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At least 739 records · Page 41
All sourcesNASA NTRSDOE OSTI
DOE OSTI2023

Metal-induced oxidative stress and human plasma protein oxidation after SARS-CoV-2 infection

Pathogenesis of COVID-19 by SARS-CoV-2 resulted in a global pandemic and public health emergency in 2020. Viral infection can induce oxidative stress through reactive oxygen species (ROS). Inflammation and environmental stress are major sources of oxidative stress after infection. Micronutrients such as iron, copper, zinc, and manganese play various roles in human tissues and their imbalance in blood can impact immune responses against pathogens including SARS CoV-2. We hypothesized that alteration of free metal ions during infection and metal-catalyzed oxidation plays a critical role towards pathogenesis after infection. We analyzed convalescent and hospitalized COVID-19 patient plasma using orthogonal analytical techniques to determine redox active metal concentrations, overall protein oxidation, oxidative modifications, and protein levels via proteomics to understand the consequences of metal-induced oxidative stress in COVID-19 plasma proteins. Metal analysis using ICP-MS showed significantly greater concentrations of copper in COVID-19 plasma compared to healthy controls. We demonstrate significantly greater total protein carbonylation, other oxidative modifications, and deamidation of plasma proteins in COVID-19 plasma compared to healthy controls. Proteomics analysis showed that levels of redox active proteins including hemoglobulin were elevated in COVID-19 plasma. Molecular modeling concurred with potential interactions between iron binding proteins and SARS CoV-2 surface proteins. Overall, increased levels of redox active metals and protein oxidation indicate that oxidative stress-induced protein oxidation in COVID-19 may be a consequence of the interactions of SARS-CoV-2 proteins with host cell metal binding proteins resulting in altered cellular homeostasis.

60 APPLIED LIFE SCIENCES↗
NASA NTRSDate not supplied

Isolating the Surface Type Influence on Arctic Cloud Properties

In response to anthropogenic climate change, substantial declines in sea ice have been observed. An urgent question is whether and how clouds respond to the changing Arctic surface. Due to the important radiative influence of clouds, the response of clouds to sea ice cover change constitutes a potentially important climate feedback within the Arctic. The sign of this feedback is strongly influenced by the seasonality of the cloud response to sea ice loss. Given the importance of this phenomenon, previous research focused on using observations of inter-annual variability to quantify the cloud-sea ice relationship. However, the reliance on inter-annual variability to assess the covariance between clouds and sea ice make it challenging to control for the influence of large-scale meteorology on the clouds. We have devised an approach that applies an in situ, airborne observational strategy to quantify the influence of surface type on Arctic clouds to satellite data. Our event-based method composites cloud property differences for ocean, marginal ice zone, and sea ice surface types for >5000 MIZ crossing events. We find that cloud properties in non-summer months below ~1.5 km are influenced by surface type such that greater cloud fraction and water content are found over ocean relative to sea ice regions. Results are statistically significantly at the 95% confidence level. During summer, the surface type does not influence the cloud properties. The primary cause of the surface type dependent cloud property differences is the thermodynamic profiles differences that occur between the two surface types: namely, ocean footprints are warmer, moister, have more positive surface turbulent fluxes and are less stable than their sea ice counterparts. We find that the differences in thermodynamic profiles by surface type that correspond to the cloud property differences also explains a significant portion of the variability across events. Our analysis provides evidence that the influence of surface type on cloud properties fundamentally occurs due to the inherent surface temperature differences between the surface types. Significant surface type influences on cloud properties are only found in the presence of surface temperature differences between the surface types and only non-summer months meet this criterion. A conceptual model of this process is as follows, fundamental properties of the ocean and sea ice surface types (e.g., surface albedo, heat capacity/thermal inertia, surface roughness, and thermal conductance) lead to systematic differences in the surface temperature by surface type. In response to this surface temperature difference, atmosphere boundary layer processes (including turbulent mixing and radiation) communicate the surface temperature differences to the lower atmosphere driving the greater stability over sea ice than ocean. These differences in the background thermodynamic state profiles between the surface types yield atmospheric conditions that are more conducive to cloud development over ocean than sea ice. The details of these boundary layer processes are sensitive to the surface type but may not be fundamental to the resulting thermodynamic structure and cloud differences. Thus, our results indicate that to accurately model that cloud response to sea ice loss in climate models the surface type properties that yield the systematic differences in ocean and sea ice temperature (e.g., surface albedo, surface turbulent fluxes parameters, and thermal conductance) must be accurately represented.

Arctic radiation budget↗
NASA NTRS1994

Aerosol Optical Depth Determinations for BOREAS

Automated tracking sun photometers were deployed by NASA/Ames Research Center aboard the NASA C-130 aircraft and at a ground site for all three Intensive Field Campaigns (IFCs) of the Boreal Ecosystem-Atmosphere Study (BOREAS) in central Saskatchewan, Canada during the summer of 1994. The sun photometer data were used to derive aerosol optical depths for the total atmospheric column above each instrument. The airborne tracking sun photometer obtained data in both the southern and northern study areas at the surface prior to takeoff, along low altitude runs near the ground tracking sun photometer, during ascents to 6-8 km msl, along remote sensing flightlines at altitude, during descents to the surface, and at the surface after landing. The ground sun photometer obtained data from the shore of Candle Lake in the southern area for all cloud-free times. During the first IFC in May-June ascents and descents of the airborne tracking sun photometer indicated the aerosol optical depths decreased steadily from the surface to 3.5 kni where they leveled out at approximately 0.05 (at 525 nm), well below levels caused by the eruption of Mt. Pinatubo. On a very clear day, May 31st, surface optical depths measured by either the airborne or ground sun photometers approached those levels (0.06-0.08 at 525 nm), but surface optical depths were often several times higher. On June 4th they increased from 0.12 in the morning to 0.20 in the afternoon with some evidence of brief episodes of pollen bursts. During the second IFC surface aerosol optical depths were variable in the extreme due to smoke from western forest fires. On July 20th the aerosol optical depth at 525 nm decreased from 0.5 in the morning to 0.2 in the afternoon; they decreased still further the next day to 0.05 and remained consistently low throughout the day to provide excellent conditions for several remote sensing missions flown that day. Smoke was heavy for the early morning of July 24th but cleared partially by 10:30 local time and cleared fully by 11:30. Heavy smoke characterized the rest of the IFC in both study areas.

Wrigley, R. C.↗
NASA NTRS1975

Hybrid upper surface blown flap propulsive-lift concept for the quiet short-haul research aircraft

The hybrid upper surface blowing concept consists of wing-mounted turbofan engines with a major portion of the fan exhaust directed over the wing upper surface to provide high levels of propulsive lift, but with a portion of the fan airflow directed over selected portions of the airframe to provide boundary layer control. NASA-sponsored preliminary design studies identified the hybrid upper surface blowing concept as the best propulsive lift concept to be applied to the Quiet Short-Haul Research Aircraft (QSRA) that is planned as a flight facility to conduct flight research at low noise levels high approach lift coefficients, and steep approaches. Data from NASA in-house and NASA-sponsored small and large-scale wind tunnel tests of various configurations using this concept are presented.

Cochrane, J. A.↗
NASA NTRS1975

Hybrid upper surface blown flap propulsive-lift concept for the Quiet Short-Haul Research Aircraft

The hybrid upper surface blowing concept consists of wing-mounted turbofan engines with a major portion of the fan exhaust directed over the wing upper surface to provide high levels of propulsive lift, but with a portion of the fan airflow directed over selected portions of the airframe to provide boundary layer control. NASA-sponsored preliminary design studies identified the hybrid upper surface blowing concept as the best propulsive lift concept to be applied to the Quiet Short-Haul Research Aircraft (QSRA) that is planned as a flight facility to conduct flight research at low noise levels, high approach lift coefficients, and steep approaches. Data from NASA in-house and NASA-sponsored small and large-scale wind tunnel tests of various configurations using this concept are presented.

Cochrane, J. A.↗
NASA NTRS1976

Molecular cluster theory for chemisorption of first row atoms on nickel /100/ surfaces

Self-consistent Hartree-Fock-Slater molecular cluster models for the chemisorption of first-row atoms on Ni(100) surfaces are presented. Energy levels and ground-state charge distributions are given for XNi5 clusters with the adatom X = H, C, N, O located in C4V symmetry at a fixed height of 2.0 au above the surface. The variation of properties with height was studied in detail for the case of oxygen. Theoretical results compare rather well with experimental photoelectron and energy-loss data. Local-densities-of-states diagrams are used to clarify the interaction between adsorbate levels and metal conduction bands.

Ellis, D. E.↗
DOE OSTI2025

Site-specific surface reactivity on MgO for atomic layer deposition via selective hydration

Atomic layer deposition (ALD) is a powerful technique for thin film synthesis, offering atomic-scale precision and conformality. While ALD of MgO has been widely studied for applications in energy storage and microelectronics, its potential as surface on which deposition may be selective and defects repaired remains underexplored. Here, we present a combined theoretical and experimental investigation of MgO surface hydration and its implications for targeted ALD growth using water and dimethyl aluminum isopropoxide (DMAI) as reactants. We perform density functional theory (DFT) calculations to examine molecular and dissociative H 2 O adsorption on MgO (100) terraces and step-edge sites, including pristine surfaces and those with Mg/O vacancies. Reaction Gibbs free energies are calculated under various conditions to quantify surface reactivity. Our findings reveal facet- and defect-dependent hydration behaviors that align with experimental ALD growth trends on MgO (100). This study provides a molecular-level understanding of MgO surface chemistry critical for optimizing ALD processes for thin film growth and defect repair.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗
NASA NTRS1972

A traverse gravimeter for the lunar surface.

A semiautomatic, self-leveling lunar gravimeter has been designed for the purpose of measuring gravity at predetermined stops along the route of a Lunar Rover Vehicle to obtain a gravity profile. The Traverse Gravimeter is completely self-contained and is powered by an internal battery. The gravity sensor is a vibrating string accelerometer (VSA) which is enclosed in a precision oven. Gravity data are obtained by initiating a measurement. After the gravimeter has leveled, the VSA difference frequency is counted down and a gate is generated to enable a crystal-controlled clock to a BCD counter. The BCD counter stores the data which are a measurement of gravity. These data, displayed upon command by the astronaut, are transmitted by voice back to earth.

Mamon, G.↗
NASA NTRS1978

A composition and thickness model for lunar impact crater and basin deposits

A model was developed for determining the composition and thicknesses of continuous deposits of large lunar impact craters and basins. Results of a photogeologic study and topographic analysis of continuous deposits of the lunar crater Delisle, which support the model, show that numerous secondary craters and crater chains with concentric dunes on their uprange rims occur well within the mapped deposits. At any given radius from Delisle, the secondary craters are of equal freshness and not vastly different in size, but with increasing radius they become better defined. The upper surface of the continuous deposits reaches the level of the pre-existing mare surface well within the mapped boundary of the deposits.

Morrison, R. H.↗
NASA NTRS1989

Tropical Pacific climate trends since 1960

Merchant ship observations appear to indicate an increase in the strength of the surface winds in the tropical Pacific and elsewhere in recent decades. Here, trends in tropical Pacific sea surface temperature and sea level, which has repeatedly been shown to be closely related to the winds, are investigated. The results suggest that sea levels since 1960 have been rising oceanwide at about 3.5 cm/decade, while simultaneously tilting about 2 cm/decade higher in the east and lower in the west, and that surface temperatures have been rising about 0.6 C/decade. These results are not consistent with the apparent wind change; rather, they support the contention that the apparent wind changes are an artifact introduced by changes in measurement technique, and suggest that tropical Pacific winds may have actually decreased in strength.

Posmentier, Eric S.↗
DOE OSTI2022

Vibrational levels of a generalized Morse potential

A Generalized Morse Potential (GMP) is an extension of the Morse Potential (MP) with an additional exponential term and an additional parameter that compensate for MP’s erroneous behavior in the long range part of the interaction potential. Because of the additional term and parameter, the vibrational levels of the GMP cannot be solved analytically, unlike the case for the MP. We present several numerical approaches for solving the vibrational problem of the GMP based on Galerkin methods, namely, the Laguerre Polynomial Method (LPM), the Symmetrized LPM, and the Polynomial Expansion Method (PEM), and apply them to the vibrational levels of the homonuclear diatomic molecules B 2 , O 2 , and F 2 , for which high level theoretical near full configuration interaction (CI) electronic ground state potential energy surfaces and experimentally measured vibrational levels have been reported. Overall, the LPM produces vibrational states for the GMP that are converged to within spectroscopic accuracy of 0.01 cm –1 in between 1 and 2 orders of magnitude faster and with much fewer basis functions/grid points than the Colbert–Miller Discrete Variable Representation (CN-DVR) method for the three homonuclear diatomic molecules examined in this study.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗
DOE OSTI2021

Structures of Two Human Astrovirus Capsid/Neutralizing Antibody Complexes Reveal Distinct Epitopes and Inhibition of Virus Attachment to Cells

Human astrovirus is an important cause of viral gastroenteritis worldwide. Young children, the elderly, and the immunocompromised are especially at risk for contracting severe disease. However, no vaccines exist to combat human astrovirus infection. Evidence points to the importance of antibodies in protecting healthy adults from reinfection. To develop an effective subunit vaccine that broadly protects against diverse astrovirus serotypes, we must understand how neutralizing antibodies target the capsid surface at the molecular level. Here, we report the structures of the human astrovirus capsid spike domain bound to two neutralizing monoclonal antibodies. These antibodies bind two distinct conformational epitopes on the spike surface. We add to existing evidence that the human astrovirus capsid spike contains a receptor-binding domain and demonstrate that both antibodies neutralize human astrovirus by blocking virus attachment to host cells. We identify patches of conserved amino acids which overlap or border the antibody epitopes and may constitute a receptor-binding site. Our findings provide a basis for developing therapies to prevent and treat human astrovirus gastroenteritis.

59 BASIC BIOLOGICAL SCIENCES↗
DOE OSTI2020

Cryogenic spatial–temporal imaging of surface photocarrier dynamics in MAPbI 3 films at the single grain level

We use cryogenic spatial–temporal photoluminescence (PL) imaging measurements down to 10 K and with short-wavelength, 405 nm laser excitation to study surface charge generation, trapping, and recombination at single bright and dark grains as well as their boundaries in model methylammonium lead iodide (MAPbI 3 ) polycrystalline thin films. These salient conditions are shown to be critical for identifying both the detrimental and cooperative roles of grain microstructures where the dark grains serve as the PL quenching center, while the grain boundaries are largely benign and may promote electron–hole separation.

36 MATERIALS SCIENCE↗
DOE OSTI2025

Mechanistic insights into rubidium ion adsorption at the quartz (101) surface from quantum chemical metadynamics

Ion sorption extent and mechanism depend in part on the mineral surface termination, which can be highly complex. Variations in surface functional groups, particularly with defect density and surface roughness, influence mineral reactivity towards solutes. In this work, we investigate the adsorption of a rubidium cation (Rb + ) at pristine and defect quartz (101) surface sites using well-tempered metadynamics, based on simulations with the quantum chemical density-functional tight-binding (DFTB) method. We compare the relative energetics of Rb + adsorption across selected sites for each surface, with nanosecond-level sampling, highlighting similarities between vicinal and geminal silanol sites. We find that the positive Rb + partial atomic charge can increase by as much as 0.5e as it approaches the surface, with implications for modulation of ion adsorption strength and extent at the quartz (101) surface with surface vacancies, silanol coverage, and charge.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗
DOE OSTI2024

INL Alpha Background Radiation Study

Radiological emergencies that result in the dispersion of radioactive materials to the environment require the deployment of field monitoring teams to determine the quantity and location of the dispersed radioactive material. This information is utilized by the emergency operations center to aid in determining the appropriate protective action recommendations. The background alpha emission rates from normal environmental surfaces of soil, concrete and asphalt as measured by portable instrumentation used by field monitoring teams are not well documented. Idaho National Laboratory conducted a study of the alpha radiation background levels of the environmental surfaces in eastern Idaho to determine the normal background rates. Results for normal dry surfaces and those wetted by precipitation were measured and reported.

61 RADIATION PROTECTION AND DOSIMETRY↗
NASA NTRS1975

Effects of radiation on charge-coupled devices

The effects of 1 MeV electron irradiation upon the performance of two phase, polysilicon aluminum gate CCDs are reported. Both n- and p-surface channel and n-buried channel devices are investigated using 64- and 128-stage line arrays. Characteristics measured as a function of radiation dose include: Transfer inefficiency, threshold voltage, field effect mobility, interface state density, full well signal level and dark current. Surface channel devices are found to degrade considerably at less than 10 to the 5th power rads (Si) due to the large increase in fast interface state density caused by radiation. Buried channel devices maintain efficient operation to the highest dose levels used.

Carnes, J. E.↗
NASA NTRSDate not supplied

Comparing Low-Cost Sensors with Ground-Based and Airborne In-Situ and Column Observations of NO2 and HCHO during the FRAPPE Field Campaign in Colorado, USA

Even in the presence of more reliable air quality tools, low-cost sensors have the benefit of recording data on highly localized spatial and temporal scales, allowing for multiple measurements within a single satellite pixel and on pixel boundaries. However, they are less accurate than their regulatory-grade counterparts, requiring regular co-locations with accepted instruments to ensure their validity. Thus, the addition of low-cost sensors to a field campaign – where reference-grade air quality instruments are abundant – not only provides ample opportunities for low-cost sensor co-location and calibration, but also allows the low-cost instruments to be used for sub-pixel validation, covering more surface area than the regulatory instruments alone with a network of sensors. During the summer of 2014, our low-cost sensor network was deployed during the Front Range Air Pollution and Photochemistry Experiment (FRAPPÉ) campaign conducted to sample the composition of air at and above ground level in northeastern Colorado, USA. The low-cost sensor platform included a suite of gas-phase sensors, notably NO2 and two generalized volatile organic compound (VOC) sensors, which were leveraged together to quantify speciated hydrocarbons such as formaldehyde. These key pollutants were chosen for their impacts on human health and climate change, as well as their inclusion on the TEMPO satellite launching this year. Airborne campaign measurements included slant column optical observations of formaldehyde (HCHO), nitrogen dioxide (NO2), and ozone (O3). Myriad additional in-situ instruments described chemical composition up to approximately 5 km above surface level. Ground-based instrumentation included both stationary and mobile regulatory-grade instruments, which were used for sensor calibration. Machine learning techniques such as artificial neural networks (ANNs) were used to match the low-cost signals to that of the reference-grade instruments. Here, we compare calibrated low-cost sensor data collected at ground level in a variety of locations along Colorado’s Front Range to various data sources from the FRAPPÉ campaign to better understand how well airborne and regulatory ground-based measurements can be extrapolated to other locations. Further, as the slant column measurements act as satellite simulators, we explore how low-cost instruments can be used for satellite validation purposes. Comparisons among these different data types also have important implications in data fusion.

Kristen Okorn↗