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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 703 records · Page 39
All sourcesNASA NTRSDOE OSTI
DOE OSTI2022

Review—Micro-Fuel Cell Principal Biosensors for Monitoring Transdermal Volatile Organic Compounds in Humans

Knowledge of transduction mechanisms in biosensing applications paves the way for ultrasensitive and dynamic detection in living systems. Real-world biosensing applications where ultra-sensitivity and dynamic detection are paramount include monitoring the anesthetic agent concentration during surgery; the slightest variation in concentration can potentially result in a life-threatening overdose or, on the other end of the spectrum, the patient’s awareness during the procedure. We review the benefits and functions of the transcutaneous biosensor device compared with other current technology and discuss the sensor’s capability to accurately measure volatile anesthetic gas concentration in blood using fuel cell technology. We review fundamental concepts of fuel-cell technology for wearable bio-sensing applications. The fuel cell sensor can also continuously monitor other volatile organic compounds making it versatile with numerous potential applications.

42 ENGINEERING↗
DOE OSTI2019

Deblending galaxy superpositions with branched generative adversarial networks

Abstract Near-future large galaxy surveys will encounter blended galaxy images at a fraction of up to 50 per cent in the densest regions of the Universe. Current deblending techniques may segment the foreground galaxy while leaving missing pixel intensities in the background galaxy flux. The problem is compounded by the diffuse nature of galaxies in their outer regions, making segmentation significantly more difficult than in traditional object segmentation applications. We propose a novel branched generative adversarial network to deblend overlapping galaxies, where the two branches produce images of the two deblended galaxies. We show that generative models are a powerful engine for deblending given their innate ability to infill missing pixel values occluded by the superposition. We maintain high peak signal-to-noise ratio and structural similarity scores with respect to ground truth images upon deblending. Our model also predicts near-instantaneously, making it a natural choice for the immense quantities of data soon to be created by large surveys such as Large Synoptic Survey Telescope, Euclid, and Wide-Field Infrared Survey Telescope.

Reiman, David M.↗
DOE OSTI2024

Structure-Based Identification of Novel Histone Deacetylase 4 (HDAC4) Inhibitors

Histone deacetylases (HDACs) are important cancer drug targets. Existing FDA-approved drugs target the catalytic pocket of HDACs, which is conserved across subfamilies (classes) of HDAC. However, engineering specificity is an important goal. Herein, we use molecular modeling approaches to identify and target potential novel pockets specific to Class IIA HDAC-HDAC4 at the interface between HDAC4 and the transcriptional corepressor component protein NCoR. These pockets were screened using an ensemble docking approach combined with consensus scoring to identify compounds with a different binding mechanism than the currently known HDAC modulators. Binding was compared in experimental assays between HDAC4 and HDAC3, which belong to a different family of HDACs. HDAC4 was significantly inhibited by compound 88402 but not HDAC3. Two other compounds (67436 and 134199) had IC50 values in the low micromolar range for both HDACs, which is comparable to the known inhibitor of HDAC4, SAHA (Vorinostat). However, both of these compounds were significantly weaker inhibitors of HDAC3 than SAHA and thus more selective, albeit to a limited extent. Five compounds exhibited activity on human breast carcinoma and/or urothelial carcinoma cell lines. The present result suggests potential mechanistic and chemical approaches for developing selective HDAC4 modulators.

60 APPLIED LIFE SCIENCES↗
NASA NTRS1995

Evaluation of pressurized water cleaning systems for hardware refurbishment

Historically, refurbishment processes for RSRM motor cases and components have employed environmentally harmful materials. Specifically, vapor degreasing processes consume and emit large amounts of ozone depleting compounds. This program evaluates the use of pressurized water cleaning systems as a replacement for the vapor degreasing process. Tests have been conducted to determine if high pressure water washing, without any form of additive cleaner, is a viable candidate for replacing vapor degreasing processes. This paper discusses the findings thus far of Engineering Test Plan - 1168 (ETP-1168), 'Evaluation of Pressurized Water Cleaning Systems for Hardware Refurbishment.'

Dillard, Terry W.↗
NASA NTRS1994

The chemical reactivity of the Martian soil and implications for future missions

Possible interpretations of the results of the Viking Biology Experiments suggest that greater than 1 ppm of a thermally labile oxidant, perhaps H2O2, and about 10 ppm of a thermally stable oxidant are present in the martian soil. We reexamine these results and discuss implications for future missions, the search for organics on Mars, and the possible health and engineering effects for human exploration. We conclude that further characterization of the reactivity of the martian regolith materials is warrented-although if our present understanding is correct the oxidant does not pose a hazard to humans. There are difficulties in explaining the reactivity of the Martian soil by oxidants. Most bulk phase compounds that are capable of oxidizing H2O to O2 per the Gas Exchange Experiment (GEx) are thermally labile or unstable against reduction by atmospheric CO2. Models invoking trapped O2 or peroxynitrates (NOO2(-)) require an unlikely geologic history for the Viking Lander 2 site. Most suggested oxidants, including H2O2, are expected to decompose rapidly under martian UV. Nonetheless, we conclude that the best model for the martian soil contains oxidants produced by heterogeneous chemical reactions with a photochemically produced atmospheric oxidant. The GEx results may be due to catalytic decomposition of an unstable oxidizing material by H2O. We show that interfacial reaction sites covering less than 1% of the available soil surfaces could explain the Viking Biology Experiments results.

Zent, Aaron P.↗
DOE OSTI2021

Chapter 7 - CRISPR-Based Tools for Microbial Cell Factories

The development of microbial chassis for the production of a variety of biochemicals and biofuels is a growing area of research. How to efficiently manipulate genetic information to achieve optimal production of these compounds is a key area of focus in the field. In recent years, clustered regularly interspaced palindromic repeats (CRISPR) and its associated proteins (Cas) have become a popular strategy for gene editing and regulation in many organisms due to its versatility and efficacy. Here, we describe methods developed utilizing CRISPR-Cas systems for engineering microbial cell factories (e.g., bacteria and yeast) at the single gene to genome scale for mutagenesis and transcriptional regulation of target genes. Finally, we provide a perspective on the challenges and opportunities for the applications of advanced CRISPR-Cas-based tools for engineering microbial cell factories.

BIOMASS FUELS↗
DOE OSTI2021

Thermodynamic properties of the Nd-Bi system via emf measurements, $\mathrm{DFT}$ calculations, machine learning, and $\mathrm{CALPHAD}$ modeling

Thermodynamic properties of the Nd-Bi system were investigated using a combination of experimental measurements, first-principles calculations based on density functional theory (DFT), data mining and machine learning (DM + ML) predictions, and calculation of phase diagrams (CALPHAD) modeling. The electromotive force (emf) of Nd-Bi alloys in molten LiCl-KCl-NdCl 3 at 773–973 K was measured via coulometric titration of Nd into Bi for the determination of thermochemical properties such as activity coefficients and solubilities of Nd in Bi. A new peritectic reaction of [liquid + NdBi 2 = Nd 3 Bi 7 ] at 774 K was confirmed using differential scanning calorimetry, structural (X-ray diffraction), and microstructural (scanning electron microscopy) analyses. The unknown crystal structure of NdBi2 was suggested to be a mixture of the anti-La 2 Sb configuration and the La 2 Te-type configuration based on ML predictions for over 26,000 data-mined AB 2 -type configurations together with DFT-based verifications. Using the newly acquired experimental data and DFT-based calculations, the thermodynamic description of the Nd-Bi system was remodeled, and a more complete Nd-Bi phase diagram was calculated, including the Nd 3 Bi 7 compound, invariant transition reactions, and liquidus temperatures.

36 MATERIALS SCIENCE↗
DOE OSTI2011

Magnetic properties of bio-synthesized zinc ferrite nanoparticles

The magnetic properties of zinc ferrite (Zn-substituted magnetite, Zn{sub y}Fe{sub 1-y}Fe{sub 2}O{sub 4}) formed by a microbial process compared favorably with chemically synthesized materials. A metal reducing bacterium, Thermoanaerobacter, strain TOR-39 was incubated with Zn{sub x}Fe{sub 1-x}OOH (x=0.01, 0.1, and 0.15) precursors and produced nanoparticulate zinc ferrites. Composition and crystalline structure of the resulting zinc ferrites were verified using X-ray fluorescence, X-ray diffraction, transmission electron microscopy, and neutron diffraction. The average composition from triplicates gave a value for y of 0.02, 0.23, and 0.30 with the greatest standard deviation of 0.02. Average crystallite sizes were determined to be 67, 49, and 25 nm, respectively. While crystallite size decreased with more Zn substitution, the lattice parameter and the unit cell volume showed a gradual increase in agreement with previous literature values. The magnetic properties were characterized using a superconducting quantum interference device magnetometer and were compared with values for the saturation magnetization (M{sub s}) reported in the literature. The averaged M{sub s} values for the triplicates with the largest amount of zinc (y=0.30) gave values of 100.1, 96.5, and 69.7 emu/g at temperatures of 5, 80, and 300 K, respectively indicating increased magnetic properties of the bacterially synthesized zinc ferrites.

42 ENGINEERING↗
DOE OSTI2020

Crystal and magnetic structure of polar oxide HoCrWO 6

In this study, polar magnetic oxide HoCrWO 6 is synthesized and its crystal structure, magnetic structure, and thermodynamic properties are investigated. HoCrWO 6 forms the polar crystal structure (space group Pna 2 1 (#33)) due to the cation ordering of W 6+ and Cr 3+ . There is an antiferromagnetic transition at T N = 24.5 K along with the magnetic entropy change (~5 J.Kg. –1 K –1 at 70 kOe). Neutron diffraction measurement indicates that both Cr and Ho sublattices are ordered with the moment of 2.32(5)μ B and 8.7(4)μ B at 2 K, respectively. While Cr forms A-type collinear antiferromagnetic (AFM) structure with magnetic moment along the b axis, Ho sublattice orders in a non-coplanar AFM arrangement. A comparison with isostructural DyFeWO 6 and DyCrWO 6 indicates that the magnetic structure of this family of compounds is controlled by the presence or absence of e g electrons in the transition metal sublattice.

42 ENGINEERING↗
DOE OSTI2018

Serendipity in Catalysis Research: Boron-Based Materials for Alkane Oxidative Dehydrogenation

In this Account, we will first present our initial discovery of boron nitride (BN) as an unexpected catalyst for the oxidative dehydrogenation of light alkanes. Beyond its surprising activity, BN also drew interest due to its low selectivity to carbon oxides. This observation made BN distinct from previously studied metal oxide catalysts for selective alkane oxidation. Here, we narrowed down its unique reactivity to the oxygen functionalization of the catalyst surface, particularly the formation of B–O species as probed by various spectroscopic techniques. In investigating the critical role of each of the structural elements during ODH, we discovered that not only BN but an entire class of boron-containing compounds are active and selective for the formation of propylene from propane.

03 NATURAL GAS↗
DOE OSTI2018

Impact of Anion Vacancies on the Local and Electronic Structures of Iron-Based Oxyfluoride Electrodes

The properties of crystalline solids can be significantly modified by deliberately introducing point defects. Understanding these effects, however, requires understanding the changes in geometry and electronic structure of the host material. Here we report the effect of forming anion vacancies, via dehydroxylation, in a hexagonal tungsten-bronze-structured iron oxyfluoride, which has potential use as a lithium-ion battery cathode. Our combined pair distribution function and density functional theory analysis indicates that oxygen vacancy formation is accompanied by spontaneous rearrangement of fluorine anions and vacancies, producing dual pyramidal (FeF 4 )-O-(FeF 4 ) structural units containing 5-fold-coordinated Fe atoms. The addition of lattice oxygen introduces new electronic states above the top of the valence band, with a corresponding reduction in the optical band gap from 4.05 to 2.05 eV. In conclusion, this band gap reduction relative to the FeF 3 parent material is correlated with a significant improvement in lithium insertion capability relative to a defect-free compound.

36 MATERIALS SCIENCE↗
DOE OSTI2010

Laser Ablation of Biological Tissue Using Pulsed CO{sub 2} Laser

Laser scalpels are currently used as a form of laser treatment. However, their ablation mechanism has not been clarified because laser excision of biological tissue occurs over a short time scale. Biological tissue ablation generates sound (laser-induced sound). This study seeks to clarify the ablation mechanism. The state of the gelatin ablation was determined using a high-speed video camera and the power reduction of a He-Ne laser beam. The aim of this study was to clarify the laser ablation mechanism by observing laser excision using the high-speed video camera and monitoring the power reduction of the He-Ne laser beam. We simulated laser excision of a biological tissue by irradiating gelatin (10 wt%) with radiation from a pulsed CO{sub 2} laser (wavelength: 10.6 {mu}m; pulse width: 80 ns). In addition, a microphone was used to measure the laser-induced sound. The first pulse caused ablation particles to be emitted in all directions; these particles were subsequently damped so that they formed a mushroom cloud. Furthermore, water was initially evaporated by laser irradiation and then tissue was ejected.

42 ENGINEERING↗
DOE OSTI2013

Ventilation Control of Volatile Organic Compounds in New U.S. Homes: Results of a Controlled Field Study in Nine Residential Units

In order to optimize strategies to remove airborne contaminants in residences, it is necessary to determine how contaminant concentrations respond to changes in the air exchange rate. The impact of air exchange rate on the indoor concentrations of 39 target volatile organic compounds (VOCs) was assessed by measuring air exchange rates and VOC concentrations at three ventilation settings in nine residences. Active sampling methods were used for VOC concentration measurements, and passive perfluorocarbon tracer gas emitters with active sampling were used to determine the overall air exchange rate corresponding to the VOC measurements at each ventilation setting. The concentration levels and emission rates of the target VOCs varied by as much as two orders of magnitude across sites. Aldehyde and terpene compounds were typically the chemical classes with highest concentrations, followed by alkanes, aromatics, and siloxanes. For each home, VOC concentrations tended to decrease as the air exchange rate was increased, however, measurement uncertainty was significant. The indoor concentration was inversely proportional to air exchange rate for most compounds. For a subset of compounds including formaldehyde, however, the indoor concentration exhibited a non-linear dependence on the timescale for air exchange

42 ENGINEERING↗
DOE OSTI2020

PAL Experimental Report Form

We constructed the first simultaneous dark- and bright-field X-ray microscope in this experiment, coupling it to simultaneous measurements of the wide-angle Xray diffraction, and the XFEL pulse intensity and energy spectrum on each shot. This experiment established proof of concept for this new advanced measurement technique and demonstrated DFXM at an XFEL for the first time. Within this complex experiment, we also acquired data that advanced our research goals within materials science and mathematics. These included: A preliminary study of how local effects reduce the X-ray damage threshold in diamond; A preliminary study of how X-ray radiation imparts heat into materials based on irreversible phase transitions that occur in boric acid with increasing temperature (based on hydration); A study of X-ray radiation damage from ultrafast thermal cycling and nonthermal melting in bismuth selenide; We also began developing software to automate alignment of compound refractive lenses (CRLs) using stochastic Nelder-Mead optimization methods. This work will expedite and improve the accuracy of alignments for many future experiments using CRLs.

36 MATERIALS SCIENCE↗
NASA NTRS1990

A function-based approach to cockpit procedure aids

The objective of this research is to develop and test a cockpit procedural aid that can compose and present procedures that are appropriate for the given flight situation. The procedure would indicate the status of the aircraft engineering systems, and the environmental conditions. Prescribed procedures already exist for normal as well as for a number of non-normal and emergency situations, and can be presented to the crew using an interactive cockpit display. However, no procedures are prescribed or recommended for a host of plausible flight situations involving multiple malfunctions compounded by adverse environmental conditions. Under these circumstances, the cockpit procedural aid must review the prescribed procedures for the individual malfunction (when available), evaluate the alternatives or options, and present one or more composite procedures (prioritized or unprioritized) in response to the given situation. A top-down function-based conceptual approach towards composing and presenting cockpit procedures is being investigated. This approach is based upon the thought process that an operating crew must go through while attempting to meet the flight objectives given the current flight situation. In order to accomplish the flight objectives, certain critical functions must be maintained during each phase of the flight, using the appropriate procedures or success paths. The viability of these procedures depends upon the availability of required resources. If resources available are not sufficient to meet the requirements, alternative procedures (success paths) using the available resources must be constructed to maintain the critical functions and the corresponding objectives. If no success path exists that can satisfy the critical functions/objectives, then the next level of critical functions/objectives must be selected and the process repeated. Information is given in viewgraph form.

Phatak, Anil V.↗
DOE OSTI2019

Metabolic Incorporation of N ‐Acetyl Muramic Acid Probes into Bacterial Peptidoglycan

Abstract Bacterial cells utilize small carbohydrate building blocks to construct peptidoglycan (PG), a highly conserved mesh‐like polymer that serves as a protective coat for the cell. PG production has long been a target for antibiotics, and its breakdown is a source for human immune recognition. A key component of bacterial PG, N ‐acetyl muramic acid (NAM), is a vital element in many synthetically derived immunostimulatory compounds. However, the exact molecular details of these structures and how they are generated remain unknown due to a lack of chemical probes surrounding the NAM core. A robust synthetic strategy to generate bioorthogonally tagged NAM carbohydrate units is implemented. These molecules serve as precursors for PG biosynthesis and recycling. Escherichia coli cells are metabolically engineered to incorporate the bioorthogonal NAM probes into their PG network. The probes are subsequently modified using copper‐catalyzed azide‐alkyne cycloaddition to install fluorophores directly into the bacterial PG, as confirmed by super‐resolution microscopy and high‐resolution mass spectrometry. Here, synthetic notes for key elements of this process to generate the sugar probes as well as streamlined user‐friendly metabolic labeling strategies for both microbiology and immunological applications are described. © 2019 by John Wiley & Sons, Inc. Basic Protocol 1 : Synthesis of peracetylated 2‐azido glucosamine Basic Protocol 2 : Synthesis of 2‐azido and 2‐alkyne NAM Basic Protocol 3 : Synthesis of 3‐azido NAM methyl ester Basic Protocol 4 : Incorporation of NAM probes into bacterial peptidoglycan Basic Protocol 5 : Confirmation of bacterial cell wall remodeling by mass spectrometry

DeMeester, Kristen E.↗
DOE OSTI2026

Considerations for Microbial Production of Oleochemicals

Fatty acids and their derivatives have a wide variety of uses in industrial and consumer products. While these compounds are traditionally derived from petrochemicals or natural lipids, microbes offer an alternate route for production. This chapter provides an overview of the highly conserved fatty acid biosynthetic pathway. Though highly conserved, key differences among organisms in how the pathway is realized and how it interacts within metabolism are also addressed. Finally, this chapter details engineering interventions aimed at increasing production of and upgrading fatty acids.

Hubbard, Susan C↗