding of such degraded ligands to Nd 3+ and Am 3+ , the monothiophosphate complexes [M(OPS(OEt) 2 ) 5 (H 2 O) 2 ] 2- (M 3+ = Nd 3+ , Am 3+ ) were prepared and characterized by single crystal X-ray diffraction and optical spectroscopy and studied as a function of pressure up ca. 14 GPa using diamond-anvil techniques. Although Nd 3+ and Am 3+ have nearly identical eight-coordinated ionic radii, these structures reveal that while the M-O bond distances in these complexes are nearly equal that the M-S distances are statistically different. Moreover, for [Nd(OPS(OEt) 2 ) 5 (H 2 O) 2 ] 2- , the hypersensitive 4 I 9/2 → 4 G 5 / 2 transition shifts as a function of pressure by -11 cm -1 /GPa. Whereas for [Am(OPS(OEt) 2 ) 5 (H 2 O) 2 ] 2- , the 7 F 0 → 7 F 6 transition shows a slightly stronger pressure dependence with a shift of -13 cm -1 /GPa and also exhibits broadening of the 5f →5f transitions at high pressures. This data likely indicates an increased involvement of the 5f orbitals in bonding to Am 3+ relative to that of Nd 3+ in these complexes.

38 RADIATION CHEMISTRY, RADIOCHEMISTRY, AND NUCLEA↗

DOE OSTI2023

Desolvation Processes in Channel Solvates of Niclosamide

The antiparasitic drug niclosamide (NCL) is notable for its ability to crystallize in multiple 1:1 channel solvate forms, none of which are isostructural. Here, using a combination of time-resolved synchrotron powder X-ray diffraction and thermogravimetry, the process-induced desolvation mechanisms of methanol and acetonitrile solvates are investigated. Structural changes in both solvates follow a complicated molecular-level trajectory characterized by a sudden shift in lattice parameters several degrees below the temperature where the desolvated phase first appears. Model fitting of kinetic data obtained under isothermal heating conditions suggests that the desolvation is rate-limited by the nucleation of the solvent-free product. The desolvation pathways identified in these systems stand in contrast to previous investigations of the NCL channel hydrate, where water loss by diffusion initially yields an anhydrous isomorph that converts to the thermodynamic polymorph at significantly higher temperatures. Taking the view that each solvate lattice is a unique “pre-organized” precursor, a comparison of the pathways from different starting topologies to the same final product provides the opportunity to reevaluate assumptions of how various factors (e.g., solvent binding strength, density) influence solid-state desolvation processes.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗