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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 289 records · Page 16
All sourcesNASA NTRSDOE OSTI
DOE OSTI2024

Jurassic deserts and CO2 sequestration: the Glen Canyon Group in Utah, western USA

The Early Jurassic in the Western Interior of USA consisted of an extensive desert environment, including one of the largest ergs in geologic history. The Navajo erg has been estimated to extend as much as 2.2 million square kilometers, though the preserved extent is somewhat smaller. The Mesozoic was a global greenhouse phase, and during the Jurassic this region experienced fluctuations in climate aridity, reflected in the depositional environment. In addition to extensive dunefields, interdune deposits (lakes and oases) and fluvial systems are also documented within formations of the Glen Canyon Group. The Navajo Sandstone has received much attention as a potential CO2 injection target in recent years. It consists of thick, aeolian sandstones with high porosity and permeability, occurs in both outcrop and subcrop, and has industry data. Mapping of stratigraphic and sedimentologic changes within the Navajo Sandstone has been undertaken in localized areas, however piecing together these studies and developing regional models for CO2 potential has not received as much attention. There is significant industry data across Utah, and utilizing this data to pivot from a focus on hydrocarbon extraction to CO2 injection is an effective way to move forward with green energy, and to meet carbon neutral emission goals. Using legacy well data, we are developing a more comprehensive study of the Navajo Sandstone as a potential CO2 reservoir, in addition to identifying other zones of interest within the Glen Canyon Group, and improving understanding of stratigraphic complexity within one of the most significant aeolian systems in the world.

Mahon, Elizabeth↗
DOE OSTI2014

Osmoregulation in Methanogens (and Other Interesting Organisms)

Our research has been aimed at (i) identifying, (ii) determining mode of regulation, and (iii) understanding how different classes of compatible solutes (also termed osmolytes) affect macromolecular stability in response to osmotic and thermal stress. For solutes we have identified (e.g., di-inositol-1,1’-phosphate (DIP)), we used NMR to elucidate biosynthetic pathways and then cloned suspected enzymes in the pathway to explore how they are regulated. Compatible solutes are thought to protect proteins from thermal and osmotic stresses by being excluded from the surface, allowing critical water molecules to interact with the protein. This implies there are no specific binding interactions between osmolytes and proteins. However, we and others have often observed very specific solute effects for proteins that suggest a more direct interaction between solute and protein is likely can occur. Measuring such a weak interaction is extremely difficult. We have developed a solution NMR method, high-resolution field cycling relaxometry, that can measure spin-lattice relaxation rates as a function of magnetic field from 11.7 (the field of a 500 MHz spectrometer) to 0.003 T. The methodology is ideal for nuclei in small molecules with moderately long relaxation times at high fields – phosphate groups (31P), enriched carbonyls (13C), or methyl groups (1H). The protein of interest is spin-labeled to introduce a large dipole on it that will dominate the relaxation of nuclei on any small molecules that bind transiently. The key is to measure relaxation below 1-2 T (and extract nuclei-spin label distances in the bound complex) where the small molecule relaxation will be dominated by dipolar mechanisms with a correlation time indicative of the large protein complex. Our explorations of an inositol monophosphatase (the last step in DIP generation) localized four discrete binding sides for the thermoprotectant α-glutamate. This is a novel approach, and while the work did not fully explain how this solute protected the IMPase from thermal denaturation, it did showcase a new and exciting method to monitor weak binding in biological systems.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗
DOE OSTI2014

New Horizons in C-F Activation by Main Group Electrophiles (Final Technical Report)

We became interested in developing new methods for hydrodefluorination (HDF) and other types of C-F bond conversion in polyfluoroalkanes under mild conditions. We were attracted to an approach to C-F activation, where the key C-F cleavage proceeds by a Lewis acid abstraction of fluoride rather than a redox event. The efforts during the previous period were aimed at a) advancing the HDF reactivity with improvement in scope and catalyst longevity; b) extending C-F activation beyond HDF; c) generating insight about the elementary steps of the reaction and potential intermediates.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗
NASA NTRS2001

High Resolution Infrared Spectroscopy of Molecules of Terrestrial and Planetary Interest

In collaboration with the laboratory spectroscopy group of the Ames Atmospheric Physics Research Branch (SGP), high resolution infrared spectra of molecules that are of importance for the dynamics of the earth's and other planets' atmospheres were acquired using the SGP high resolution Fourier transform spectrometer and gas handling apparatus. That data, along with data acquired using similar instrumentation at the Kitt Peak National Observatory was analyzed to determine the spectral parameters for each of the rotationally resolved transitions for each molecule. Those parameters were incorporated into existing international databases (e.g. HITRANS and GEISA) so that field measurements could be converted into quantitative information regarding the physical and chemical structures of earth and planetary atmospheres.

Freedman, Richard S.↗
NASA NTRS2002

Development and Operations of the Astrophysics Data System

The Astrophysics Data System (ADS) was represented at the AAS meeting in San Diego with an oral talk and a demonstration. The demonstration was hugely successful, especially in light of the fact that the meeting was attended by about 1,200 Physics teachers. This was a group that we had no contact with before. They were very interested in the ADS. Having made contact with this group should help to further propagate knowledge about the ADS in the Physics community and bring it to the attention of young scientists. Two new mirror sites were established, one in India and in Russia. The site in India is fully operational, the site in Russia is waiting for the data tapes to be loaded. The preprint database is already functional. The mirror site in India is expected to become a full article mirror site soon. The mirror site in Russia is expected to become a partial article mirror site in the near future. The mirror site in China now has a full article mirror. This is the second full article mirror site after the one in Japan. The mirror site at the CDS in France is working on configuring disks for another full article mirror.

Murray, Stephen S.↗
NASA NTRS2002

Development and Operations of the Astrophysics Data System

The ADS was represented at the AAS meeting in San Diego with an oral talk and a demonstration. The demonstration was hugely successful, especially in light of the fact that the meeting was attended by about 1,200 Physics teachers. This was a group that we had no contact with before. They were very interested in the ADS. Having made contact with this group should help to further propagate knowledge about the ADS in the Physics community and bring it to the attention of young scientists. Two new mirror sites were established, one in India and in Russia. The site in India is fully operational, the site in Russia is waiting for the data tapes to be loaded. The preprint database is already functional. The mirror site in India is expected to become a full article mirror site soon. The mirror site in Russia is expected to become a partial article mirror site in the near future. The mirror site in China now has a full article mirror. This is the second full article mirror site after the one in Japan. The mirror site at the CDS in France is working on configuring disks for another full article mirror.

Murray, Stephen S.↗
DOE OSTI2018

Synthesis and structure of 6-azido-2,4-bis(2,2,2-trinitroethylamino)-1,3,5-triazine and its N-nitro derivatives

Methods were developed for the synthesis of 6-azido-2,4-bis(2,2,2-trinitroethylamino)- 1,3,5-triazine and its N-nitro derivatives (6-azido-2,4-bis(2,2,2-trinitroethyl)nitramino-1,3,5-triazine and 6-azido-2-(2,2,2-trinitroethylamino)-4-(2,2,2-trinitroethyl)nitramino-1,3,5-triazine) containing combinations of azido, trinitroethyl, and nitramine groups. These compounds are of interest as components of energetic composites. The molecular and crystal structures of 6-azido-2,4-bis(2,2,2-trinitroethylamino)-1,3,5-triazine and 6-azido-2,4-bis(2,2,2-trinitroethyl) nitramino-1,3,5-triazine were studied by X-ray diffraction and NMR spectroscopy.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗
DOE OSTI2025

Design, synthesis, evaluation and X-ray structural studies of potent HIV-1 protease inhibitors containing substituted oxaspirocyclic carbamates as the P2 ligands

Here, we report here the design, synthesis and evaluation of a series of HIV-1 protease inhibitors that incorporate substituted oxaspirocyclic carbamate derivatives to serve as the P2 ligands. Various substituted ligand derivatives were synthesized in a racemic manner, using a tandem Prins/pinacol reaction as the key reaction. This reaction sets the relative stereochemistry of the oxaspirocyclic template in a highly diastereoselective manner. Reaction of the resulting ketone with enantiopure (S)-tert-butyl sulfinamide provided a convenient pathway to resolve the oxaspirocyclic ketone derivatives. The absolute stereochemical identity was determined by X-ray crystallography. The structure-activity studies demonstrate the effect of the stereochemistry of the oxaspirocyclic ring systems as well as the substitution effect on the aromatic ring. Several inhibitors exhibited potent HIV-1 protease inhibitory activity. One of these inhibitors displayed subnanomolar HIV-1 protease affinity and also exhibited potent antiviral activity. A high-resolution X-ray crystal structure of this inhibitor-bound HIV-1 protease show that the oxaspirocyclic P2 ligand forms an unconventional C–H⋯O bond with the backbone carboxyl group of Gly48’ and an interesting N–H … π interaction with the aromatic ring in the S2 subsite of HIV-1 protease active site.

Antiviral↗
DOE OSTI2018

Metabolic brain networks in aging and preclinical Alzheimer's disease

Metabolic brain networks can provide insight into the network processes underlying progression from healthy aging to Alzheimer's disease. We explore the effect of two Alzheimer's disease risk factors, amyloid-β and ApoE ε4 genotype, on metabolic brain networks in cognitively normal older adults (N = 64, ages 69–89) compared to young adults (N = 17, ages 20–30) and patients with Alzheimer's disease (N = 22, ages 69–89). Subjects underwent MRI and PET imaging of metabolism (FDG) and amyloid-β (PIB). Normal older adults were divided into four subgroups based on amyloid-β and ApoE genotype. Metabolic brain networks were constructed cross-sectionally by computing pairwise correlations of metabolism across subjects within each group for 80 regions of interest. We found widespread elevated metabolic correlations and desegregation of metabolic brain networks in normal aging compared to youth and Alzheimer's disease, suggesting that normal aging leads to widespread loss of independent metabolic function across the brain. Amyloid-β and the combination of ApoE ε4 led to less extensive elevated metabolic correlations compared to other normal older adults, as well as a metabolic brain network more similar to youth and Alzheimer's disease. This could reflect early progression towards Alzheimer's disease in these individuals. Altered metabolic brain networks of older adults and those at the highest risk for progression to Alzheimer's disease open up novel lines of inquiry into the metabolic and network processes that underlie normal aging and Alzheimer's disease.

Neurosciences & Neurology↗
DOE OSTI2017

Incorporating Rich Mesoporosity into a Ceria-Based Catalyst via Mechanochemistry

Ceria-based materials possessing mesoporous structures afford higher activity than the corresponding bulk materials in CO oxidation and other catalytic applications, because of the wide pore channel and high surface area. The development of a direct, template-free, and scalable technology for directing porosity inside ceriabased materials is highly welcome. Here in this paper, a family of mesoporous transition-metaldoped ceria catalysts with specific surface areas up to 122 m 2 g -1 is constructed by mechanochemical grinding. No templates, additives, or solvents are needed in this process, while the mechanochemistry-mediated restructuring and the decomposing of the organic group led to plentiful mesopores. Interestingly, the copper species are evenly dispersed in the ceria matrix at the atomic scale, as observed in high resolution scanning transmission electron microscopy in high angle annular dark field. The copper-doped ceria materials show good activity in the CO oxidation.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗
DOE OSTI2012

THE CLASSIFICATION OF KEPLER B-STAR VARIABLES

The light curves of 252 B-star candidates in the Kepler database are analyzed in a similar fashion to that done by Balona et al. to further characterize B-star variability, increase the sample of variable B stars for future study, and to identify stars whose power spectra include particularly interesting features such as frequency groupings. Stars are classified as either constant light emitters, {beta} Cep stars, slowly pulsating B stars (SPBs), hybrid pulsators, binaries or stars whose light curves are dominated by rotation (Bin/Rot), hot subdwarfs, or white dwarfs. One-hundred stars in our sample were found to be either light constants or to be variable at a level of less than 0.02 mmag. We increase the number of candidate B-star variables found in the Kepler database by Balona et al. in the following fashion: {beta} Cep stars from 0 to 10, SPBs from eight to 54, hybrid pulsators from seven to 21, and Bin/Rot stars from 23 to 82. For comparison purposes, approximately 51 SPBs and six hybrids had been known prior to 2007. The number of {beta} Cep stars known prior to 2004 was 93. A secondary result of this study is the identification of an additional 11 pulsating white dwarf candidates, four of which possess frequency groupings.

79 ASTRONOMY AND ASTROPHYSICS↗
DOE OSTI2020

Machine learning enabled discovery of application dependent design principles for two-dimensional materials

Abstract The unique electronic and mechanical properties of two-dimensional (2D) materials make them promising next-generation candidates for a variety of applications. Large-scale searches for high-performing 2D materials are limited to calculating descriptors with computationally demanding first-principles density functional theory. In this work, we alleviate this issue by extending and generalizing crystal graph convolutional neural networks to systems with planar periodicity and train an ensemble of models to predict thermodynamic, mechanical and electronic properties. We carry out a screening of nearly 45,000 structures for two separate applications: mechanical strength and photovoltaics. By collecting statistics of the screened candidates, we investigate structural and compositional design principles that impact the properties of the structures surveyed. Our approach recovers some well-accepted design rules: hybrid organic-inorganic perovskites with lead and tin tend to be good candidates for solar cell applications and titanium based MXenes usually have high stiffness coefficients. Interestingly, other members of the group 4 elements also contribute to increasing the mechanical strength of MXenes. For all-inorganic perovskites, we discover some compositions that have not been deeply studied in the field of photovoltaics and thus open up paths for further investigation. We open-source the code-base to spur further development in this space.

Venturi, Victor (ORCID:0000000156727549)↗
DOE OSTI2017

First-principles study on the electronic, optical, and transport properties of monolayer α- and β-GeSe

The extraordinary properties and the novel applications of black phosphorene induce the research interest in the monolayer group-IV monochalcogenides. Here using first-principles calculations, we systematically investigate the electronic, transport, and optical properties of monolayer α- and β-GeSe, revealing a direct band gap of 1.61 eV for monolayer α-GeSe and an indirect band gap of 2.47 eV for monolayer β-GeSe. For monolayer β-GeSe, the electronic/hole transport is anisotropic, with an extremely high electron mobility of 2.93×104cm2/Vs along the armchair direction, comparable to that of black phosphorene. However, for β-GeSe, robust band gaps nearly independent of the applied tensile strain along the armchair direction are observed. Both monolayer α- and β-GeSe exhibit anisotropic optical absorption in the visible spectrum.

36 MATERIALS SCIENCE↗
DOE OSTI2020

Joint Estimation of Topology and Injection Statistics in Distribution Grids with Missing Nodes

Optimal operation of distribution grid resources relies on accurate estimation of its state and topology. Practical estimation of such quantities is complicated by the limited presence of real-time meters. This article discusses a theoretical framework to jointly estimate the operational topology and statistics of injections in radial distribution grids under limited availability of nodal voltage measurements. In particular, we show that our proposed algorithms are able to provably learn the exact grid topology and injection statistics at all unobserved nodes as long as they are not adjacent. The algorithm design is based on novel ordered trends in voltage magnitude fluctuations at node groups, that are independently of interest for radial physical flow networks. The complexity of the designed algorithms is theoretically analyzed and their performance is validated using both linearized and nonlinear ac power flow samples in test distribution grids.

97 MATHEMATICS AND COMPUTING↗
DOE OSTI2017

Unintended Laboratory-Driven Evolution Reveals Genetic Requirements for Biofilm Formation by Desulfovibrio vulgaris Hildenborough

ABSTRACT Biofilms of sulfate-reducing bacteria (SRB) are of particular interest as members of this group are culprits in corrosion of industrial metal and concrete pipelines as well as being key players in subsurface metal cycling. Yet the mechanism of biofilm formation by these bacteria has not been determined. Here we show that two supposedly identical wild-type cultures of the SRB Desulfovibrio vulgaris Hildenborough maintained in different laboratories have diverged in biofilm formation. From genome resequencing and subsequent mutant analyses, we discovered that a single nucleotide change within DVU1017, the ABC transporter of a type I secretion system (T1SS), was sufficient to eliminate biofilm formation in D. vulgaris Hildenborough. Two T1SS cargo proteins were identified as likely biofilm structural proteins, and the presence of at least one (with either being sufficient) was shown to be required for biofilm formation. Antibodies specific to these biofilm structural proteins confirmed that DVU1017, and thus the T1SS, is essential for localization of these adhesion proteins on the cell surface. We propose that DVU1017 is a member of the lapB category of microbial surface proteins because of its phenotypic similarity to the adhesin export system described for biofilm formation in the environmental pseudomonads. These findings have led to the identification of two functions required for biofilm formation in D. vulgaris Hildenborough and focus attention on the importance of monitoring laboratory-driven evolution, as phenotypes as fundamental as biofilm formation can be altered. IMPORTANCE The growth of bacteria attached to a surface (i.e., biofilm), specifically biofilms of sulfate-reducing bacteria, has a profound impact on the economy of developed nations due to steel and concrete corrosion in industrial pipelines and processing facilities. Furthermore, the presence of sulfate-reducing bacteria in oil wells causes oil souring from sulfide production, resulting in product loss, a health hazard to workers, and ultimately abandonment of wells. Identification of the required genes is a critical step for determining the mechanism of biofilm formation by sulfate reducers. Here, the transporter by which putative biofilm structural proteins are exported from sulfate-reducing Desulfovibrio vulgaris Hildenborough cells was discovered, and a single nucleotide change within the gene coding for this transporter was found to be sufficient to completely stop formation of biofilm.

59 BASIC BIOLOGICAL SCIENCES↗
DOE OSTI2013

Participant Assisted Data Collection Methods in the California Healthy Homes Indoor Air Quality Study of 2011-13

From November 2011 to March 2013, air quality was measured over 6-day periods in 324 residences across California using a mail-out strategy. All interactions with study participants, from recruitment, to data collection, to communication of results, were conducted with remote communication methods including conventional mail, electronic mail, telephone and text messaging. Potential participants were reached primarily by sharing study information with community groups and organizations that directed interested individuals to complete an online screening survey. Pollutant concentrations were measured with sampling equipment that was mailed to participants’ homes with deployment instructions. Residence and household characteristics and activity data were collected via two phone surveys and an activity log. A comparison of responses to survey questions completed online versus over the phone indicated that a substantial fraction of participants (roughly 20%) required a researcher’s assistance to respond to basic questions about appliance characteristics. Using the printed instructions and telephone assistance from researchers, roughly 90% of participants successfully deployed and returned sampling materials accurately and on schedule. The mail-out strategy employed in this study was found to be a cost-effective means for collecting residential air quality data.

32 ENERGY CONSERVATION, CONSUMPTION, AND UTILIZATI↗
DOE OSTI2013

Participant Assisted Data Collection Methods in the California Healthy Homes Indoor Air Quality Study of 2011-13

From November 2011 to March 2013, air quality was measured over 6-day periods in 324 residences across California using a mail-out strategy. All interactions with study participants, from recruitment, to data collection, to communication of results, were conducted with remote communication methods including conventional mail, electronic mail, telephone and text messaging. Potential participants were reached primarily by sharing study information with community groups and organizations that directed interested individuals to complete an online screening survey. Pollutant concentrations were measured with sampling equipment that was mailed to participants' homes with deployment instructions. Residence and household characteristics and activity data were collected via two phone surveys and an activity log. A comparison of responses to survey questions completed online versus over the phone indicated that a substantial fraction of participants (roughly 20%) required a researcher's assistance to respond to basic questions about appliance characteristics. Using the printed instructions and telephone assistance from researchers, roughly 90% of participants successfully deployed and returned sampling materials accurately and on schedule. The mail-out strategy employed in this study was found to be a cost-effective means for collecting residential air quality data.

54 ENVIRONMENTAL SCIENCES↗
NASA NTRS1962

A Report on the Research and Technological Problems of Manned Rotating Spacecraft

A general research program to explore the technical problem of rotating manned spacecraft has been underway at the Langley Research Center for some time. A report summarizing progress on some of the more significant aspects of the work accomplished thus far was recently presented to a group of NASA personnel sharing interest in this work at a symposium held at the Langley Research Center from July 31 to August 1, 1962. The collection of papers contained in this report is a summary of the material presented. It is published in this form for the convenience of other organizations and individuals who may engaged in similar studies. It is emphasized that the investigations reported herein are exploratory in nature. There is no approved NASA program for the construction and operation of any such spacecraft.

ROTATION↗