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At least 397 records · Page 22
All sourcesNASA NTRSDOE OSTI
DOE OSTI2021

Enzyme Complexes of Ptr4CL and PtrHCT Modulate Co-enzyme A Ligation of Hydroxycinnamic Acids for Monolignol Biosynthesis in Populus trichocarpa

Co-enzyme A (CoA) ligation of hydroxycinnamic acids by 4-coumaric acid:CoA ligase (4CL) is a critical step in the biosynthesis of monolignols. Perturbation of 4CL activity significantly impacts the lignin content of diverse plant species. In Populus trichocarpa, two well-studied xylem-specific Ptr4CLs (Ptr4CL3 and Ptr4CL5) catalyze the CoA ligation of 4-coumaric acid to 4-coumaroyl-CoA and caffeic acid to caffeoyl-CoA. Subsequently, two 4-hydroxycinnamoyl-CoA:shikimic acid hydroxycinnamoyl transferases (PtrHCT1 and PtrHCT6) mediate the conversion of 4-coumaroyl-CoA to caffeoyl-CoA. Here, we show that the CoA ligation of 4-coumaric and caffeic acids is modulated by Ptr4CL/PtrHCT protein complexes. Downregulation of PtrHCTs reduced Ptr4CL activities in the stem-differentiating xylem (SDX) of transgenic P. trichocarpa. The Ptr4CL/PtrHCT interactions were then validated in vivo using biomolecular fluorescence complementation (BiFC) and protein pull-down assays in P. trichocarpa SDX extracts. Enzyme activity assays using recombinant proteins of Ptr4CL and PtrHCT showed elevated CoA ligation activity for Ptr4CL when supplemented with PtrHCT. Numerical analyses based on an evolutionary computation of the CoA ligation activity estimated the stoichiometry of the protein complex to consist of one Ptr4CL and two PtrHCTs, which was experimentally confirmed by chemical cross-linking using SDX plant protein extracts and recombinant proteins. Based on these results, we propose that Ptr4CL/PtrHCT complexes modulate the metabolic flux of CoA ligation for monolignol biosynthesis during wood formation in P. trichocarpa.

59 BASIC BIOLOGICAL SCIENCES↗
NASA NTRS2013

Educational NASA Computational and Scientific Studies (enCOMPASS)

Educational NASA Computational and Scientific Studies (enCOMPASS) is an educational project of NASA Goddard Space Flight Center aimed at bridging the gap between computational objectives and needs of NASA's scientific research, missions, and projects, and academia's latest advances in applied mathematics and computer science. enCOMPASS achieves this goal via bidirectional collaboration and communication between NASA and academia. Using developed NASA Computational Case Studies in university computer science/engineering and applied mathematics classes is a way of addressing NASA's goals of contributing to the Science, Technology, Education, and Math (STEM) National Objective. The enCOMPASS Web site at http://encompass.gsfc.nasa.gov provides additional information. There are currently nine enCOMPASS case studies developed in areas of earth sciences, planetary sciences, and astrophysics. Some of these case studies have been published in AIP and IEEE's Computing in Science and Engineering magazines. A few university professors have used enCOMPASS case studies in their computational classes and contributed their findings to NASA scientists. In these case studies, after introducing the science area, the specific problem, and related NASA missions, students are first asked to solve a known problem using NASA data and past approaches used and often published in a scientific/research paper. Then, after learning about the NASA application and related computational tools and approaches for solving the proposed problem, students are given a harder problem as a challenge for them to research and develop solutions for. This project provides a model for NASA scientists and engineers on one side, and university students, faculty, and researchers in computer science and applied mathematics on the other side, to learn from each other's areas of work, computational needs and solutions, and the latest advances in research and development. This innovation takes NASA science and engineering applications to computer science and applied mathematics university classes, and makes NASA objectives part of the university curricula. There is great potential for growth and return on investment of this program to the point where every major university in the U.S. would use at least one of these case studies in one of their computational courses, and where every NASA scientist and engineer facing a computational challenge (without having resources or expertise to solve it) would use enCOMPASS to formulate the problem as a case study, provide it to a university, and get back their solutions and ideas.

Memarsadeghi, Nargess↗
DOE OSTI2023

Electrochemical Residence Time Distribution as a Diagnostic Tool for Redox Flow Batteries

The fluid dynamic and electrochemical performance of redox flow batteries (RFBs) stems from the relationship between the flow field and the porous electrode, whose interplay determines how active species move and react during device operation. While characterization techniques, such as residence time distribution, offer insights into species mobility within a reactive volume for a traditional chemical reactor, electrochemical reactors also enable simultaneous measurement of the redox reactions, unlocking another dimension of analysis. Herein, we demonstrate how potentiodynamic measurements, using injections of electrolyte examined through moment analysis, can provide electrode-specific performance scaling relationships across a matrix of carbon paper and cloth electrodes with flow through and interdigitated flow fields. We further combine experimental campaigns with multiphysics simulations to demonstrate how electrode surface area can be estimated with this technique, which we then validate with activated and unactivated commercial carbon cloth electrodes. These studies reveal the multiscale observations that potentiodynamic measurements afford, augmenting existing electrochemical techniques for holistic electrochemical reactor diagnostics.

Electrochemistry↗
DOE OSTI2026

Stream Chemistry, Synoptic Surveys, East Fork Poplar Creek Watershed, TN, USA; April 2023 to February 2025

Impacts of developed land cover on stream chemistry can be difficult to discern from natural variability, particularly in carbonate watersheds where weathering of urban infrastructure and lithology generate similar signatures. We evaluated how spatial patterns of stream chemistry varied across perennial and non-perennial tributaries spanning an urban-to-forested gradient in a mid-order, carbonate-dominated watershed. This data package contains a processed and compiled summary of stream chemistry and properties obtained from 12 synoptic surveys of 54 stream sites across the East Fork Poplar Creek watershed located near Oak Ridge, TN, United States. The sites include non-perennial tributaries, perennial tributaries, and the main stem and span forested to urban (highly developed) land cover gradients. The data package includes the processed and flagged chemical data (WaDE_SynopticSummary_FinalChemistry), metadata describing data flagging and analysis (WaDE_SynopticSummary_Metadata), information about each site and its contributing subcatchment (WaDE_SynopticSummary_SiteInformation), and a comparison of instrument and field detection limits used to determine method detection limits for the study (WaDE_SynopticSummary_DetectionLimitComparison). Stream chemistry includes stream parameters measured in situ using multiparameter probes (dissolved oxygen, pH, specific conductance, temperature) and solutes including nutrients (nitrate, ammonium, soluble reactive phosphorus), dissolved organic carbon, dissolved inorganic carbon, major cations (calcium, magnesium, potassium, sodium), major anions (chloride, sulfate), and a broad suite of minor and trace elements.

EARTH SCIENCE > TERRESTRIAL HYDROSPHERE > SURFACE ↗
NASA NTRS1997

Lignin Formation and the Effects of Gravity: A New Approach

Two aspects of considerable importance in the enigmatic processes associated with lignification have made excellent progress. The first is that, even in a microgravity environment, compression wood formation, and hence altered lignin deposition, can be induced upon mechanically bending the stems of woody gymnosperms. It now needs to be established if an organism reorientating its woody stem tissue will generate this tissue in microgravity, in the absence of externally applied pressure. If it does not, then gravity has no effect on its formation, and instead it results from alterations in the stress gradient experienced by the organism impacted. The second area of progress involves establishing how the biochemical pathway to lignin is regulated, particularly with respect to selective monolignol biosynthesis. This is an important question since individual monomer deposition occurs in a temporally and spatially specific manner. In this regard, the elusive metabolic switch between E-p-coumaryl alcohol and E-coniferyl alcohol synthesis has been detected, the significance of which now needs to be defined at the enzyme and gene level. Switching between monolignol synthesis is important, since it is viewed to be a consequence of different perceptions by plants in the gravitational load experienced, and thus in the control of the type of lignification response. Additional experiments also revealed the rate-limiting processes involved in monolignol synthesis, and suggest that a biological system (involving metabolite concentrations, as well as enzymatic and gene (in)activation processes) is involved, rather than a single rate-limiting step.

Lewis, Norman G.↗
DOE OSTI2026

NGEE Arctic Integrated Modeling (IM3): Improved snow-vegetation interaction

This data product represents the integration of new code capability for arctic tundra snow-vegetation-terrain interactions into the Energy Exascale Earth System Model (E3SM), through the E3SM Land Model (ELM) component. This code integration is the result of collaborative effort between the NGEE Arctic project and the E3SM project. The NGEE Arctic project developed a total of six Integrated Modeling (IM) modules informed by observations and experiments. New ELM capability represented by this data product (IM3) falls into three categories: 1) Downscaling from gridcell to topographic unit level when working through the existing coupler bypass code. 2) Four new parameters (taper, stocking, bendresist, and vegshape) have been added to ELM to allow for flexible definition of snow-vegetation interactions. 3) Vegshape and bendresist parameters are used to calculate the fraction of leaf area and/or stem area buried by snow for a given snow depth. This data record consists of a single document (pdf format) that describes the theoretical basis for the snow-vegetation-terrain interactions added to ELM, and describes the modifications made to the ELM code. The Methods section of this metadata record includes a link to the public E3SM code repository where the exact code modifications as integrated in E3SM can be accessed. The Next-Generation Ecosystem Experiments: Arctic (NGEE Arctic), was a research effort to reduce uncertainty in Earth System Models by developing a predictive understanding of carbon-rich Arctic ecosystems and feedbacks to climate. NGEE Arctic was supported by the Department of Energy's Office of Biological and Environmental Research. The NGEE Arctic project had two field research sites: 1) located within the Arctic polygonal tundra coastal region on the Barrow Environmental Observatory (BEO) and the North Slope near Utqiagvik (Barrow), Alaska and 2) multiple areas on the discontinuous permafrost region of the Seward Peninsula north of Nome, Alaska. Through observations, experiments, and synthesis with existing datasets, NGEE Arctic provided an enhanced knowledge base for multi-scale modeling and contributed to improved process representation at global pan-Arctic scales within the Department of Energy's Earth system Model (the Energy Exascale Earth System Model, or E3SM), and specifically within the E3SM Land Model component (ELM).

Thornton, Peter E [ORNL] (ORCID:0000000247595158)↗
DOE OSTI2022

Eucalyptus grandis $\mathrm{AUX/INDOLE}$-3-$\mathrm{ACETIC}$ $\mathrm{ACID}$ 13 (EgrIAA13) is a novel transcriptional regulator of xylogenesis

Auxin is a crucial phytohormone regulating multiple aspects of plant growth and differentiation, including regulation of vascular cambium activity, xylogenesis and its responsiveness towards gravitropic stress. Although the regulation of these biological processes greatly depends on auxin and regulators of the auxin signalling pathway, many of their specific functions remain unclear. Therefore, the present study aims to functionally characterise Eucalyptus grandis AUX/INDOLE-3-ACETIC ACID 13 (EgrIAA13), a member of the auxin signalling pathway. In Eucalyptus and Populus, EgrIAA13 and its orthologs are preferentially expressed in the xylogenic tissues and downregulated in tension wood. Therefore, to further investigate EgrIAA13 and its function during xylogenesis, we conducted subcellular localisation and Induced Somatic Sector Analysis experiments using overexpression and RNAi knockdown constructs of EgrIAA13 to create transgenic tissue sectors on growing stems of Eucalyptus and Populus. Since Aux/IAAs interact with Auxin Responsive Factors (ARFs), in silico predictions of IAA13-ARF interactions were explored and experimentally validated via yeast-2-hybrid experiments. Our results demonstrate that EgrIAA13 localises to the nucleus and that downregulation of EgrIAA13 impedes Eucalyptus xylem fibre and vessel development. We also observed that EgrIAA13 interacts with Eucalyptus ARF2, ARF5, ARF6 and ARF19A. Based on these results, we conclude that EgrIAA13 is a regulator of Eucalyptus xylogenesis and postulate that the observed phenotypes are likely to result from alterations in the auxin-responsive transcriptome via IAA13-ARF modules such as EgrIAA13-EgrARF5. Our results provide the first insights into the regulatory role of EgrIAA13 during xylogenesis.

59 BASIC BIOLOGICAL SCIENCES↗
NASA NTRS1999

Stochastic Modeling of Airlines' Scheduled Services Revenue

Airlines' revenue generated from scheduled services account for the major share in the total revenue. As such, predicting airlines' total scheduled services revenue is of great importance both to the governments (in case of national airlines) and private airlines. This importance stems from the need to formulate future airline strategic management policies, determine government subsidy levels, and formulate governmental air transportation policies. The prediction of the airlines' total scheduled services revenue is dealt with in this paper. Four key components of airline's scheduled services are considered. These include revenues generated from passenger, cargo, mail, and excess baggage. By addressing the revenue generated from each schedule service separately, air transportation planners and designers are able to enhance their ability to formulate specific strategies for each component. Estimation results clearly indicate that the four stochastic processes (scheduled services components) are represented by different Box-Jenkins ARIMA models. The results demonstrate the appropriateness of the developed models and their ability to provide air transportation planners with future information vital to the planning and design processes.

Hamed, M. M.↗
NASA NTRS1999

Stochastic Modeling of Airlines' Scheduled Services Revenue

Airlines' revenue generated from scheduled services account for the major share in the total revenue. As such, predicting airlines' total scheduled services revenue is of great importance both to the governments (in case of national airlines) and private airlines. This importance stems from the need to formulate future airline strategic management policies, determine government subsidy levels, and formulate governmental air transportation policies. The prediction of the airlines' total scheduled services revenue is dealt with in this paper. Four key components of airline's scheduled services are considered. These include revenues generated from passenger, cargo, mail, and excess baggage. By addressing the revenue generated from each schedule service separately, air transportation planners and designers arc able to enhance their ability to formulate specific strategies for each component. Estimation results clearly indicate that the four stochastic processes (scheduled services components) are represented by different Box-Jenkins ARIMA models. The results demonstrate the appropriateness of the developed models and their ability to provide air transportation planners with future information vital to the planning and design processes.

Hamed, M. M.↗
DOE OSTI2020

An outbreak of Septoria canker caused by Sphaerulina musiva on Populus trichocarpa in eastern Oregon

Branch and stem cankers were observed in a Populus trichocarpa L. plantation in late summer of 2018 near Boardman, Oregon USA. Stem cankers were flat faced with swollen margins and the bark in the center of the cankers was black and depressed (Figure 1). 254 out of 1054 trees (25%) observed had cankers. Symptomatic stems and branches from several trees were brought to Oregon State University for identification. Cankers were surface-disinfested in a 5% NaOCl for 2 min and rinsed twice in deionized H 2 O for 2 min. Bark was removed from cankers and pieces of wood at the margin between healthy and necrotic tissue were plated on KV8 medium amended with streptomycin sulfate at 100 mg liter–1 and chloramphenicol (Amresco) at 240 mg liter–1 (Dunnell and LeBoldus 2017). Eight sporulating colonies typical of Sphaerulina musiva (Peck) Quaedvlieg, Verkley, and Crous (Syn. = Septoria musiva Peck) developed within 7 days of plating. S. musiva was identified by morphological characteristics (conidium size = 28–54 × 3.5–4 µm) and confirmed by comparing the sequence of the ITS region (accession numbers: MN275180-MN275187) to JX901814 with 99% identity. We tested 13 additional cankers collected from the plantation using S. musiva specific primers (Abraham et al. 2018). Eight of the 13 samples were positive for S. musiva DNA. Dormant cuttings from three genotypes of P. trichocarpa (BESC-184; BESC-259; BESC-388) were collected in a field planting near Oregon State University (OSU). These were planted in cone-tainers in the greenhouse at OSU and grown to approximately 30 cm in height. Four replicates of each of the three genotypes were inoculated in the greenhouse with one Oregon isolate using a suspension of 1x10 6 conidia ml-1. The entire tree was sprayed until runoff using a spray bottle (LeBoldus et al. 2010). The experimental design was a completely randomized design with four replicates of each genotype. Sterile deionized H 2 O was sprayed on one control tree of each genotype. The mean number of resulting cankers were BESC-184 = 11, BESC-259 = 1, and BESC-388 = 13.75. The controls did not develop any cankers. The pathogen was successfully reisolated from one canker from each genotype. Sphaerulina musiva can cause severely damaging leaf spot and stem canker diseases in the eastern and central USA and Canada (Bier 1939; Herath et al. 2016). Susceptible Populus species and hybrids develop cankers which can girdle and weaken stems, leading to breakage or tree death (Bier 1939). A previous survey of the region did not detect S. musiva (Newcombe et al. 1995). This outbreak of Septoria canker underscores the potential threat of this pathogen to P. trichocarpa in the Pacific Northwest where it is a keystone species in riparian ecosystems.

59 BASIC BIOLOGICAL SCIENCES↗
DOE OSTI2024

Impact of Higher Fidelity Design Iterations on Critical System Criteria

Nuclear criticality experiments are effective at informing the performance of nuclear data libraries across many applications. This work explores the implications of refining critical experiment MCNP models from their low fidelity optimization phase to penultimate neutronic models. Specifically, this work is focused on two series of plutonium fueled experiments funded through internal programs at Los Alamos National Laboratory building off previous efforts under the EUCLID (Experiments Underpinned by Computational Learning for Improvements in Nuclear Data) collaboration. Thales, the first of the two collaborations, is a fast spectrum Ta-reflected plutonium experiment to support operations at PF-4. The second experiment are twin configurations designed to target the intermediate energy cross sections in 239 Pu. Motivation for this experiment stems from the PARallel Approach of Differential and InteGral Measurements (PARADIGM) collaboration which hopes to achieve a significant reduction in 239 Pu cross section uncertainties in the intermediate region.

97 MATHEMATICS AND COMPUTING↗
DOE OSTI2021

Co-precipitation induces changes to iron and carbon chemistry and spatial distribution at the nanometer scale

Association of organic matter (OM) with mineral phases via co-precipitation is expected to be a widespread process in environments with high OM input and frequent mineral dissolution and re-precipitation. In contrast to surface area-limited adsorption processes, co-precipitation may allow for greater carbon (C) accumulation. However, the potential sub-micrometer scale structural and compositional differences that affect the bioavailability of co-precipitated C are largely unknown. In this work, we used a combination of high-resolution analytical electron microscopy and bulk spectroscopy to probe interactions between a mineral phase (ferrihydrite, nominally Fe 2 O 3 •0.5H 2 O) and organic soil-derived water-extractable OM (WEOM). In co-precipitated WEOM-Fe, nanometer-scale scanning transmission electron microscopy with electron energy loss spectroscopy (STEM-EELS) revealed increased Fe(II) and less Fe aggregation relative to adsorbed WEOM-Fe. Spatially distinct lower- and higher-energy C regions were detected in both adsorbed and co-precipitated WEOM-Fe. In co-precipitates, lower-energy aromatic and/or substituted aromatic C was spatially associated with reduced Fe(II), but higher-energy oxidized C was enriched at the oxidized Fe(III) interface. Therefore, we show that co-precipitation does not constitute a non-specific physical encapsulation of C that only affects Fe chemistry and spatial distribution, but may cause a bi-directional set of reactions that lead to spatial separation and transformation of both Fe and C forms. In particular, we propose that abiotic redox reactions between Fe and C via substituted aromatic groups (e.g., hydroquinones) play a role in creating distinct co-precipitate composition, with potential implications for its mineralization.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗
DOE OSTI2020

Mechanisms of QT prolongation by buprenorphine cannot be explained by direct hERG channel block

Buprenorphine is a μ-opioid receptor (MOR) partial agonist used to manage pain and addiction. QT C prolongation that crosses the 10 msec threshold of regulatory concern was observed at a supratherapeutic dose in two thorough QT studies for the transdermal buprenorphine product BUTRANS®. Because QT C prolongation can be associated with Torsades de Pointes (TdP), a rare but potentially fatal ventricular arrhythmia, these results have led to further investigation of the electrophysiological effects of buprenorphine. Drug-induced QT C prolongation and TdP are most commonly caused by acute inhibition of hERG current (I hERG ) that contribute to the repolarizing phase of the ventricular action potentials (APs). Concomitant inhibition of inward late Na + (I NaL ) and/or L-type Ca 2+ (I CaL ) current can offer some protection against proarrhythmia. Therefore, we characterized the effects of buprenorphine and its major metabolite norbuprenorphine on cardiac hERG, Ca 2+ , and Na + ion channels, as well as cardiac APs. For comparison, methadone, a MOR agonist associated with QT C prolongation and high TdP risk, and naltrexone and naloxone, two opioid receptor antagonists, were also studied. Whole cell recordings were performed at 37°C on cells stably expressing hERG, Ca V 1.2, and Na V 1.5 proteins. Microelectrode array (MEA) recordings were made on human induced pluripotent stem cell-derived cardiomyocytes (iPSC-CMs). The results showed that buprenorphine, norbuprenorphine, naltrexone, and naloxone had no effect on I hERG , I CaL , I NaL , and peak Na + current (I NaP ) at clinically relevant concentrations. In contrast, methadone inhibited I hERG , I CaL , and I NaL . Experiments on iPSC-CMs showed a lack of effect for buprenorphine, norbuprenorphine, naltrexone, and naloxone, and delayed repolarization for methadone at clinically relevant concentrations. The mechanism of QT C prolongation is opioid moiety-specific. This remains undefined for buprenorphine, while for methadone it involves direct hERG channel block. There is no evidence that buprenorphine use is associated with TdP. Whether this lack of TdP risk can be generalized to other drugs with QT C prolongation not mediated by acute hERG channel block warrants further study.

59 BASIC BIOLOGICAL SCIENCES↗
NASA NTRS2021

Expanding the application of soil moisture monitoring systems through regression-based transformation

Relative to other geophysical variables, soil moisture (SM) estimates derived from land surface models (LSMs) and land data assimilation systems (LDAS) are difficult to transfer between platforms and applications. This difficulty stems from the highly model-dependent nature of LSM SM estimates and differences in the vertical support of discretized SM values. As a result, operational SM estimates generated by one LSM (or LDAS) cannot generally be directly applied to a hydrologic monitoring or forecast system designed around a second LSM. This lack of transferability is particularly problematic for LDAS applications, where the time, expertise, and computational resources required to generate an operational LDAS analysis cannot be practically duplicated for every LSM-specific application. Here, we develop a set of simple regression tools for translating SM estimates between LSMs and multiple LDAS analyses. Results demonstrate that simple multivariate linear regression - utilizing independent variables based on multi-layer and temporally lagged SM estimates - can significantly improve upon baseline transformation approaches using direct percentile matching. The proposed regression approaches are effective for both the LSM-to-LSM and LDAS-to-LDAS transformation of multi-layer SM percentiles. Application of this approach will expand the utility of existing, high-quality (but LSM-specific) operational sources of SM information like the NASA Soil Moisture Active Passive Level-4 Soil Moisture product.

Soil Moisture↗
DOE OSTI2026

Impact of europium and samarium on growth and metabolism of two anaerobic wastewater microorganisms: Sporacetigenium mesophilum and Clostridium sporogenes

Increases in environmental fluxes of rare earth elements (REEs) stemming from increased demand for these technology critical elements may affect microbial ecosystem functions important for pollutant degradation and nutrient cycling. Here, this study investigates the responses of Sporacetigenium mesophilum and Clostridium sporogenes, two anaerobic fermenters, to varying concentrations of two REE, namely europium and samarium. Eu and Sm are adjacent lanthanides but differ significantly in their redox behavior. We tested Eu and Sm concentrations ranging from < 1 to 600 µM. Despite the close phylogenetic relatedness of the two bacteria, we observed species-specific as well as REE-specific and incubation time-dependent sensitivities. S. mesophilum exhibited pronounced inhibition of hydrogen production and growth with exposure to ≥ 60 µM of Eu, but with 6 µM Eu, a hormetic effect was observed—hydrogen production was enhanced relative to the control. With Sm, the only impact observed on S. mesophilum was inhibition at the highest concentration (600 µM) tested. For C. sporogenes, growth inhibition was observed only at 600 µM Eu or Sm, and no hormesis was observed with either REE. This study offers both significant benefits and novelty by addressing the emerging environmental concern of REE pollution, particularly the effects of Eu and Sm on anaerobic microorganisms relevant to wastewater treatment. It provides valuable insights into REE impacts under anaerobic conditions, which are essential for understanding potential disruptions to organic matter degradation and nutrient cycling processes.

60 - APPLIED LIFE SCIENCES↗
DOE OSTI2019

Uncovering electron-phonon scattering and phonon dynamics in type-I Weyl semimetals

Studies of topological semimetals have revealed spectacular transport phenomena spanning extreme magnetoresistance effects and ultrahigh mobilities. As phonon dynamics and electron-phonon scattering play a critical role in the electrical and thermal transport, in this work we pursue a fundamental understanding of these effects in type-I Weyl semimetals NbAs and TaAs. In the temperature-dependent Raman spectra of NbAs we reveal a previously unreported Fano line shape, a signature stemming from the electron-phonon interaction. Additionally, the temperature dependence of the A 1 phonon linewidths in both NbAs and TaAs strongly deviate from the standard model of anharmonic decay. To capture the mechanisms responsible for the observed Fano asymmetry and the atypical phonon linewidth, we present first-principles calculations of the phonon self-energy correction due to the electron-phonon interaction. Through this study of the phonon dynamics and electron-phonon interaction in these Weyl semimetals, we consider specific microscopic pathways which could contribute to the nature of their macroscopic transport.

75 CONDENSED MATTER PHYSICS, SUPERCONDUCTIVITY AND↗
NASA NTRS1998

Extracellular calcium (Ca2+(o))-sensing receptor in a murine bone marrow-derived stromal cell line (ST2): potential mediator of the actions of Ca2+(o) on the function of ST2 cells

The calcium-sensing receptor (CaR) is a G protein-coupled receptor that plays key roles in extracellular calcium ion (Ca2+(o)) homeostasis by mediating the actions of Ca2+(o) on parathyroid gland and kidney. Bone marrow stromal cells support the formation of osteoclasts from their progenitors as well as the growth of hematopoietic stem cells by secreting humoral factors and through cell to cell contact. Stromal cells also have the capacity to differentiate into bone-forming osteoblasts. Bone resorption by osteoclasts probably produces substantial local increases in Ca2+(o) that could provide a signal for stromal cells in the immediate vicinity, leading us to determine whether such stromal cells express the CaR. In this study, we used the murine bone marrow-derived, stromal cell line, ST2. Both immunocytochemistry and Western blot analysis, using an antiserum specific for the CaR, detected CaR protein in ST2 cells. We also identified CaR transcripts in ST2 cells by Northern analysis using a CaR-specific probe and by RT-PCR with CaR-specific primers, followed by nucleotide sequencing of the amplified products. Exposure of ST2 cells to high Ca2+(o) (4.8 mM) or to the polycationic CaR agonists, neomycin (300 microM) or gadolinium (100 microM), stimulated both chemotaxis and DNA synthesis in ST2 cells. Therefore, taken together, our data strongly suggest that the bone marrow-derived stromal cell line, ST2, possesses both CaR protein and messenger RNA that are very similar if not identical to those in parathyroid and kidney. Furthermore, as ST2 cells have the potential to differentiate into osteoblasts, the CaR in stromal cells could participate in bone turnover by stimulating the proliferation and migration of such cells to sites of bone resorption as a result of local, osteoclast-mediated release of Ca2+(o) and, thereafter, initiating bone formation after their differentiation into osteoblasts.

NASA Discipline Musculoskeletal↗
DOE OSTI2024

Interpreting the spatial distribution of soil properties with a physically-based distributed hydrological model

Digital soil maps are commonly data-driven as the development of physically-based models for soil mapping is difficult due to the complexity of soils. However, physically-based hydrologic models have been successful in simulating water dynamics. Since water movement is a major driver of pedogenesis, the physical rules that govern water movement might help explain and predict the spatial variation of soil properties. Here, we demonstrate the novel use of a physically-based, distributed hydrologic model to inform the spatial distribution of soil properties. The Distributed Hydrology Soil Vegetation Model (DHSVM) was utilized to simulate soil moisture content (SM) and water table depth (WTD) in two hillslope catchments under pasture and forest management wherein hydrologic model outputs were then compared with soil properties measured in situ. SM sensors and wells were installed in both catchments to validate simulations of soil water movement via Nash-Sutcliffe Efficiency (E). In-situ observations were made at 87 sites within both catchments to study the connection between simulated water movement (SM and WTD) and observed soil properties, namely the depth and thickness of the argillic (Bt), fragic (Btx), and C horizons, and the depth of redoximorphic features. The simulated time series of SM and WTD were also clustered per season using Dynamic Time Warping (DTW), which identified similarity among time series at varying timescales. Model validation suggested that simulations of surficial SM (0–20 cm) were reasonable (E = 0.45), however, simulated subsurface SM (45–60 cm) and WTD were not sufficiently accurate. The thickness of Btx horizons were spatially grouped into different populations by SM clusters from every season except spring. For the other properties, only SM dynamics of specific seasons grouped into significantly different populations, suggesting that the explanatory power of simulated water movement varies seasonally and was greater during winter. Here, we show clusters of simulated SM separated soil properties into statistically different populations, showing that hydrologic models could inform areas that followed different water dynamics related to pedogenic trajectories and related biogeochemical processes not necessarily simulated by the model. As such, physically-based modeling of water dynamics can, therefore, inform and advance digital soil mapping by linking water movement patterns stemming from hydrologic model outputs to spatial patterns of soil properties and pedogenesis.

54 ENVIRONMENTAL SCIENCES↗