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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 631 records · Page 35
All sourcesNASA NTRSDOE OSTI
DOE OSTI2018

Single-Molecule Interfacial Electron Transfer

Interfacial electron transfer (ET) plays an important role in many chemical and biological processes. Specifically, interfacial ET in TiO 2 -based systems is important to solar energy technology, catalysis, and environmental remediation technology. However, the microscopic mechanism of interfacial ET is not well understood with regard to atomic surface structure, molecular structure, bonding, orientation, and motion. In this project, we used two complementary methodologies; single-molecule fluorescence spectroscopy, and scanning-tunneling microscopy and spectroscopy (STM and STS) to address this scientific need. The goal of this project was to integrate these techniques and measure the molecular dependence of ET between adsorbed molecules and TiO 2 semiconductor surfaces and the ET induced reactions such as the splitting of water. The scanning probe techniques, STM and STS, are capable of providing the highest spatial resolution but not easily time-resolved data. Single-molecule fluorescence spectroscopy is capable of good time resolution but requires further development to match the spatial resolution of the STM. The integrated approach involving Peter Lu at Bowling Green State University (BGSU) and Wilson Ho at the University of California, Irvine (UC Irvine) produced methods for time and spatially resolved chemical imaging of interfacial electron transfer dynamics and photocatalytic reactions. An integral aspect of the joint research was a significant exchange of graduate students to work at the two institutions. This project bridged complementary approaches to investigate a set of common problems by working with the same molecules on a variety of solid surfaces, but using appropriate techniques to probe under ambient (BGSU) and ultrahigh vacuum (UCI) conditions. The molecular level understanding of the fundamental interfacial electron transfer processes obtained in this joint project will be important for developing efficient light harvesting, solar energy conversion, and broadly applicable to problems in interface chemistry and surface physics.

77 NANOSCIENCE AND NANOTECHNOLOGY↗
DOE OSTI2021

Understanding the electron-water interaction at the molecular level: Integrating theory and experiment in the cluster regime

In this final technical report, we summarize our major accomplishments resulting from a combined experimental-theoretical approach that exploits the unique properties of molecular clusters to elucidate how local interactions at the molecular level drive the macroscopic behavior of materials and chemical transformations in liquids. The specific targets for our efforts have need to elucidate how charged entities are accommodated by hydrogen-bonding networks and to establish how the behavior of room temperature ionic liquids can be tailored for specific chemical applications. Because of their central importance in aqueous electrolyte chemistry, we have placed particular emphasis understanding the accommodation of excess electrons and protons by water. These surprisingly complex fundamental electrical charges play a fundamental role in a wide range of chemical and biological processes, and yet even a qualitative picture of their speciation in water and at the air-water interface has proven elusive. The main experimental diagnostic in our approach is to measure and analyze vibrational spectra of temperature and composition controlled molecular aggregates that isolate and amplify the spectral markers for local interactions that are often obscured in measurement on bulk or interfacial water. Our combined experimental-theoretical program has led to a greatly enhanced understanding of the nature of excess electrons and protons in water and in the process developed new and powerful methods of chemical analysis that are currently in use across the chemical sciences.

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

Land Surface Modeling 2.0 for agricultural climate change impact assessments

Focus Area: This white paper addresses DOE AI4ESP focus area #2 by providing a sketch blueprint for a next generation, hybrid AI/process-based global Land Surface Modeling (LSM) framework to improve projections of climate change impacts on the land surface system including agriculture and the hydrological cycle. Science Challenge: Climate change impacts on agriculture are highly uncertain: -50% to +150% global production changes for major grains under high-end climate change, for example. The core challenge in land surface system predictability is the large gap between the scale at which the relevant biological processes act and the scale at which the risks need to be assessed. Conventional empirical and process-based modeling approaches are insufficient. A new multi-scale modeling paradigm which employs AI/ML to learn from new streams of remote sensing data and targeted ’gene-to-global’ simulations is needed.

54 ENVIRONMENTAL SCIENCES↗
DOE OSTI2023

Storage and Diffusion of Carbon and Nitrogen in Crustal Materials

Nitrogen is a primary constituent of Earth’s atmosphere and an essential component of many biological processes. Recent developments in understanding N incorporation into silicate minerals suggest that the solid earth and lithosphere could provide a substantial reservoir for the planetary N budget. Furthermore, determining the concentration and distribution of low abundances of N in silicates presents a significant challenge in microanalysis. We tested capabilities for high spatial resolution quantification of low levels of N using EPMA with the goal of developing standards to be used in coupled N and noble gas analyses of silicate minerals. We investigated the concentration and distribution of N in a suite of ammonium-bearing silicate minerals that reflect the dominant N-bearing phases of the lithosphere: tobelite, buddingtonite, ammonioleucite, tsaregorodtsevite, and hyalophane. These minerals form during NH 4 -rich alteration of K-bearing silicate minerals, and the bonding environment of N in each mineral is likely to differ based on crystal structure. Using an optimized analytical routine for N quantification enables sensitivity approaching 0.02 weight% N and high-resolution quantitative mapping of sub-micron variations in N contents.

58 GEOSCIENCES↗
DOE OSTI2022

Enhanced Atmospheric Research at the Multidisciplinary drifting Observatory for the Study of Arctic Climate (MOSAiC) (Final Report)

The Multidisciplinary drifting Observatory for the Study of Arctic Climate (MOSAiC) was an international scientific expedition into the central Arctic sea ice to study the changing atmosphere-ice-ocean system and its key physical, chemical, and biological processes in a way that will support improved understanding and modeling of Arctic climate. The US Department of Energy’s Atmospheric Research Measurement (ARM) Program operated its second ARM Mobile Facility (AMF2) as a major contribution to the expedition, and the Atmospheric System Research (ASR) program supported this project to maximize the success of DOE’s involvement in MOSAiC. This project has enabled the successful collection of data through support of field operations plans, in-field operational implementation, oversight of real-time data quality, and representing DOE’s interests within the broader international MOSAiC endeavor. The project has promoted scientific research by facilitating and leading a number of efforts to develop value-added products that will support research, including products related to aerosol properties, trace gases, cloud properties, snowfall, the surface energy budget, and a merged product designed for model assessment. These products and related analyses have also contributed to numerous scientific publications on related themes as well as direct model evaluation. Lastly, the project has engaged in a great deal of communication and outreach activities that help to publicize and promote both MOSAiC and DOE’s specific contribution to a broad audience that includes the scientific community, program management, policy makers, and the general public.

54 ENVIRONMENTAL SCIENCES↗
DOE OSTI2022

Reviewing MACCS Capabilities for Assessing Tritium Releases to the Environment

Tritium has a unique physical and chemical behavior which causes it to be highly mobile in the environment. As it behaves similarly to hydrogen in the environment, it may also be readily incorporated into the water cycle and other biological processes. These factors and other environmental transformations may also cause the oxidation of an elemental tritium release, resulting in a multiple order of magnitude increase in dose coefficient and radiotoxicity. While source term development and understanding for advanced reactors are still underway, tritium may be a radionuclide of interest. It is thus important to understand how tritium moves through the environment and how the MACCS accident consequence code handles acute tritium releases in an accident scenario. Additionally, existing tritium models may have functionalities that could inform updates to MACCS to handle tritium. In this report tritium transport is reviewed and existing tritium models are summarized in view of potential updates to MACCS.

11 NUCLEAR FUEL CYCLE AND FUEL MATERIALS↗
DOE OSTI2022

A Brief Overview of Reactive Transport Codes Used in CO 2 Applications

Reactive transport modelling consists of computational and numerical models that describe the coupled physical, chemical, mechanical, and biological processes interacting with each other over a broad range of spatial and temporal scales. This report reviews some of the reactive transport codes available in the literature for carbon dioxide (CO 2 ) applications and can assist the scientific community with the applicability of each code to solve a specific problem. Approaches implemented in these codes can be categorized in three groups: (i) continuum-scale, (ii) pore-scale, and (iii) hybrid-scale approaches. Theoretical foundations, numerical implementations, and application examples using the models are described. In the continuum approach, flow and transport are formulated in terms of a representative control volume of the medium and coupled with geochemical reactions. The medium is characterized by bulk parameters such as porosity, permeability, or reactive surface area. In the pore-scale approach, each point of space in the pore network is occupied by either a fluid or solid phase. The pore-scale approach requires an exact knowledge of the spatial and temporal phase distribution. In the hybrid-scale approach, media are described by multiple characteristic length-scales, with some regions using a pore-scale approach while others used a continuum approach.

01 COAL, LIGNITE, AND PEAT↗
DOE OSTI2017

Identification of Promising Remediation Technologies for Iodine in the UP-1 Operable Unit

Iodine-129 ( 129 I) generated at the U.S. Department of Energy (DOE) Hanford Site during plutonium production was released to the subsurface, resulting in several large, though dilute, plumes in the groundwater, including the plume in the 200-UP-1 operable unit (OU). Because 129 I is an uncommon contaminant, relevant remediation experience and scientific literature are limited, though work is under way to better understand the fate and transport of 129 I in the environment and the effectiveness of potential remediation technologies. The recent UP-1 Evaluation Plan for Iodine and report on the Conceptual Model of Iodine Behavior in the Subsurface at the Hanford Site provide information on the history of contamination in the 200-UP-1 OU, relevant controlling processes (biological and geochemical), risk, the conceptual site model, and potential remedial options, which provided a foundation for this study. In this study, available information was compiled and used to categorize potential remediation technologies, culminating in a recommendation of promising technologies for further evaluation. Approaches to improve the technical information about promising technologies are also recommended in this study so that a subsequent evaluation of potential remediation alternatives can assess these technologies.

12 MANAGEMENT OF RADIOACTIVE AND NON-RADIOACTIVE W↗
DOE OSTI2023

Support for the Second MOSAiC Science Conference support (Final Report)

This is a final report for a conference support project. The US Department of Energy’s Atmospheric System Research Program provided funding support for the Second MOSAiC Science Conference. MOSAiC is the Multidisciplinary drifting Observatory for the Study of Arctic Climate, a yearlong, international expedition into the rapidly changing Arctic sea ice. The expedition collected measurements of the atmosphere, sea ice, and ocean to study coupled physical, chemical, and biological processes. The Second MOSAiC Science Conference provided an important opportunity to bring the MOSAiC-interested community together to discuss MOSAiC data, scientific analyses, synthesis, modeling activities, and more. Overall, the conference was a significant success and has motivated and facilitated a great deal of ongoing research. The support provide by this project was used along with support from other agencies to implement a participant support program that enabled participation in the conference by a diverse collection of researchers from many different countries and disciplines, 60% of whom were female. Most of these participants were Early Career Researchers. Participation by these researchers was vital to the overall success of the conference and has helped to build leadership and research skills for the participants that will serve both themselves and the broader scientific community in the future.

54 ENVIRONMENTAL SCIENCES↗
DOE OSTI2025

Symbiosis Under Stress: How Arbuscular Mycorrhizal Fungi and Sorghum Metabolism Shift Under Drought

As drought becomes more prevalent across the globe, causing billions of dollars in agricultural loss, the need to maintain crop health and productivity grows increasingly important. Out of the most important cereal crops, sorghum shows the greatest drought tolerance, and plant-microbiome interactions at the root region play a crucial role in this. A key microbial player is arbuscular mycorrhizal fungi (AMF), which deliver water and nutrients to plants in exchange for nutrients they cannot produce. Using sorghum as a model plant, we combine mass-spectrometry based proteomics and metabolomics to examine metabolic interactions between sorghum roots and AMF under drought stress. With AMF, sorghum downregulated lipid-related biological processes involving fatty acid biosynthesis and metabolism. Similarly, amino acid biosynthesis pathways were also suppressed; however, metabolite analysis revealed increased amino acid abundance related to the phenylpropanoid pathway. AMF also enhanced the upregulation of drought-protective osmolytes, such as mannitol and sorbitol, suggesting their key role in mediating sorghum’s response to drought stress. AMF hyphal biomass also had an increased abundance of key osmoprotectant amino acids, indicating similar mechanisms of drought tolerance between sorghum and AMF. Metabolomic evidence also suggested that carbohydrate exchange between sorghum and AMF shifted under stress, indicating an altered exudation pattern likely driven by drought response. Our results demonstrate the molecular mechanisms through which AMF modulate sorghum metabolism under drought conditions, highlighting their promising role in improving crop resilience. By identifying the molecular targets that can improve drought tolerance, we can begin engineering drought resistant agricultural biosystems.

60 APPLIED LIFE SCIENCES↗
DOE OSTI2025

Oxidative Funneling of PVDC (CRADA Final Report)

Poly(vinylidene chloride) (PVDC) is a major polymer product from the Participant. PVDC-containing plastics are not commonly recycled. To overcome the challenges associated with recycling PVDC and multi-layer materials, we propose a tandem catalytic-biological process to convert PVDC containing waste to upcycled, tunable products such as polyhydroxyalkanoates (PHAs). PHAs are commercially relevant, biodegradable polymers that are useful in packaging, biomedical, and personal care applications. This technology, which the Contractor has named oxidative funneling (OxFun), uses a metal-promoted autoxidation step to depolymerize co-mingled polymers to a mixture of oxygenated compounds, which an engineered bacterium can funnel to a single bioproduct: here, medium chain length polyhydroxyalkanoates (mcl-PHAs). The proposed oxidation chemistry is amenable to inclusion of additional polymers, and the biocatalyst can be engineered to convert the deconstruction products to a variety of valuable chemicals, thus presenting a tunable system for both feedstock variability and target product. Pseudomonas putida KT2440 – a metabolically robust microbe that has been engineered and proven viable for upcycling deconstructed polystyrene (PS), high density polyethlene (HDPE), and polyethylene terephthalate (PET) – can be engineered with enzymes capable of de-chlorinating PVDC deconstruction products (e.g., 2,2-dichloroacetate) in addition to PE-derived substrates into mcl-PHAs.

36 MATERIALS SCIENCE↗
DOE OSTI2022

Discovering hydrothermalism from Afar: In Situ methane instrumentation and change-point detection for decision-making

Seafloor hydrothermalism plays a critical role in fundamental interactions between geochemical and biological processes in the deep ocean. A significant number of hydrothermal vents are hypothesized to exist, but many of these remain undiscovered due in part to the difficulty of detecting hydrothermalism using standard sensors on rosettes towed in the water column or robotic platforms performing surveys. Here, we use in situ methane sensors to complement standard sensing technology for hydrothermalism discovery and compare sensors on a towed rosette and an autonomous underwater vehicle (AUV) during a 17 km long transect in the Northern Guaymas Basin in the Gulf of California. This transect spatially intersected with a known hydrothermally active venting site. These data show that methane signalled possible hydrothermal-activity 1.5–3 km laterally (100–150 m vertically) from a known vent. Methane as a signal for hydrothermalism performed similarly to standard turbidity sensors (plume detection 2.2–3.3 km from reference source), and more sensitively and clearly than temperature, salinity, and oxygen instruments which readily respond to physical mixing in background seawater. We additionally introduce change-point detection algorithms—streaming cross-correlation and regime identification—as a means of real-time hydrothermalism discovery and discuss related data supervision technologies that could be used in planning, executing, and monitoring explorative surveys for hydrothermalism.

58 GEOSCIENCES↗
DOE OSTI2022

Expanding the Biological Role of Lipo-Chitooligosaccharides and Chitooligosaccharides in Laccaria bicolor Growth and Development

The role of lipo-chitooligosaccharides (LCOs) as signaling molecules that mediate the establishment of symbiotic relationships between fungi and plants is being redefined. New evidence suggests that the production of these molecular signals may be more of a common trait in fungi than what was previously thought. LCOs affect different aspects of growth and development in fungi. For the ectomycorrhizal forming fungi, Laccaria bicolor, the production and effects of LCOs have always been studied with a symbiotic plant partner; however, there is still no scientific evidence describing the effects that these molecules have on this organism. Here, we explored the physiological, molecular, and metabolomic changes in L. bicolor when grown in the presence of exogenous sulfated and non-sulfated LCOs, as well as the chitooligomers, chitotetraose (CO 4 ), and chitooctaose (CO8). Physiological data from 21 days post-induction showed reduced fungal growth in response to CO and LCO treatments compared to solvent controls. The underlying molecular changes were interrogated by proteomics, which revealed substantial alterations to biological processes related to growth and development. Moreover, metabolite data showed that LCOs and COs caused a downregulation of organic acids, sugars, and fatty acids. At the same time, exposure to LCOs resulted in the overproduction of lactic acid in L. bicolor. Altogether, these results suggest that these signals might be fungistatic compounds and contribute to current research efforts investigating the emerging impacts of these molecules on fungal growth and development.

36 MATERIALS SCIENCE↗
DOE OSTI2019

Communicate and Fuse: How Filamentous Fungi Establish and Maintain an Interconnected Mycelial Network

Cell-to-cell communication and cell fusion are fundamental biological processes across the tree of life. Survival is often dependent upon being able to identify nearby individuals and respond appropriately. Communication between genetically different individuals allows for the identification of potential mating partners, symbionts, prey, or predators. In contrast, communication between genetically similar (or identical) individuals is important for mediating the development of multicellular organisms or for coordinating density-dependent behaviors (i.e., quorum sensing). This review describes the molecular and genetic mechanisms that mediate cell-to-cell communication and cell fusion between cells of Ascomycete filamentous fungi, with a focus on Neurospora crassa . Filamentous fungi exist as a multicellular, multinuclear network of hyphae, and communication-mediated cell fusion is an important aspect of colony development at each stage of the life cycle. Asexual spore germination occurs in a density-dependent manner. Germinated spores (germlings) avoid cells that are genetically different at specific loci, while chemotropically engaging with cells that share identity at these recognition loci. Germlings with genetic identity at recognition loci undergo cell fusion when in close proximity, a fitness attribute that contributes to more rapid colony establishment. Communication and cell fusion also occur between hyphae in a colony, which are important for reinforcing colony architecture and supporting the development of complex structures such as aerial hyphae and sexual reproductive structures. Over 70 genes have been identified in filamentous fungi (primarily N. crassa ) that are involved in kind recognition, chemotropic interactions, and cell fusion. While the hypothetical signal(s) and receptor(s) remain to be described, a dynamic molecular signaling network that regulates cell-cell interactions has been revealed, including two conserved MAP-Kinase cascades, a conserved STRIPAK complex, transcription factors, a NOX complex involved in the generation of reactive oxygen species, cell-integrity sensors, actin, components of the secretory pathway, and several other proteins. Together these pathways facilitate the integration of extracellular signals, direct polarized growth, and initiate a transcriptional program that reinforces signaling and prepares cells for downstream processes, such as membrane merger, cell fusion and adaptation to heterokaryon formation.

Microbiology↗
DOE OSTI2022

Multi-omic characterization of bifunctional peroxidase 4-coumarate 3-hydroxylase knockdown in Brachypodium distachyon provides insights into lignin modification-associated pleiotropic effects

A bifunctional peroxidase enzyme, 4-coumarate 3-hydroxylase (C3H/APX), provides a parallel route to the shikimate shunt pathway for the conversion of 4-coumarate to caffeate in the early steps of lignin biosynthesis. Knockdown of C3H/APX (C3H/APX-KD) expression has been shown to reduce the lignin content in Brachypodium distachyon . However, like many other lignin-modified plants, C3H/APX-KDs show unpredictable pleiotropic phenotypes, including stunted growth, delayed senescence, and reduced seed yield. A system-wide level understanding of altered biological processes in lignin-modified plants can help pinpoint the lignin-modification associated growth defects to benefit future studies aiming to negate the yield penalty. Here, a multi-omic approach was used to characterize molecular changes resulting from C3H/APX-KD associated lignin modification and negative growth phenotype in Brachypodium distachyon . Our findings demonstrate that C3H/APX knockdown in Brachypodium stems substantially alters the abundance of enzymes implicated in the phenylpropanoid biosynthetic pathway and disrupt cellular redox homeostasis. Moreover, it elicits plant defense responses associated with intracellular kinases and phytohormone-based signaling to facilitate growth-defense trade-offs. A deeper understanding along with potential targets to mitigate the pleiotropic phenotypes identified in this study could aid to increase the economic feasibility of lignocellulosic biofuel production.

36 MATERIALS SCIENCE↗
DOE OSTI2025

Roles for epigenetics in wood formation and stress response intrees–from basic biology to forest management

Annual model and crop species have been the subject of most epigenetic studies for plants. In contrast to annuals, forest trees persist on natural landscapes and experience environmental variation within and across seasons, years, and decades or even centuries. Most forest trees species are undomesticated and typically grown on variable landscapes with no irrigation or application of agricultural chemicals. Forest trees must thus rely on their inherent ability to alter growth and physiology to mitigate the effects of changing abiotic and biotic stressors. Like other plants, trees have mechanisms encoded in their genomic DNA sequence that can respond directly to stress events such as drought or heat. Hypothetically, it would be highly advantageous to join these mechanisms with a dynamic “memory” of past exposure to stress. It is now well established that annual model and crop plants can establish epigenetic-based memory of stress events that support more rapid and robust response to stress in the future. Here, evidence is discussed for epigenetic regulation and “memory” in two fundamental biological processes in trees, wood formation and abiotic stress response. Wood formation is an ideal trait for epigenetic research in trees, as wood formation is highly responsive to environmental conditions and includes multiple rapid developmental changes as cells adopt distinct fates within complex tissues. This is followed by a discussion of research needs that would provide the foundation for new epigenetic applications for forestry.

Groover, Andrew↗
DOE OSTI2021

Groundwater Inflows to the Columbia River Along the Hanford Reach and Associated Nitrate Concentrations

Healthy river ecosystems require the interaction of many physical and biological processes to maintain their status. One physical process supporting biogeochemical cycling is hydrologic exchange (i.e., hydrologic exchange flows, HEFs) between relatively fast-flowing channel waters and slower-flowing surface and subsurface waters (lateral and vertical). Land uses adjacent to rivers have the potential to alter the water quality of off-channel surface and subsurface waters, and HEFs therefore have the potential to deliver solutes associated with river-adjacent land uses to rivers. HEFs can be nonpoint, diffuse sources of pollution, making the ultimate pollution source difficult to identify, especially in large rivers. Here, we seek to identify HEFs in the Columbia River near Richland, WA by looking for anomalies in temperature and electrical conductivity (EC) along the bed of the river in February, June, July, August, and November 2018. These are ultimately the “ends” of HEFs as they are locations of subsurface inflow to the river. We found these anomalies to be a combination of warmer or colder and higher (but not lower) EC than river water. We identified a majority of warm anomalies in February and July 2018, and majority cold anomalies in June, August, and November 2018. High-EC anomalies were found mostly in February, August, and November. Combined, we observe a shift from warm, high EC anomalies dominating in February to equivalent EC, warm anomalies in June, to equivalent EC, cool anomalies dominating July. In August, we also measured dissolved nitrate ($NO^-_3$) in-situ to determine whether anomalies were associated with increased $NO^-_3$ loading to the river, especially along the eastern shoreline, which is dominated by agricultural land use. Inflows along the eastern shoreline have greater concentrations of nitrate than river water (up to 10 mg $N–NO^-_3$/L). This research demonstrates that HEFs are temporally and spatially dynamic transferring heat and solutes to rivers.

54 ENVIRONMENTAL SCIENCES↗