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Search indexed NASA NTRS and DOE OSTI research on propulsion, heat transfer, battery materials and energy systems. Follow report and document links to the original sources.

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At least 433 records · Page 24
All sourcesNASA NTRSDOE OSTI
DOE OSTI2018

Brg1 promotes liver fibrosis via activation of hepatic stellate cells

Liver fibrosis, an important health concern associated to chronic liver injury that provides a permissive environment for cancer development, is characterized by the persistent deposition of extracellular matrix components mainly derived from activated hepatic stellate cells (HSCs). Brg1, the core subunit of the SWI/SNF chromatin remodeling complex, has been proved to associated with nonalcoholic steatohepatitis which may progress to cirrhosis. Herein, we determined whether Brg1 regulates liver fibrosis and examined its mechanism by focusing on HSCs activation. In this study, we demonstrate that Brg1 is elevated in human and mouse fibrotic liver tissues and Brg1 mediate the profibrotic response in activated HSCs. Our data indicate that Brg1 regulates the activation of HSCs through TGFβ/Smad signal pathway. Moreover, Brg1 deficiency mice displayed decreased HSCs activation in vitro and liver fibrogenesis after chronic damage by CCl{sub 4} administration. In addition, Brg1 expression is positively correlated with liver fibrosis in cirrhotic patients and may be a prognostic factor in HCC. Collectively, we demonstrate that Brg1 promotes liver fibrosis by activating HSCs and may represent a potential target for anti-fibrotic therapies.

60 APPLIED LIFE SCIENCES↗
DOE OSTI2021

LOXG473A induces the formation of osteoclasts in RAW264.7 cells via IL-6/JAK2/STAT3 signaling

Formation of osteoclasts is known to be closely associated with osteoporosis progression. LOX is a key enzyme that catalyzes the synthesis of collagen, which is the new mediator in osteoclast formation. However, the effect of LOXG473A on of osteoclast formation needs to be explored. Thereby, we sought to explore the effect of LOX{sub G473A} on formation of osteoclasts and its underlying mechanism. To investigate the function of LOX{sub G473A} in osteoclast formation, Raw264.7 cells were stably transfected with LOX-WT or LOX-MUT (LOX{sub G473A}). Real-time PCR and western blotting were used to detect the relative levels of osteoclast formation related genes and proteins. TRAP staining and immunofluorescence staining were used to test the ability of Raw264.7 cells to form osteoclasts and the ability of cells to form rings, respectively. Bone erosion assay was used to test bone resorptive activity. The data indicated that LOX{sub G473A} significantly enhanced the ability of osteoclasts forming, ring-forming and bone resorpting in Raw264.7 cells. Mechanically, LOX{sub G473A} upregulated the expressions of NFATC1, ACP5, CTSK, IL-6, and the proportion of p-JAK2/JAK2 and p-STAT3/STAT3, thereby promoting the formation of osteoclasts. In conclusion, we have verified that LOX{sub G473A} induces the proliferation of osteoclasts in Raw264.7 cells via IL-6/JAK2/STAT3 signaling, suggesting a novel strategy for studying osteoporosis.

60 APPLIED LIFE SCIENCES↗
DOE OSTI2012

Crystal Structure and Characterization of Particulate Methane Monooxygenase from Methylocystis species Strain M

Particulate methane monooxygenase (pMMO) is an integral membrane metalloenzyme that oxidizes methane to methanol in methanotrophic bacteria. Previous biochemical and structural studies of pMMO have focused on preparations from Methylococcus capsulatus (Bath) and Methylosinus trichosporium OB3b. A pMMO from a third organism, Methylocystis species strain M, has been isolated and characterized. Both membrane-bound and solubilized Methylocystis sp. strain M pMMO contain {approx}2 copper ions per 100 kDa protomer and exhibit copper-dependent propylene epoxidation activity. Spectroscopic data indicate that Methylocystis sp. strain M pMMO contains a mixture of Cu{sup I} and Cu{sup II}, of which the latter exhibits two distinct type 2 Cu{sup II} electron paramagnetic resonance (EPR) signals. Extended X-ray absorption fine structure (EXAFS) data are best fit with a mixture of Cu-O/N and Cu-Cu ligand environments with a Cu-Cu interaction at 2.52-2.64 {angstrom}. The crystal structure of Methylocystis sp. strain M pMMO was determined to 2.68 {angstrom} resolution and is the best quality pMMO structure obtained to date. It provides a revised model for the pmoA and pmoC subunits and has led to an improved model of M. capsulatus (Bath) pMMO. In these new structures, the intramembrane zinc/copper binding site has a different coordination environment from that in previous models.

03 NATURAL GAS↗
DOE OSTI2019

Leveraging Environmental Research and Observation Networks to Advance Soil Carbon Science

Soil organic matter (SOM) is a critical ecosystem variable regulated by interacting physical, chemical, and biological processes. Collaborative efforts to integrate perspectives, data, and models from interdisciplinary research and observation networks can significantly advance predictive understanding of SOM. We outline how integrating three networks—the Long-Term Ecological Research with a focus on ecological dynamics, the Critical Zone Observatories with strengths in landscape/geologic context, and the National Ecological Observatory Network with standardized multiscale measurements—can advance SOM knowledge. This integration requires improved data dissemination and sharing, coordinated data collection activities, and enhanced collaboration between empiricists and modelers within and across networks.

54 ENVIRONMENTAL SCIENCES↗
DOE OSTI2022

Integrated, Coordinated, Open, and Networked (ICON) Science to Advance the Geosciences: Introduction and Synthesis of a Special Collection of Commentary Articles

Abstract The sciences struggle to integrate across disciplines, coordinate across data generation and modeling activities, produce connected open data, and build strong networks to engage stakeholders within and beyond the scientific community. The American Geophysical Union (AGU) is divided into 25 sections intended to encompass the breadth of the geosciences. Here, we introduce a special collection of commentary articles spanning 19 AGU sections on challenges and opportunities associated with the use of ICON science principles. These principles focus on research intentionally designed to be Integrated, Coordinated, Open, and Networked (ICON) with the goal of maximizing mutual benefit (among stakeholders) and cross‐system transferability of science outcomes. This article (a) summarizes the ICON principles; (b) discusses the crowdsourced approach to creating the collection; (c) explores insights from across the articles; and (d) proposes steps forward. There were common themes among the commentary articles, including broad agreement that the benefits of using ICON principles outweigh the costs, but that using ICON principles has important risks that need to be understood and mitigated. It was also clear that the ICON principles are not monolithic or static, but should instead be considered a heuristic tool that can and should be modified to meet changing needs. As a whole, the collection is intended as a resource for scientists pursuing ICON science and represents an important inflection point in which the geosciences community has come together to offer insights into ICON principles as a unified approach for improving how science is done across the geosciences and beyond.

Goldman, A. E.↗
DOE OSTI2016

Allosteric nanobodies reveal the dynamic range and diverse mechanisms of G-protein-coupled receptor activation

G-protein-coupled receptors (GPCRs) modulate many physiological processes by transducing a variety of extracellular cues into intracellular responses. Ligand binding to an extracellular orthosteric pocket propagates conformational change to the receptor cytosolic region to promote binding and activation of downstream signalling effectors such as G proteins and β-arrestins. It is well known that different agonists can share the same binding pocket but evoke unique receptor conformations leading to a wide range of downstream responses (‘efficacy’). Furthermore, increasing biophysical evidence, primarily using the β 2 -adrenergic receptor (β 2 AR) as a model system, supports the existence of multiple active and inactive conformational states. However, how agonists with varying efficacy modulate these receptor states to initiate cellular responses is not well understood. Here we report stabilization of two distinct β 2 AR conformations using single domain camelid antibodies (nanobodies)—a previously described positive allosteric nanobody (Nb80) and a newly identified negative allosteric nanobody (Nb60). We show that Nb60 stabilizes a previously unappreciated low-affinity receptor state which corresponds to one of two inactive receptor conformations as delineated by X-ray crystallography and NMR spectroscopy. Furthermore, we find that the agonist isoprenaline has a 15,000-fold higher affinity for β 2 AR in the presence of Nb80 compared to the affinity of isoprenaline for βA 2 R in the presence of Nb60, highlighting the full allosteric range of a GPCR. Assessing the binding of 17 ligands of varying efficacy to the β 2 AR in the absence and presence of Nb60 or Nb80 reveals large ligand-specific effects that can only be explained using an allosteric model which assumes equilibrium amongst at least three receptor states. Agonists generally exert efficacy by stabilizing the active Nb80-stabilized receptor state (R 80 ). In contrast, for a number of partial agonists, both stabilization of R80 and destabilization of the inactive, Nb60-bound state (R 60 ) contribute to their ability to modulate receptor activation. These data demonstrate that ligands can initiate a wide range of cellular responses by differentially stabilizing multiple receptor states.

59 BASIC BIOLOGICAL SCIENCES↗
DOE OSTI2021

Structural insights on ligand recognition at the human leukotriene B4 receptor 1

The leukotriene B4 receptor 1 (BLT1) regulates the recruitment and chemotaxis of different cell types and plays a role in the pathophysiology of infectious, allergic, metabolic, and tumorigenic human diseases. Here we present a crystal structure of human BLT1 (hBLT1) in complex with a selective antagonist MK-D-046, developed for the treatment of type 2 diabetes and other inflammatory conditions. Comprehensive analysis of the structure and structure-activity relationship data, reinforced by site-directed mutagenesis and docking studies, reveals molecular determinants of ligand binding and selectivity toward different BLT receptor subtypes and across species. The structure helps to identify a putative membrane-buried ligand access channel as well as potential receptor binding modes of endogenous agonists. These structural insights of hBLT1 enrich our understanding of its ligand recognition and open up future avenues in structure-based drug design.

59 BASIC BIOLOGICAL SCIENCES↗
DOE OSTI2020

Equilibrium Thermodynamic Properties of Aqueous Solutions of Ionic Liquid 1-Ethyl-3-Methylimidazolium Methanesulfonate [EMIM][MeSO3]

Abstract The ionic liquid 1-ethyl-3-methylimidazolium methanesulfonate ([EMIM][MeSO 3 ]) has been considered as a promising alternative desiccant to triethylene glycol and lithium bromide commonly used in the industry. In this paper, the water activity coefficient of this binary system was measured from 303 K to 363 K with water concentration from 18% to 92%. The interaction energies between the ionic liquid molecules ( $${g}_{22}$$ g 22 ) and between the ionic liquid and water molecules ( $${g}_{12}$$ g 12 ) for the [EMIM][MeSO 3 ]/water binary system were determined from the water activity coefficient data using the Non-Random Two-Liquid (NRTL) model. The magnitude of the interaction energy between the [EMIM][MeSO 3 ] and water molecules ( $${g}_{12}$$ g 12 ) was found to be in the range of 45~49 kJ/mol, which was about 20% larger than that between the water molecules ( $${g}_{11}$$ g 11 ) in the [EMIM][MeSO 3 ]/water system. The large ( $${g}_{12}$$ g 12 ) can explain many observed macroscopic thermodynamic properties such as strong hygroscopicity in the ionic liquid [EMIM][MeSO 3 ]. These interaction energies were used to determine the heat of desorption of the [EMIM][MeSO 3 ]/water system, and the obtained heat of desorption was in good agreement with that calculated from the conventional Clausius-Clapeyron Equation.

42 ENGINEERING↗
DOE OSTI2021

Automating Bayesian inference and design to quantify acoustic particle levitation

Self-propulsion of micro- and nanoparticles powered by ultrasound provides an attractive strategy for the remote manipulation of colloidal matter using biocompatible energy inputs. Quantitative understanding of particle motion and its dependence on size, shape, and composition requires accurate characterization of the acoustic field, which depends sensitively on the experimental setup. Here, we show how automated experiments based on Bayesian inference and design can accurately and efficiently characterize the acoustic field within resonant chambers used to propel acoustic nanomotors. Repeated cycles of observation, inference, and design (OID) are guided by a physical model that describes the rate at which levitating particles approach the nodal plane. Using video microscopy, we observe the relaxation of tracer particles to this plane following the application of the acoustic field. We use sequential Monte Carlo methods to infer model parameters such as the amplitude and frequency of the resonant chamber while accounting for particle-level measurement noise and population-level heterogeneity in the field. Guided by simulated outcomes, we select the optimal design for the next experiment as to maximize the information gain in the relevant parameters. We show how this iterative process serves to discriminate between competing hypotheses and efficiently converges to accurate parameter estimates using only few automated experiments. We discuss the need for model criticism to ensure the validity of the guiding model throughout automated cycles of observation, inference, and design. Furthermore, this work demonstrates how Bayesian methods can learn the parameters of nonlinear, hierarchical models used to describe video microscopy data of active colloids.

42 ENGINEERING↗
DOE OSTI2011

Void evolution in polycarbonate at elevated temperatures

The void evolution in polycarbonate (PC) at elevated temperatures was investigated. Internal cylindrical cracks and voids were induced in PC by Nd-YAG laser irradiation. During the annealing at temperatures of 177-197 deg. C, the spherical void grows to a maximum size, which then decreases, and is finally leveling off. A model of void evolution based on the evaporation and condensation mechanisms for growth and shrinkage is proposed. The theoretical predictions are in good agreement with the experimental data. The activation energies of evaporation and condensation processes are determined to be 477.31 and 611.49 kJ/mol, respectively.

36 MATERIALS SCIENCE↗
DOE OSTI2013

Coordinated activities on evaluation of collisional data for fusion applications

It is the role of the Atomic and Molecular Data Unit of the International Atomic Energy Agency to review progress in the production, compilation and evaluation of atomic, molecular and plasma-surface interaction (AM/PSI) data for the fusion program and to support the development of internationally recommended libraries of AM/PSI data for fusion. In response to increasing requests from the fusion community the Unit has increased its effort to promote the assessment of data quality by organizing a series of meetings on the relevant issues: 1) Error propagation and sensitivity analysis, 2) Current status of evaluated databases, 3) Uncertainty estimates of theoretical data, 4) Experimental data evaluation, 5) Data evaluation methods and semi-empirical fits and 6) Establishment of an evaluators' network. The discussions and conclusions are summarized here.

70 PLASMA PHYSICS AND FUSION TECHNOLOGY↗
DOE OSTI2015

Effect of mixed transition metal ions on DC conductivity in lithium bismuth borate glasses

The DC conductivities of glasses having composition x(2NiO·V{sub 2}O{sub 5})·(30-x)Li{sub 2}O·20Bi{sub 2}O{sub 3}·50B{sub 2}O{sub 3} (with x=0, 2, 5, 7 and 10, i.e. NVLBB glasses) and glass samples having composition 7NiO·23 Li{sub 2}O·20Bi{sub 2}O{sub 3}·50B{sub 2}O{sub 3} and 7V{sub 2}O{sub 5}·23Li{sub 2}O·20Bi{sub 2}O{sub 3}·50B{sub 2}O{sub 3} (NLBB and VLBB respectively) are investigated as a function of temperature. Conductivity for glasses containing higher percentage of lithium ions is predominantly ionic and in glasses containing higher percentage of transition metal (TM) ions is predominantly electronic. The observed increase in conductivity with x and peak-like behavior at x=7 in NVLBB glasses due to competitive transport of small polaron contributing to a significant structural change in NVLBB glasses. Variation of molar volume and density was also observed with x. In NVLBB glasses, as x increases density increases except a slight decrease at x=7. Also density increases in NLBB whereas in case of VLBB it decreases in comparison to NVLBB1 glass composition. Mott’s small polaron hopping (SPH) model has been applied to analyze the high temperature conductivity data and activation energy.

75 CONDENSED MATTER PHYSICS, SUPERCONDUCTIVITY AND↗
DOE OSTI2023

Development of a bright MeV photon source with compound parabolic concentrator targets on the National Ignition Facility Advanced Radiographic Capability (NIF-ARC) laser

Compound parabolic concentrator (CPC) targets are utilized at the National Ignition Facility Advanced Radiographic Capability (NIF-ARC) laser to enhance the acceleration of electrons and production of high energy photons, for laser durations of 10 ps and energies up to 2.4 kJ. A large enhancement of mean electron energy (>2 ×) and photon brightness (>10×) is found with CPC targets compared to flat targets. Using multiple diagnostic techniques at different spatial locations and scaling by gold activation spatial data, photon spectra are characterized for E photon = 0.5-30 MeV. Beam width and pointing variations are given. The efficient production of MeV photons at I laser ≈ 2 x 10 18 W/cm 2 with CPCs is observed, with doses of >10 rad in air at 1 m for E photon > 0.5 MeV; these exceed those previously reported with laser-driven sources. Using this source, sub-mm resolution radiographs are generated through large areal density radiograph objects. Hence these results are promising for the development of bright MeV x-ray and particle sources on Petawatt class laser systems.

70 PLASMA PHYSICS AND FUSION TECHNOLOGY↗
DOE OSTI2016

Structure of the Shroom-Rho Kinase Complex Reveals a Binding Interface with Monomeric Shroom That Regulates Cell Morphology and Stimulates Kinase Activity

Shroom-mediated remodeling of the actomyosin cytoskeleton is a critical driver of cellular shape and tissue morphology that underlies the development of many tissues including the neural tube, eye, intestines, and vasculature. Shroom uses a conserved SD2 domain to direct the subcellular localization of Rho-associated kinase (Rock), which in turn drives changes in the cytoskeleton and cellular morphology through its ability to phosphorylate and activate non-muscle myosin II. Here in this paper, we present the structure of the human Shroom-Rock binding module, revealing an unexpected stoichiometry for Shroom in which two Shroom SD2 domains bind independent surfaces on Rock. Mutation of interfacial residues impaired Shroom-Rock binding in vitro and resulted in altered remodeling of the cytoskeleton and loss of Shroom-mediated changes in cellular morphology. In addition, we provide the first direct evidence that Shroom can function as a Rock activator. These data provide molecular insight into the Shroom-Rock interface and demonstrate that Shroom directly participates in regulating cytoskeletal dynamics, adding to its known role in Rock localization.

59 BASIC BIOLOGICAL SCIENCES↗
DOE OSTI2020

Applying the index of watershed integrity to the Matanuska–Susitna basin

The Matanuska-Susitna Borough is the fastest growing region in the State of Alaska and is impacted by a number of human activities. We conducted a multiscale assessment of the stressors facing the borough by developing and mapping the Index of Watershed Integrity (IWI) and Index of Catchment Integrity (the latter considers stressors in areas surrounding individual stream segments exclusive of upstream areas). The assessment coincided with the borough’s stormwater management planning. We adapted the list of anthropogenic stressors used in the original conterminous United States IWI application to reflect the borough’s geography, human activity, and data availability. This analysis also represents an early application of the NHDPlus High Resolution geospatial framework and the first use of the framework in an IWI study. We also explored how remediation of one important stressor, culverts, could impact watershed integrity at the catchment and watershed scales. Overall, we found that the integrity scores for the Matanuska– Susitna basin were high compared to the conterminous United States. Low integrity scores did occur in the rapidly developing Wasilla–Palmer core area. We also found that culvert remediation had a larger proportional impact in catchments with fewer stressors.

54 ENVIRONMENTAL SCIENCES↗
DOE OSTI2012

THE IMPLICATIONS OF M DWARF FLARES ON THE DETECTION AND CHARACTERIZATION OF EXOPLANETS AT INFRARED WAVELENGTHS

We present the results of an observational campaign which obtained high-cadence, high-precision, simultaneous optical and IR photometric observations of three M dwarf flare stars for 47 hr. The campaign was designed to characterize the behavior of energetic flare events, which routinely occur on M dwarfs, at IR wavelengths to millimagnitude precision, and quantify to what extent such events might influence current and future efforts to detect and characterize extrasolar planets surrounding these stars. We detected and characterized four highly energetic optical flares having U-band total energies of {approx}7.8 Multiplication-Sign 10{sup 30} to {approx}1.3 Multiplication-Sign 10{sup 32} erg, and found no corresponding response in the J, H, or Ks bandpasses at the precision of our data. For active dM3e stars, we find that a {approx}1.3 Multiplication-Sign 10{sup 32} erg U-band flare ({Delta}U{sub max} {approx} 1.5 mag) will induce <8.3 (J), <8.5 (H), and <11.7 (Ks) mmag of a response. A flare of this energy or greater should occur less than once per 18 hr. For active dM4.5e stars, we find that a {approx}5.1 Multiplication-Sign 10{sup 31} erg U-band flare ({Delta}U{sub max} {approx} 1.6 mag) will induce <7.8 (J), <8.8 (H), and <5.1 (Ks) mmag of a response. A flare of this energy or greater should occur less than once per 10 hr. No evidence of stellar variability not associated with discrete flare events was observed at the level of {approx}3.9 mmag over 1 hr timescales and at the level of {approx}5.6 mmag over 7.5 hr timescales. We therefore demonstrate that most M dwarf stellar activity and flares will not influence IR detection and characterization studies of M dwarf exoplanets above the level of {approx}5-11 mmag, depending on the filter and spectral type. We speculate that the most energetic megaflares on M dwarfs, which occur at rates of once per month, are likely to be easily detected in IR observations with sensitivity of tens of millimagnitudes. We also discuss how recent detections of line flux enhancements during M dwarf flares could influence IR transmission spectroscopic observations of M dwarf exoplanets.

79 ASTRONOMY AND ASTROPHYSICS↗
DOE OSTI2023

An autoencoder compression approach for accelerating large-scale inverse problems

Abstract Partial differential equation (PDE)-constrained inverse problems are some of the most challenging and computationally demanding problems in computational science today. Fine meshes required to accurately compute the PDE solution introduce an enormous number of parameters and require large-scale computing resources such as more processors and more memory to solve such systems in a reasonable time. For inverse problems constrained by time-dependent PDEs, the adjoint method often employed to compute gradients and higher order derivatives efficiently requires solving a time-reversed, so-called adjoint PDE that depends on the forward PDE solution at each timestep. This necessitates the storage of a high-dimensional forward solution vector at every timestep. Such a procedure quickly exhausts the available memory resources. Several approaches that trade additional computation for reduced memory footprint have been proposed to mitigate the memory bottleneck, including checkpointing and compression strategies. In this work, we propose a close-to-ideal scalable compression approach using autoencoders to eliminate the need for checkpointing and substantial memory storage, thereby reducing the time-to-solution and memory requirements. We compare our approach with checkpointing and an off-the-shelf compression approach on an earth-scale ill-posed seismic inverse problem. The results verify the expected close-to-ideal speedup for the gradient and Hessian-vector product using the proposed autoencoder compression approach. To highlight the usefulness of the proposed approach, we combine the autoencoder compression with the data-informed active subspace (DIAS) prior showing how the DIAS method can be affordably extended to large-scale problems without the need for checkpointing and large memory.

Mathematics↗
DOE OSTI2011

The Cosmic Linear Anisotropy Solving System (CLASS). Part II: Approximation schemes

Boltzmann codes are used extensively by several groups for constraining cosmological parameters with Cosmic Microwave Background and Large Scale Structure data. This activity is computationally expensive, since a typical project requires from 10{sup 4} to 10{sup 5} Boltzmann code executions. The newly released code CLASS (Cosmic Linear Anisotropy Solving System) incorporates improved approximation schemes leading to a simultaneous gain in speed and precision. We describe here the three approximations used by CLASS for basic ΛCDM models, namely: a baryon-photon tight-coupling approximation which can be set to first order, second order or to a compromise between the two; an ultra-relativistic fluid approximation which had not been implemented in public distributions before; and finally a radiation streaming approximation taking reionisation into account.

79 ASTRONOMY AND ASTROPHYSICS↗