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All sources NASA NTRS DOE OSTI

DOE OSTI2022

Universal relations for neutron star 𝑓-mode and 𝑔-mode oscillations

Among the various oscillation modes of neutron stars, 𝑓- and 𝑔- modes are the most likely to be ultimately observed in binary neutron star mergers due to their relatively large coupling and shared frequencies with tidal excitations. The 𝑓-mode frequency and damping time are known to correlate in normal neutron stars with their compactness, and previous fits to hadronic stars are extended and shown to be valid for an extremely broad sampling of equations of state using a piecewise polytropic parametrization scheme for hadrons and a constant sound-speed parametrization for quark matter. Separate fits applicable to quark (self-bound) stars are improved. Much more significant correlations exist with tidal deformability, and therefore with moment of inertia and quadrupole moment. It is conclusively demonstrated that these correlations are the same for all types of stars, whether hadronic, hybrid, or pure quark, and its accuracy is quantified. A novel 1-node branch of the 𝑓-mode that occurs in low-mass hybrid stars in a narrow mass range just beyond the critical mass necessary for a phase transition to appear is identified. This 1-node branch shows the largest, but still small, deviations from the universal correlation for any configuration. It is characterized by a nonmonotonic relation between neutron star mass and 𝑓-mode frequency, in contrast to the behavior otherwise observed in normal, quark and hybrid stars. The 𝑔-mode only exists in matter with a nonbarotropic equation of state involving temperature, chemical potential or composition (such as being out of beta equilibrium), or a phase transition in barotropic matter. Here, the 𝑔-mode therefore could serve as a probe for studying phase transitions in hybrid stars. In contrast with the 𝑓-mode, 𝑔-mode frequencies do not correlate well with tidal deformability, but depend strongly on properties of the transition (the density and the magnitude of the discontinuity) at the transition. Imposing causality and maximum mass constraints, a fit involving neutron star and phase transition properties is found and the 𝑔-mode frequency is determined to have an upper bound of about 1.25 kHz. However, if the sound speed 𝑐𝑠 in the inner core at densities above the phase transition density is restricted to 𝑐$^{2}_{𝑠}$ ≤1/3, 𝑔-mode frequencies can only reach about 0.8 kHz, which are significantly lower than 𝑓-mode frequencies (1.3–2.8 kHz). 𝑔-mode gravitational wave damping times are found to be extremely long, >10 4 s (102 s) in the inner core with 𝑐$^{2}_{𝑠}$ ≤1/3 (1), in comparison with 𝑓-mode damping times (0.1–1 s).

Composition of astronomical objects↗

DOE OSTI2021

Adoption of perennial energy crops in the US Midwest: Causal and heterogeneous determinants

The success of a bioenergy policy relies largely on the wide adoption of perennial energy crops at the farm-scale. This study uses survey data to examine potential adoption decisions by farmers in the US Midwest and the causal effects of various direct and indirect influencing factors, especially heterogeneous preferences of farmers. A Bayesian network (BN) model is developed to delineate the causal-relationship between farmers adoption decisions and the influencing factors. Here, we find a dominating role of economic factors and a non-negligible impact of non-economic factors, such as the perceived environmental benefits and the extent of familiarity with perennial energy crops. To examine the effect of heterogeneity in farmer preferences, we classify the surveyed farmers into four categories based on their attitudes toward the economic, social, and environmental dimensions of perennial energy crops. We identify statistically significant between-group differences in the responses of the four types of farmers to the various influencing factors. Our findings contribute to disentangling the complicated motivations that will influence perennial energy crop adoption decisions and provide implications for more targeted policy development that need to consider the heterogeneous drivers of farmer decisions about land use.

09 BIOMASS FUELS↗

NASA NTRS1995

Causal correlation of foliar biochemical concentrations with AVIRIS spectra using forced entry linear regression

A major goal of airborne imaging spectrometry is to estimate the biochemical composition of vegetation canopies from reflectance spectra. Remotely-sensed estimates of foliar biochemical concentrations of forests would provide valuable indicators of ecosystem function at regional and eventually global scales. Empirical research has shown a relationship exists between the amount of radiation reflected from absorption features and the concentration of given biochemicals in leaves and canopies (Matson et al., 1994, Johnson et al., 1994). A technique commonly used to determine which wavelengths have the strongest correlation with the biochemical of interest is unguided (stepwise) multiple regression. Wavelengths are entered into a multivariate regression equation, in their order of importance, each contributing to the reduction of the variance in the measured biochemical concentration. A significant problem with the use of stepwise regression for determining the correlation between biochemical concentration and spectra is that of 'overfitting' as there are significantly more wavebands than biochemical measurements. This could result in the selection of wavebands which may be more accurately attributable to noise or canopy effects. In addition, there is a real problem of collinearity in that the individual biochemical concentrations may covary. A strong correlation between the reflectance at a given wavelength and the concentration of a biochemical of interest, therefore, may be due to the effect of another biochemical which is closely related. Furthermore, it is not always possible to account for potentially suitable waveband omissions in the stepwise selection procedure. This concern about the suitability of stepwise regression has been identified and acknowledged in a number of recent studies (Wessman et al., 1988, Curran, 1989, Curran et al., 1992, Peterson and Hubbard, 1992, Martine and Aber, 1994, Kupiec, 1994). These studies have pointed to the lack of a physical link between wavelengths chosen by stepwise regression and the biochemical of interest, and this in turn has cast doubts on the use of imaging spectrometry for the estimation of foliar biochemical concentrations at sites distant from the training sites. To investigate this problem, an analysis was conducted on the variation in canopy biochemical concentrations and reflectance spectra using forced entry linear regression.

Dawson, Terence P.↗

NASA NTRSDate not supplied

Dissertation Defense: Three Papers on Organizational Decision-Making and Change at NASA Goddard Space Flight Center

This is a three-paper dissertation that responds to a call for empirical research on stakeholder influence in the implementation of evaluation recommendations. The literature is consistent but mostly theoretical: stakeholder participation should positively influence and increase the probability of implementation (see e.g., Christie, 2011; Cousins & Earl, 1992; Fetterman, 2004). In response, I use two Goddard Space Flight Center engineering technical training and development programs to build a causal argument supporting my proposition that stakeholder influence in the logic modeling process impacts organizational decision-making and change. I first introduce the logic modeling process as a tool to involve stakeholders in program and evaluation design (paper 1); then use the data collection process to implement the collaboratively constructed logic model outcomes (paper 2); and, finally, I triangulate the data using the Toal (2009) Evaluation Involvement Scale (paper 3). I do this to “increase the validity of the findings” (Noble & Heale, 2019, p. 67) and to garner potential mechanisms. I found that stakeholder participation in the logic modeling process positively influenced the use of data to inform recommendations which in turn positively influenced implementation of evaluation recommendations. I identified the process itself as the mechanism and the key decision points as links or influencers. Potential factors included power and interest (measured by role) and time-on-job.

organizational decision-making↗

NASA NTRS2023

The Impact (Influence) of Stakeholder Participation in the Logic Modeling Process: A Case Study from NASA Goddard Space Flight Center

This is a three-paper dissertation that responds to a call for empirical research on stakeholder influence in the implementation of evaluation recommendations. The literature is consistent but mostly theoretical: stakeholder participation should positively influence and increase the probability of implementation (see e.g., Christie, 2011; Cousins and Earl, 1992); Fetterman, 2004). In response, I use two Goddard Space Flight Center engineering technical training and development programs to build a causal pathway argument supporting my proposition that stakeholder influence in the logic modeling process impacts organizational decision-making and change. I first introduce the logic modeling process as a tool to involve stakeholders in program and evaluation design (paper 1), then use the data collection process to implement the collaboratively constructed logic model outcomes (paper 2), and finally, I triangulate the data using the Toal (2009) Evaluation Involvement Scale (paper 3). I do this to “increase the validity of the findings” (Noble & Heale, 2019, p. 67) and to garner potential mechanisms. I found that stakeholder participation in the logic modeling process positively influenced the use of data to inform recommendations which in turn positively influenced implementation of evaluation recommendations. I identified the process itself as the mechanism and the key decision points as links or influencers. Potential factors included power and interest (measured by role) and time-on-job.

Organizational Decision-Making↗

DOE OSTI2021

Measurement of Volatile Compounds for Real-Time Analysis of Soil Microbial Metabolic Response to Simulated Snowmelt

Snowmelt dynamics are a significant determinant of microbial metabolism in soil and regulate global biogeochemical cycles of carbon and nutrients by creating seasonal variations in soil redox and nutrient pools. With an increasing concern that climate change accelerates both snowmelt timing and rate, obtaining an accurate characterization of microbial response to snowmelt is important for understanding biogeochemical cycles intertwined with soil. However, observing microbial metabolism and its dynamics non-destructively remains a major challenge for systems such as soil. Microbial volatile compounds (mVCs) emitted from soil represent information-dense signatures and when assayed non-destructively using state-of-the-art instrumentation such as Proton Transfer Reaction-Time of Flight-Mass Spectrometry (PTR-TOF-MS) provide time resolved insights into the metabolism of active microbiomes. In this study, we used PTR-TOF-MS to investigate the metabolic trajectory of microbiomes from a subalpine forest soil, and their response to a simulated wet-up event akin to snowmelt. Using an information theory approach based on the partitioning of mutual information, we identified mVC metabolite pairs with robust interactions, including those that were non-linear and with time lags. The biological context for these mVC interactions was evaluated by projecting the connections onto the Kyoto Encyclopedia of Genes and Genomes (KEGG) network of known metabolic pathways. Simulated snowmelt resulted in a rapid increase in the production of trimethylamine (TMA) suggesting that anaerobic degradation of quaternary amine osmo/cryoprotectants, such as glycine betaine, may be important contributors to this resource pulse. Unique and synergistic connections between intermediates of methylotrophic pathways such as dimethylamine, formaldehyde and methanol were observed upon wet-up and indicate that the initial pulse of TMA was likely transformed into these intermediates by methylotrophs. Increases in ammonia oxidation signatures (transformation of hydroxylamine to nitrite) were observed in parallel, and while the relative role of nitrifiers or methylotrophs cannot be confirmed, the inferred connection to TMA oxidation suggests either a direct or indirect coupling between these processes. Overall, it appears that such mVC time-series from PTR-TOF-MS combined with causal inference represents an attractive approach to non-destructively observe soil microbial metabolism and its response to environmental perturbation.

59 BASIC BIOLOGICAL SCIENCES↗

DOE OSTI2024

Oblique instability of quasi-parallel whistler waves in the presence of cold and warm electron populations

Whistler waves propagating nearly parallel to the ambient magnetic field experience a nonlinear instability due to transverse currents when the background plasma has a population of sufficiently low energy electrons. Intriguingly, this nonlinear process may generate oblique electrostatic waves, including whistlers near the resonance cone with properties resembling oblique chorus waves in the Earth’s magnetosphere. Focusing on the generation of oblique whistlers, earlier analysis of the instability is extended here to the case where low-energy background plasma consists of both a “cold” population with energy of a few eV and a “warm” electron component with energy of the order of 100 eV. This is motivated by spacecraft observations in the Earth’s magnetosphere where oblique chorus waves were shown to interact resonantly with the warm electrons. The main new results are: 1) the instability producing oblique electrostatic waves is sensitive to the shape of the electron distribution at low energies. In the whistler range of frequencies, two distinct peaks in the growth rate are typically present for the model considered: a peak associated with the warm electron population at relatively low wavenumbers and a peak associated with the cold electron population at relatively high wavenumbers; 2) overall, the instability producing oblique whistler waves near the resonance cone persists (with a reduced growth rate) even in the cases where the temperature of the cold population is relatively high, including cases where cold population is absent and only the warm population is included; 3) particle-in-cell simulations show that the instability leads to heating of the background plasma and formation of characteristic plateau and beam features in the parallel electron distribution function in the range of energies resonant with the instability. The plateau/beam features have been previously detected in spacecraft observations of oblique chorus waves. However, they have been attributed to external sources and have been proposed to be the mechanism generating oblique chorus. In the present scenario, the causality link is reversed and the instability generating oblique whistler waves is shown to be a possible mechanism for formation of the plateau and beam features.

79 ASTRONOMY AND ASTROPHYSICS↗

NASA NTRS2024

Oblique Instability of Quasi-Parallel Whistler Waves in the Presence of Cold and Warm Electron Populations

Vadim Roytershteyn↗

DOE OSTI2024

New insights into supradense matter from dissecting scaled stellar structure equations

The strong-field gravity in general relativity (GR) realized in neutron stars (NSs) renders the equation of state (EOS) P(ε) of supradense neutron star matter to be essentially nonlinear and refines the upper bound for Φ ≡ P/ε to be much smaller than the special relativity (SR) requirement with linear EOSs, where P and ε are respectively the pressure and energy density of the system considered. Specifically, a tight bound Φ ≲ 0.374 is obtained by perturbatively anatomizing the intrinsic structures of the scaled Tolman–Oppenheimer–Volkoff (TOV) equations without using any input nuclear EOS. New insights gained from this novel analysis provide EOS-model-independent constraints on the properties (e.g., density profiles of the sound speed squared s 2 = dP/dε and trace anomaly Δ = 1/3 – Φ) of cold supradense matter in NS cores. Using the gravity-matter duality in theories describing NSs, we investigate the impact of gravity on supradense matter EOS in NSs. In particular, we show that the NS mass M NS , radius R, and compactness ξ ≡ M NS /R scale with certain combinations of its central pressure and energy density (encapsulating its central EOS). Thus, observational data on these properties of NSs can straightforwardly constrain NS central EOSs without relying on any specific nuclear EOS model.

73 NUCLEAR PHYSICS AND RADIATION PHYSICS↗

DOE OSTI2025

RhizoGrid Indexed Sorghum Rhizosphere Multi-Omics

PerCon SFA project data dentification of spatially resolved biomarkers of drought in Sorghum bicolor rhizosphere molecular-microbe interactions using a novel root cartography "RhizoGrid" system for sampling plants under drought and control conditions across 10 equally sized root zone environments (4 quadrants each). Each quadrant was sampled and processed for 16S amplicon, metabolomics, and X-ray computed tomography (XCT). Data download includes experimental metadata and results files for 16S rRNA sequence analysis of microbial community assembly (processed data files), liquid chromatography mass spectrometry (LC-MS) metabolomics analysis of microbial community root exudates (processed data files), X-ray computed tomography (XCT) spatial gradient analysis (raw and processed data files) of microbial community composition, and related computational modeling outputs.

59 BASIC BIOLOGICAL SCIENCES↗

NASA NTRS2014

Are Medications Involved in Vision and Intracrancial Pressure Changes Seen in Spaceflight?

The Food and Drug Association Adverse Event Reports (FDA AER) from 2009-2011 were used to create a database from millions of known and suspected medication-related adverse events among the general public. Vision changes, sometimes associated with intracranial pressure changes (VIIP), have been noted in some long duration crewmembers. Changes in vision and blood pressure (which can subsequently affect intracranial pressure) are fairly common side effects of medications. The purpose of this study was to explore the possibility of medication involvement in crew VIIP symptoms. Reports of suspected medication-related adverse events may be filed with the Food and Drug Administration (FDA) by medical professionals or consumers. Quarterly compilations of these reports are available for public download. Adverse Event Reporting System (AERS) reports from 1/1/2009- 6/30/2012 were downloaded and compiled into a searchable database for this study. Reports involving individuals under the age of 18 and older than 65 were excluded from this analysis. Case reports involving chronic diseases such as cancer, diabetes, multiple sclerosis and other serious conditions were also excluded. A scan of the medical literature for medication-related VIIP-like adverse events was used to create a list of suspect medications. These medications, as well as certain medications used frequently by ISS crew, were used to query the database. Queries for use of suspected medications were run, and the nature of the symptoms reported in those cases were tabulated. Symptoms searched in the FDA AERS were chosen to include the typical symptoms noted in crewmembers with VIIP. Vision symptoms searched were: visual acuity reduced, visual impairment, and vitreous floaters. Pressure changes included: abnormal sensation in eye, intracranial pressure increased, intraocular pressure increased, optic neuritis, optic neuropathy, and papilloedema. Limited demographic information is included with the FDA AERS; relevant data were also sorted by age and sex from each report. RESULTS Steroid-containing oral contraceptives had the highest number of reports associated with vision (n=166) and pressure symptoms (n=54). Corticosteroid-containing medications were also high; prednisone, for example, had 137 reports of vision issues and 79 of pressure issues. Pain relievers were also a medication class with vision and pressure-related adverse events reported. Common over-the-counter medications such as acetaminophen, aspirin and ibuprofen each had multiple reports for both vision and pressure symptoms. Antimicrobial medications ciprofloxacin and diflucan were also associated with a number of vision and pressure-related AERS. Unexpectedly, pseudoephedrine and promethazine were mentioned in fewer than 20 reports each over the 3.5 years of data examined. The FDA AERS represents a wealth of data, but there are several limitations to its use. The data are entered by the public or medical professionals, but are not checked for accuracy or completeness and may even be entered multiple times. The causal relationship between a particular adverse event and a particular medication is not tested. The cases represent a broad spectrum of demographics, occupations, and health histories, and thus do not model the astronaut population well. There is no information on the frequency of use of a medication for comparison purposes; it is not possible to assign a rate for any particular adverse event. Nonetheless, there are compelling trends. Use of corticosteroid-containing medications, pain relievers (even over-the-counter), and oral contraceptives were associated with higher numbers of vision- or intracranial pressure-related adverse events. In general, there were more vision problems than pressure problems reported. Certain medications that were once suspected of playing a role in the crew VIIP syndrome, namely pseudoephedrine and promethazine, were found to have extremely low numbers of VIIP-like AERS in the FDA data. However, crew use of corticosteroid-containing medications and pain relievers may warrant additional investigation

Faust, K. M.↗

NASA NTRS2014

Focal Gray Matter Plasticity as a Function of Long Duration Head Down Tilted Bed Rest: Preliminary Results

Long duration spaceflight (i.e., 22 days or longer) has been associated with changes in sensorimotor systems, resulting in difficulties that astronauts experience with posture control, locomotion, and manual control. The microgravity environment is an important causal factor for spaceflight induced sensorimotor changes. Whether these sensorimotor changes are solely related to peripheral changes from reduced vestibular stimulation, body unloading, body fluid shifts or that they may be related to structural and functional brain changes is yet unknown. However, a recent study reported associations between microgravity and flattening of the posterior eye globe and protrusion of the optic nerve [1] possibly as the result of increased intracranial pressure due to microgravity induced bodily fluid shifts [3]. Moreover, elevated intracranial pressure has been related to white matter microstructural damage [2]. Thus, it is possible that spaceflight may affect brain structure and thereby cognitive functioning. Long duration head down tilt bed rest has been suggested as an exclusionary analog to study microgravity effects on the sensorimotor system [4]. Bed rest mimics microgravity in body unloading and bodily fluid shifts. In consideration of the health and performance of crewmembers both in- and post-flight, we are conducting a prospective longitudinal 70-day bed rest study as an analog to investigate the effects of microgravity on brain structure [5]. Here we present results of the first six subjects. Six subjects were assessed at 12 and 7 days before-, at 7, 30, and ~70 days in-, and at 8 and 12 days post 70 days of bed rest at the NASA bed rest facility in UTMB, Galveston, TX, USA. At each time point structural MRI scans (i.e., high resolution T1-weighted imaging and Diffusion Tensor Imaging (DTI)) were obtained using a 3T Siemens scanner. Focal changes over time in gray matter density were assessed using the voxel based morphometry 8 (VBM8) toolbox under SPM. Longitudinal processing in VBM8 includes linear registration of each scan to the mean of the subject and subsequently transforming all scans in to MNI space by applying the warp from the mean subject to MNI to the individual gray matter segmentations. Modulation was applied so that all images represented the volume of the original structure in native space. Voxel wise analysis was carried out on the gray matter images after smoothing, using a flexible factorial design with family wise error correction. Focal changes in white matter microstructural integrity were assessed using tract based spatial statistics (TBSS) as part of FMRIB software library (FSL). TBSS registers all DTI scans to standard space. It subsequently creates a study specific white matter skeleton of the major white matter tracts. For each subject, for each DTI metric (i.e. fractional anisotropy (FA), mean diffusivity (MD), axial diffusivity (AD), and radial diffusivity (RD)), the maximum value in a line perpendicular to the skeleton tract is projected to the skeleton. Non-parametric permutation based t-tests and ANOVA's were used for voxel-wise comparison of the skeletons. For both VBM and TBSS, comparison of pre bed rest measurements did not show significant differences. VBM analysis revealed decreased gray matter density in bilateral areas including the frontal medial cortex, the insular cortex and the caudate (see Figure) from 'pre to in bed rest'. Over the same time period, there was an increase in gray matter density in the cerebellum, occipital-, and parietal cortex, including the precuneus (see Figure). The majority of these changes did not recover from 'during to post bed rest'. TBSS analysis did not reveal significant changes in white matter microstructural integrity after correction for multiple comparisons. Uncorrected analyses (p<.015) revealed an increase in RD in the cerebellum and brainstem from pre bed rest to the first week in bed rest that did not recover post bed rest. Extended bed rest, which is an analog for microgravity, can result in gray matter changes and potentially in microstructural white matter changes in areas that are important for neuro motor behavior and cognition. These changes did not recover at two weeks post bed rest. Whether the effects of bed rest wear off at longer times post bed rest, and if they are associated with behavior are important questions that warrant further research.

Koppelmans, V.↗

DOE OSTI2021

Artificial Intelligence for Autonomous Molecular Design: A Perspective

Domain-aware artificial intelligence has been increasingly adopted in recent years to expedite molecular design in various applications, including drug design and discovery. Recent advances in areas such as physics-informed machine learning and reasoning, software engineering, high-end hardware development, and computing infrastructures are providing opportunities to build scalable and explainable AI molecular discovery systems. This could improve a design hypothesis through feedback analysis, data integration that can provide a basis for the introduction of end-to-end automation for compound discovery and optimization, and enable more intelligent searches of chemical space. Several state-of-the-art ML architectures are predominantly and independently used for predicting the properties of small molecules, their high throughput synthesis, and screening, iteratively identifying and optimizing lead therapeutic candidates. However, such deep learning and ML approaches also raise considerable conceptual, technical, scalability, and end-to-end error quantification challenges, as well as skepticism about the current AI hype to build automated tools. To this end, synergistically and intelligently using these individual components along with robust quantum physics-based molecular representation and data generation tools in a closed-loop holds enormous promise for accelerated therapeutic design to critically analyze the opportunities and challenges for their more widespread application. This article aims to identify the most recent technology and breakthrough achieved by each of the components and discusses how such autonomous AI and ML workflows can be integrated to radically accelerate the protein target or disease model-based probe design that can be iteratively validated experimentally. Taken together, this could significantly reduce the timeline for end-to-end therapeutic discovery and optimization upon the arrival of any novel zoonotic transmission event. Our article serves as a guide for medicinal, computational chemistry and biology, analytical chemistry, and the ML community to practice autonomous molecular design in precision medicine and drug discovery.

59 BASIC BIOLOGICAL SCIENCES↗