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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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All sourcesNASA NTRSDOE OSTI
DOE OSTI2021

Correlating Li-Ion Solvation Structures and Electrode Potential Temperature Coefficients

Temperature coefficients (TCs) for either electrochemical cell voltages or potentials of individual electrodes have been widely utilized to study the thermal safety and cathode/anode phase changes of lithium (Li)-ion batteries. However, the fundamental significance of single electrode potential TCs is little known. Here, we discover that the Li-ion desolvation process during Li deposition/intercalation is accompanied by considerable entropy change, which significantly contributes to the measured Li/Li + electrode potential TCs. To explore this phenomenon, we compare the Li/Li + electrode potential TCs in a series of electrolyte formulations, where the interaction between Li-ion and solvent molecules occurs at varying strength as a function of both solvent and anion species as well as salt concentrations. As a result, we establish correlations between electrode potential TCs and Li-ion solvation structures and further verify them by ab initio molecular dynamics simulations. We show that measurements of Li/Li + electrode potential TCs provide valuable knowledge regarding the Li-ion solvation environments and could serve as a screening tool when designing future electrolytes for Li-ion/Li metal batteries.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗
DOE OSTI2022

Critical Evaluation of Potentiostatic Holds as Accelerated Predictors of Capacity Fade during Calendar Aging

Li-ion batteries will lose both capacity and power over time due to calendar aging caused by slow parasitic processes that consume Li + ions. Studying and mitigating these processes is traditionally an equally slow venture, which is especially taxing for the validation of new active materials and electrolyte additives. Here, we evaluate whether potentiostatic holds can be used to accelerate the diagnosis of Li + loss during calendar aging. The technique is based on the idea that, under the right conditions, the current measured as the cell voltage is held constant can be correlated with the instantaneous rate of side reactions. Thus, in principle, these measurements could capture the rate of capacity fade in real time . In practice, we show that this method is incapable of quantitatively forecasting calendar aging trends. Instead, our study demonstrates that potentiostatic holds can be applied for initial qualitative screening of systems that exhibit promising long-term stability, which can be useful to shrink the parameter space for calendar aging studies. By facilitating the identification of improved formulations, this approach can help accelerate innovation in the battery industry.

25 ENERGY STORAGE↗
DOE OSTI2023

Developing a Carbon Negative Biorefinery for Organic Waste Valorization

Production of bio-based chemicals have become increasingly attractive as efforts to meet carbon neutrality goals expand. Diverse organic waste feedstocks can be valorized via arrested anaerobic digestion and chain elongation to produce important key intermediates, such as medium chain carboxylic acids. Our work aims to develop a carbon negative biorefinery that funnels multiple organic waste feedstocks into a chemically consistent stream of carboxylic acids that are then upgraded to exemplary carbon negative products. The pairing of a hydrolysis reactor with a chain elongation reactor will allow each biological step to be optimized to improve the ability to valorize a variety of organic waste streams. Specifically, this work has so far been aimed at screening for potential chain elongating organisms to produce VFAs and MCCAs of interest. Four chain elongating organisms were tested for their chain elongation potential with diverse single and mixed substrates. So far, Megasphaera elsdenii and Actinobacillus succinogenes have been tested to determine potential differences in titer as well as product speciation due to variations in pH. To do this, each organism was tested under 3 different substrate combinations with pH maintained at either 5.5, 6, or 7. With better understanding of their metabolic needs and optimal operating conditions, these chain elongating organisms could provide a valuable option to facilitate the chain elongation necessary to produce precursor molecules. In addition to optimizing the bioconversion steps, downstream processing of carboxylic acids is also a key component for the overall feasibility of the process. Our group previously developed a downstream in-situ product recovery (ISPR) process for continuously recovering bio-based carboxylic acids from fermentation broth. The ISPR includes: (i) a solid-liquid separation as a cell retention device, (ii) a liquid-liquid extraction (LLE) to selectively extract the desired bio-based acids, and (iii) a distillation to obtain the neat product. The integrated process was demonstrated at bench-scale and is now scaled up for pilot-scale operations. A more cost-efficient membrane-based emulsion separation is introduced for LLE in downstream separation process with greatly promoted mass transfer, leading to -2800 times smaller needed membrane area than membrane contactors to achieve the same butyric acid extraction rate.

BIOMASS FUELS↗
DOE OSTI2021

An ensemble method for nuclei detection of overlapping cervical cells

The Pap test is a preventive approach that requires specialized and labor-intensive examination of cytological preparations to track potentially cancerous cells from the internal and external cervix surface. A cytopathologist must analyze many microscopic fields while screening for abnormal cells. Therefore the expectation is that a support decision system could assist with screening the most relevant cells, for example, by identifying sub-cellular abnormalities, such as changes in the nuclei features. Here, this work proposes a computational method for cervical nuclei detection aimed to reduce the workload of cytopathologists.

97 MATHEMATICS AND COMPUTING↗
DOE OSTI2024

High-Resolution Tandem Mass Spectrometry-Based Analysis of Model Lignin–Iron Complexes: Novel Pipeline and Complex Structures

Understanding the chemical nature of soil organic carbon (SOC) with great potential to bind iron (Fe) minerals is critical for predicting the stability of SOC. Organic ligands of Fe are among the top candidates for SOCs able to strongly sorb on Fe minerals, but most of them are still molecularly uncharacterized. To shed insights into the chemical nature of organic ligands in soil and their fate, this study developed a protocol for identifying organic ligands using ultrahigh-performance liquid chromatography-high-resolution tandem mass spectrometry (UHPLC-HRMS/MS) and metabolomic tools. The protocol was used for investigating the Fe complexes formed by model compounds of lignin-derived organic ligands, namely, caffeic acid (CA), p-coumaric acid (CMA), vanillin (VNL), and cinnamic acid (CNA). Isotopologue analysis of 54/56 Fe was used to screen out the potential UHPLC-HRMS (m/z) features for complexes formed between organic ligands and Fe, with multiple features captured for CA, CMA, VNL, and CNA when 35/37 Cl isotopologue analysis was used as supplementary evidence for the complexes with Cl. MS/MS spectra, fragment analysis, and structure prediction with SIRIUS were used to annotate the structures of mono/bidentate mono/biligand complexes. The analysis determined the structures of monodentate and bidentate complexes of FeL x Cl y (L: organic ligand, x = 1–4, y = 0–3) formed by model compounds. The protocol developed in this study can be used to identify unknown organic ligands occurring in complex environmental samples and shed light on the molecular-level processes governing the stability of the SOC.

54 ENVIRONMENTAL SCIENCES↗
NASA NTRS1999

NASA/NOAA: Earth Science Electronic Theater 1999

The Electronic Theater (E-theater) presents visualizations which span the period from the original Suomi/Hasler animations of the first ATS-1 GEO weather satellite images in 1966 to the latest 1999 NASA Earth Science Vision for the next 25 years. Hot off the SGI-Onyx Graphics-Supercomputer are NASA's visualizations of Hurricanes Mitch, Georges, Fran and Linda. These storms have been recently featured on the covers of National Geographic, Time, Newsweek and Popular Science. Highlights will be shown from the NASA hurricane visualization resource video tape that has been used repeatedly this season on National and International network TV. Results will be presented from a new paper on automatic wind measurements in Hurricane Luis from 1-min GOES images that appeared in the November BAMS. The visualizations are produced by the NASA Goddard Visualization and Analysis Laboratory (VAL/912), and Scientific Visualization Studio (SVS/930), as well as other Goddard and NASA groups using NASA, NOAA, ESA, and NASDA Earth science datasets. Visualizations will be shown from the Earth Science E-Theater 1999 recently presented in Tokyo, Paris, Munich, Sydney, Melbourne, Honolulu, Washington, New York, and Dallas. The presentation Jan 11-14 at the AMS meeting in Dallas used a 4-CPU SGI/CRAY Onyx Infinite Reality Super Graphics Workstation with 8 GB RAM and a Terabyte Disk at 3840 X 1024 resolution with triple synchronized BarcoReality 9200 projectors on a 60ft wide screen. Visualizations will also be featured from the new Earth Today Exhibit which was opened by Vice President Gore on July 2, 1998 at the Smithsonian Air & Space museum in Washington, as well as those presented for possible use at the American Museum of Natural History (NYC), Disney EPCOT, and other venues. New methods are demonstrated for visualizing, interpreting, comparing, organizing and analyzing immense HyperImage remote sensing datasets and three dimensional numerical model results. We call the data from many new Earth sensing satellites, HyperImage datasets, because they have such high resolution in the spectral, temporal, spatial, and dynamic range domains. The traditional numerical spreadsheet paradigm has been extended to develop a scientific visualization approach for processing HyperImage datasets and 3D model results interactively. The advantages of extending the powerful spreadsheet style of computation to multiple sets of images and organizing image processing were demonstrated using the Distributed image SpreadSheet (DISS). The DISS is being used as a high performance testbed Next Generation Internet (NGI) VisAnalysis of: 1) El Nino SSTs and NDVI response 2) Latest GOES 10 5-min rapid Scans of 26 day 5000 frame movie of March & April '98 weather and tornadic storms 3) TRMM rainfall and lightning 4)GOES 9 satellite images/winds and NOAA aircraft radar of hurricane Luis, 5) lightning detector data merged with GOES image sequences, 6) Japanese GMS, TRMM, & ADEOS data 7) Chinese FY2 data 8) Meteosat & ERS/ATSR data 9) synchronized manipulation of multiple 3D numerical model views; and others will be illustrated. The Image SpreadSheet has been highly successful in producing Earth science visualizations for public outreach. Many of these visualizations have been widely disseminated through the world wide web pages of the HPCC/LTP/RSD program which can be found at http://rsd.gsfc.nasa.gov/rsd The one min interval animations of Hurricane Luis on ABC Nightline and the color perspective rendering of Hurricane Fran published by TIME, LIFE, Newsweek, Popular Science, National Geographic, Scientific American, and the "Weekly Reader" are some of the examples which will be shown.

Hasler, A. Fritz↗
NASA NTRS1999

NASA/NOAA: Earth Science Electronic Theater 1999. Earth Science Observations, Analysis and Visualization: Roots in the 60s - Vision for the Next Millennium

The Etheater presents visualizations which span the period from the original Suomi/Hasler animations of the first ATS-1 GEO weather satellite images in 1966, to the latest 1999 NASA Earth Science Vision for the next 25 years. Hot off the SGI-Onyx Graphics-Supercomputer are NASA''s visualizations of Hurricanes Mitch, Georges, Fran and Linda. These storms have been recently featured on the covers of National Geographic, Time, Newsweek and Popular Science. Highlights will be shown from the NASA hurricane visualization resource video tape that has been used repeatedly this season on National and International network TV. Results will be presented from a new paper on automatic wind measurements in Hurricane Luis from 1-min GOES images that appeared in the November BAMS. The visualizations are produced by the NASA Goddard Visualization & Analysis Laboratory, and Scientific Visualization Studio, as well as other Goddard and NASA groups using NASA, NOAA, ESA, and NASDA Earth science datasets. Visualizations will be shown from the Earth Science ETheater 1999 recently presented in Tokyo, Paris, Munich, Sydney, Melbourne, Honolulu, Washington, New York, and Dallas. The presentation Jan 11-14 at the AMS meeting in Dallas used a 4-CPU SGI/CRAY Onyx Infinite Reality Super Graphics Workstation with 8 GB RAM and a Terabyte Disk at 3840 X 1024 resolution with triple synchronized BarcoReality 9200 projectors on a 60ft wide screen. Visualizations will also be featured from the new Earth Today Exhibit which was opened by Vice President Gore on July 2, 1998 at the Smithsonian Air & Space Museum in Washington, as well as those presented for possible use at the American Museum of Natural History (NYC), Disney EPCOT, and other venues. New methods are demonstrated for visualizing, interpreting, comparing, organizing and analyzing immense HyperImage remote sensing datasets and three dimensional numerical model results. We call the data from many new Earth sensing satellites, HyperImage datasets, because they have such high resolution in the spectral, temporal, spatial, and dynamic range domains. The traditional numerical spreadsheet paradigm has been extended to develop a scientific visualization approach for processing HyperImage datasets and 3D model results interactively. The advantages of extending the powerful spreadsheet style of computation to multiple sets of images and organizing image processing were demonstrated using the Distributed Image SpreadSheet (DISS). The DISS is being used as a high performance testbed Next Generation Internet (NGI) VisAnalysis of: 1) El Nino SSTs and NDVI response 2) Latest GOES 10 5-min rapid Scans of 26 day 5000 frame movie of March & April 198 weather and tornadic storms 3) TRMM rainfall and lightning 4)GOES 9 satellite images/winds and NOAA aircraft radar of hurricane Luis, 5) lightning detector data merged with GOES image sequences, 6) Japanese GMS, TRMM, & ADEOS data 7) Chinese FY2 data 8) Meteosat & ERS/ATSR data 9) synchronized manipulation of multiple 3D numerical model views; etc. will be illustrated. The Image SpreadSheet has been highly successful in producing Earth science visualizations for public outreach.

Hasler, A. Fritz↗
NASA NTRS1998

Earth Science Multimedia Theater

The presentation will begin with the latest 1998 NASA Earth Science Vision for the next 25 years. A compilation of the 10 days of animations of Hurricane Georges which were supplied daily on NASA to Network television will be shown. NASA's visualizations of Hurricane Bonnie which appeared in the Sept 7 1998 issue of TIME magazine. Highlights will be shown from the NASA hurricane visualization resource video tape that has been used repeatedly this season on network TV. Results will be presented from a new paper on automatic wind measurements in Hurricane Luis from 1 -min GOES images that will appear in the October BAMS. The visualizations are produced by the Goddard Visualization & Analysis Laboratory, and Scientific Visualization Studio, as well as other Goddard and NASA groups using NASA, NOAA, ESA, and NASDA Earth science datasets. Visualizations will be shown from the "Digital-HyperRes-Panorama" Earth Science ETheater'98 recently presented in Tokyo, Paris and Phoenix. The presentation in Paris used a SGI/CRAY Onyx Infinite Reality Super Graphics Workstation at 2560 X 1024 resolution with dual synchronized video Epson 71 00 projectors on a 20ft wide screen. Earth Science Electronic Theater '999 is being prepared for a December 1 st showing at NASA HQ in Washington and January presentation at the AMS meetings in Dallas. The 1999 version of the Etheater will be triple wide with at resolution of 3840 X 1024 on a 60 ft wide screen. Visualizations will also be featured from the new Earth Today Exhibit which was opened by Vice President Gore on July 2, 1998 at the Smithsonian Air & Space Museum in Washington, as well as those presented for possible use at the American Museum of Natural History (NYC), Disney EPCOT, and other venues. New methods are demonstrated for visualizing, interpreting, comparing, organizing and analyzing immense Hyperimage remote sensing datasets and three dimensional numerical model results. We call the data from many new Earth sensing satellites, Hyperimage datasets, because they have such high resolution in the spectral, temporal, spatial, and dynamic range domains. The traditional numerical spreadsheet paradigm has been extended to develop a scientific visualization approach for processing Hyperimage datasets and 3D model results interactively. The advantages of extending the powerful spreadsheet style of computation to multiple sets of images and organizing image processing were demonstrated using the Distributed Image SpreadSheet (DISS).

Hasler, A. F.↗
NASA NTRS2014

Gene Expression Changes in Mouse Intestinal Tissue Following Whole-Body Proton or Gamma-Irradiation

Crew members face potential consequences following exposure to the space radiation environment including acute radiation syndrome and cancer. The space radiation environment is ample with protons, and numerous studies have been devoted to the understanding of the health consequences of proton exposures. In this project, C57BL/6 mice underwent whole-body exposure to 250 MeV of protons at doses of 0, 0.1, 0.5, 2 and 6 Gy and the gastrointestinal (GI) tract of each animal was dissected four hours post-irradiation. Standard H&E staining methods to screen for morphologic changes in the tissue showed an increase in apoptotic lesions for even the lowest dose of 0.1 Gy, and the percentage of apoptotic cells increased with increasing dose. Results of gene expression changes showed consistent up- or down- regulation, up to 10 fold, of a number of genes across exposure doses that may play a role in proton-induced oxidative stress including Gpx2. A separate study in C57BL/6 mice using the same four hour time point but whole-body gamma-irradiation showed damage to the small intestine with lesions appearing at the smallest dose of 0.05 Gy and increasing with increasing absorbed dose. Expressions of genes associated with oxidative stress processes were analyzed at four hours and twenty-four hours after exposure to gamma rays. We saw a much greater number of genes with significant up- or down-regulation twenty-four hours post-exposure as compared to the four hour time point. At both four hours and twenty-four hours post-exposure, Duox1 and Mpo underwent up-regulation for the highest dose of 6 Gy. Both protons and gamma rays lead to significant variation in gene expressions and these changes may provide insight into the mechanism of injury seen in the GI tract following radiation exposure. We have also completed experiments using a BALB/c mouse model undergoing whole-body exposure to protons. Doses of 0, 0.1, 1 and 2 Gy were used and results will be compared to the work mentioned above. The most striking result preliminarily is that both strains of mice show a greater number of genes changing at the lowest dose of exposure for their respective pathways.

Purgason, Ashley↗
DOE OSTI2022

PDFDataExtractor: A Tool for Reading Scientific Text and Interpreting Metadata from the Typeset Literature in the Portable Document Format

The layout of portable document format (PDF) files is constant to any screen, and the metadata therein are latent, compared to mark-up languages such as HTML and XML. No semantic tags are usually provided, and a PDF file is not designed to be edited or its data interpreted by software. However, data held in PDF files need to be extracted in order to comply with opensource data requirements that are now government-regulated. In the chemical domain, related chemical and property data also need to be found, and their correlations need to be exploited to enable data science in areas such as data-driven materials discovery. Such relationships may be realized using text-mining software such as the “chemistry-aware” natural-language-processing tool, ChemDataExtractor; however, this tool has limited data-extraction capabilities from PDF files. This study presents the PDFDataExtractor tool, which can act as a plug-in to ChemDataExtractor. It outperforms other PDF-extraction tools for the chemical literature by coupling its functionalities to the chemical-named entityrecognition capabilities of ChemDataExtractor. The intrinsic PDF-reading abilities of ChemDataExtractor are much improved. The system features a template-based architecture. This enables semantic information to be extracted from the PDF files of scientific articles in order to reconstruct the logical structure of articles. While other existing PDF-extracting tools focus on quantity mining, this template-based system is more focused on quality mining on different layouts. PDFDataExtractor outputs information in JSON and plain text, including the metadata of a PDF file, such as paper title, authors, affiliation, email, abstract, keywords, journal, year, document object identifier (DOI), reference, and issue number. With a self-created evaluation article set, PDFDataExtractor achieved promising precision for all key assessed metadata areas of the document text.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗
NASA NTRS1987

The desktop interface in intelligent tutoring systems

The interface between an Intelligent Tutoring System (ITS) and the person being tutored is critical to the success of the learning process. If the interface to the ITS is confusing or non-supportive of the tutored domain, the effectiveness of the instruction will be diminished or lost entirely. Consequently, the interface to an ITS should be highly integrated with the domain to provide a robust and semantically rich learning environment. In building an ITS for ZetaLISP on a LISP Machine, a Desktop Interface was designed to support a programming learning environment. Using the bitmapped display, windows, and mouse, three desktops were designed to support self-study and tutoring of ZetaLISP. Through organization, well-defined boundaries, and domain support facilities, the desktops provide substantial flexibility and power for the student and facilitate learning ZetaLISP programming while screening the student from the complex LISP Machine environment. The student can concentrate on learning ZetaLISP programming and not on how to operate the interface or a LISP Machine.

Baudendistel, Stephen↗
NASA NTRS2002

Regulatory and Technical Issues Concerning the Detection and Treatment of NDMA-Contaminated Groundwater at NASA WSTF

The National Aeronautics and Space Administration (NASA) White Sands Test Facility (WSTF) was established in 1963 primarily to provide rocket engine testing services for several NASA programs. The groundwater underlying the site has been contaminated as a result of historical operations. Groundwater contaminants include several volatile organic compounds (VOCs) and two semi-volatile compounds: N-nitrosodimethylamine (NDMA) and N-nitrodimethylamine (DMN). This paper discusses some of the technical, analytical, regulatory, and health risk issues associated with the contaminant plume. The plume has moved approximately 2.5 miles downgradient of the facility industrial boundary, with evidence of continued migration. As a result, NASA has proposed a pump and treat system using air strippers and ultraviolet (UV) oxidation to stabilize future movement of the contaminant plume. The system has been designed to treat 1,076 gallons (4,073 liters) per minute, with provisions for future expansion. The UV oxidation process was selected to treat NDMA-contaminated groundwater based on successes at other NDMA-contaminated sites. Bench- and pilot-scale testing of WSTF groundwater confirmed the ability of UV oxidation to destroy NDMA and generated sufficient data to design the proposed full-scale treatment system. NDMA is acutely toxic and is a probable human carcinogen. EPA-recommended health risk criteria for the residential consumption of NDMA/DMN-contaminated groundwater was used to determine that a 1.0 x 10(exp -6) excess cancer risk corresponds to 1.7 parts per trillion (ppt). EPA analytical methods are unable to detect NDMA and DMN in the low ppt range. EPA's current Appendix IX analytical method used to screen for NDMA, Method 8270, can detect NDMA only at levels that are orders of magnitude greater than the recommended health risk level. Additionally, EPA Method 607, the most sensitive EPA approved method, has a detection limit of 150 ppt. This corresponds to an excess cancer risk of 9.0 x 10(exp -5), which exceeds the State of New Mexico's water quality standard of a cancer risk less than 1 x 10(exp -5). The treatment system has been engineered to treat contaminated groundwater to levels significantly below the New Mexico standard. However, the inability of EPA-approved analytical methods to detect NDMA and DMN at low ppt levels, and to provide verification of compliance with the 1 x 10(exp -5) cancer risk, introduces a notable risk to the long-term operation of the system. WSTF has been working with Southwest Research Institute to develop a non-EPA analytical method that can achieve a reporting limit of 1 ppt, which corresponds to an excess cancer risk of 7.6 x 10(exp -7). WSTF is currently developing a proposal to obtain approval from the New Mexico Environment Department (NMED) of this non-EPA method.

Wiebe, D. T.↗
DOE OSTI2024

Osmosensor-mediated control of Ca 2+ spiking in pollen germination

Higher plants survive terrestrial water deficiency and fluctuation by arresting cellular activities (dehydration) and resuscitating processes (rehydration). However, how plants monitor water availability during rehydration is unknown. Although increases in hypo-osmolarity-induced cytosolic Ca 2+ concentration (HOSCA) have long been postulated to be the mechanism for sensing hypo-osmolarity in rehydration, the molecular basis remains unknown. Because osmolarity triggers membrane tension and the osmosensing specificity of osmosensing channels can only be determined in vivo, these channels have been classified as a subtype of mechanosensors. Here we identify bona fide cell surface hypo-osmosensors in Arabidopsis and find that pollen Ca 2+ spiking is controlled directly by water through these hypo-osmosensors—that is, Ca 2+ spiking is the second messenger for water status. We developed a functional expression screen in Escherichia coli for hypo-osmosensitive channels and identified OSCA2.1, a member of the hyperosmolarity-gated calcium-permeable channel (OSCA) family of proteins. We screened single and high-order OSCA mutants, and observed that the osca2.1/osca2.2 double-knockout mutant was impaired in pollen germination and HOSCA. OSCA2.1 and OSCA2.2 function as hypo-osmosensitive Ca 2+ -permeable channels in planta and in HEK293 cells. Decreasing osmolarity of the medium enhanced pollen Ca 2+ oscillations, which were mediated by OSCA2.1 and OSCA2.2 and required for germination. OSCA2.1 and OSCA2.2 convert extracellular water status into Ca 2+ spiking in pollen and may serve as essential hypo-osmosensors for tracking rehydration in plants.

59 BASIC BIOLOGICAL SCIENCES↗
DOE OSTI2023

Classical Swine Fever Virus Structural Glycoprotein E2 Interacts with Host Protein ACADM during the Virus Infectious Cycle

The E2 glycoprotein is one of the four structural proteins of the classical swine fever virus (CSFV) particle. E2 has been shown to be involved in many virus functions, including adsorption to host cells, virus virulence and interaction with several host proteins. Using a yeast two-hybrid screen, we have previously shown that the CSFV E2 specifically interacts with swine host protein medium-chain-specific acyl-Coenzyme A dehydrogenase (ACADM), an enzyme that catalyzes the initial step of the mitochondrial fatty acid beta-oxidation pathway. Here, we show that interaction between ACADM and E2 also happens in swine cells infected with CSFV using two different procedures: coimmunoprecipitation and a proximity ligation assay (PLA). In addition, the amino acid residues in E2 critically mediating the interaction with ACADM, M49 and P130 were identified via a reverse yeast two-hybrid screen using an expression library composed of randomly mutated versions of E2. A recombinant CSFV, E2ΔACADMv, harboring substitutions at residues M49I and P130Q in E2, was developed via reverse genomics from the highly virulent Brescia isolate. E2ΔACADMv was shown to have the same kinetics growth in swine primary macrophages and SK6 cell cultures as the parental Brescia strain. Similarly, E2ΔACADMv demonstrated a similar level of virulence when inoculated to domestic pigs as the parental Brescia. Animals intranasally inoculated with 10 5 TCID 50 developed a lethal form of clinical disease with virological and hematological kinetics changes undistinguishable from those produced by the parental strain. Therefore, interaction between CSFV E2 and host ACADM is not critically involved in the processes of virus replication and disease production.

60 APPLIED LIFE SCIENCES↗
NASA NTRS1997

The Diagnostics of the External Plasma for the Plasma Rocket

Three regions of plasma temperature/energy are being investigated to understand fully the behavior of the plasma created by the propulsion device and the operation of the RPA. Each type of plasma has a RPA associated with it; i.e. a thermal RPA, a collimated RPA, and a high temperature RPA. Through the process of developing the thermal and collimated RPAs, the proper knowledge and experience has been gained to not only design a high temperature RPA for the plasma rocket, but to understand its operation, results, and uncertainty. After completing a literature search for, reading published papers on, and discussing the operation of the RPA with electric propulsion researchers, I applied the knowledge gained to the development of a RPA for thermal plasma. A design of a thermal RPA was made which compensates for a large Debye length and low ionized plasma. From this design a thermal RPA was constructed. It consists of an outer stainless steel casing, a phenolic insulator (outgases slightly), and stainless steel mesh for the voltage screens. From the experience and knowledge gained in the development of the thermal RPA, a RPA for collimated plasma was developed. A collimated RPA has been designed and constructed. It compensate for a smaller Debye length and much higher ionization than that existing in the thermal plasma. It is 17% of the size of the thermal RPA. A stainless steel casing shields the detector from impinging electrons and ions. An insulating material, epoxy resin, was utilized which has a negligible outgassing. This material can be molded in styrofoam and machined quite nicely. It is capable of withstanding moderately high temperatures. Attached to this resin insulator are inconel screens attached by silver plated copper wire to a voltage supply. All the work on the RPAs and thermal ion source, I performed in the University of Alabama in Huntsville's (UAH) engineering machine shop.

Karr, Gerald R.↗
NASA NTRS2010

Non-Geiger-Mode Single-Photon Avalanche Detector with Low Excess Noise

This design constitutes a self-resetting (gain quenching), room-temperature operational semiconductor single-photon-sensitive detector that is sensitive to telecommunications optical wavelengths and is scalable to large areas (millimeter diameter) with high bandwidth and efficiencies. The device can detect single photons at a 1,550-nm wavelength at a gain of 1 x 10(exp 6). Unlike conventional single photon avalanche detectors (SPADs), where gain is an extremely sensitive function to the bias voltage, the multiplication gain of this device is stable at 1 x 10(exp 6) over a wide range of bias from 30.2 to 30.9 V. Here, the multiplication gain is defined as the total number of charge carriers contained in one output pulse that is triggered by the absorption of a single photon. The statistics of magnitude of output signals also shows that the device has a very narrow pulse height distribution, which demonstrates a greatly suppressed gain fluctuation. From the histograms of both pulse height and pulse charge, the equivalent gain variance (excess noise) is between 1.001 and 1.007 at a gain of 1 x 10(exp 6). With these advantages, the device holds promise to function as a PMT-like photon counter at a 1,550- nm wavelength. The epitaxial layer structure of the device allows photons to be absorbed in the InGaAs layer, generating electron/hole (e-h) pairs. Driven by an electrical field in InGaAs, electrons are collected at the anode while holes reach the multiplication region (InAlAs p-i-n structure) and trigger the avalanche process. As a result, a large number of e-h pairs are created, and the holes move toward the cathode. Holes created by the avalanche process gain large kinetic energy through the electric field, and are considered hot. These hot holes are cooled as they travel across a p -InAlAs low field region, and are eventually blocked by energy barriers formed by the InGaAsP/ InAlAs heterojunctions. The composition of the InGaAsP alloy was chosen to have an 80 meV valance band offset with InAlAs, which is high enough to hinder the transport of the already cooled holes. Being stopped by the energy barrier, holes are accumulated at the junctions to shield the electric field, resulting in a decrease of the electric field in the multiplication region. Because the impact ionization rate is extremely sensitive to the magnitude of the electric field, the field-screening effect drastically reduces the impact ionization rate and quenches the output signals. After the avalanche pulse signal is self-quenched, the accumulated holes at the InGaAsP/ InAlAs interface escape the energy barrier through thermal excitation and tunneling and finally leave the device. The device is thus reset and ready for subsequent photon detection. This recovery time is controlled by the height of the energy barrier and the hole-cooling rate.

Zhao, Kai↗
DOE OSTI2024

Biosensor and machine learning-aided engineering of an amaryllidaceae enzyme

A major challenge to achieving industry-scale biomanufacturing of therapeutic alkaloids is the slow process of biocatalyst engineering. Amaryllidaceae alkaloids, such as the Alzheimer’s medication galantamine, are complex plant secondary metabolites with recognized therapeutic value. Due to their difficult synthesis they are regularly sourced by extraction and purification from the low-yielding daffodil Narcissus pseudonarcissus. Here, we propose an efficient biosensor-machine learning technology stack for biocatalyst development, which we apply to engineer an Amaryllidaceae enzyme in Escherichia coli. Directed evolution is used to develop a highly sensitive (EC 50 = 20 μM) and specific biosensor for the key Amaryllidaceae alkaloid branchpoint 4’-O-methylnorbelladine. A structure-based residual neural network (MutComputeX) is subsequently developed and used to generate activity-enriched variants of a plant methyltransferase, which are rapidly screened with the biosensor. Functional enzyme variants are identified that yield a 60% improvement in product titer, 2-fold higher catalytic activity, and 3-fold lower off-product regioisomer formation. A solved crystal structure elucidates the mechanism behind key beneficial mutations.

60 APPLIED LIFE SCIENCES↗
DOE OSTI2023

An autonomous laboratory for the accelerated synthesis of novel materials

To close the gap between the rates of computational screening and experimental realization of novel materials, we introduce the A-Lab, an autonomous laboratory for the solid-state synthesis of inorganic powders. This platform uses computations, historical data from the literature, machine learning (ML) and active learning to plan and interpret the outcomes of experiments performed using robotics. Over 17 days of continuous operation, the A-Lab realized 41 novel compounds from a set of 58 targets including a variety of oxides and phosphates that were identified using large-scale ab initio phase-stability data from the Materials Project and Google DeepMind. Synthesis recipes were proposed by natural-language models trained on the literature and optimized using an active-learning approach grounded in thermodynamics. Analysis of the failed syntheses provides direct and actionable suggestions to improve current techniques for materials screening and synthesis design. The high success rate demonstrates the effectiveness of artificial-intelligence-driven platforms for autonomous materials discovery and motivates further integration of computations, historical knowledge and robotics.

36 MATERIALS SCIENCE↗