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DOE OSTI2023

Large-scale analysis of structural brain asymmetries in schizophrenia via the ENIGMA consortium

Left–right asymmetry is an important organizing feature of the healthy brain that may be altered in schizophrenia, but most studies have used relatively small samples and heterogeneous approaches, resulting in equivocal findings. We carried out the largest case–control study of structural brain asymmetries in schizophrenia, with MRI data from 5,080 affected individuals and 6,015 controls across 46 datasets, using a single image analysis protocol. Asymmetry indexes were calculated for global and regional cortical thickness, surface area, and subcortical volume measures. Differences of asymmetry were calculated between affected individuals and controls per dataset, and effect sizes were meta-analyzed across datasets. Small average case–control differences were observed for thickness asymmetries of the rostral anterior cingulate and the middle temporal gyrus, both driven by thinner left-hemispheric cortices in schizophrenia. Analyses of these asymmetries with respect to the use of antipsychotic medication and other clinical variables did not show any significant associations. Assessment of age- and sex-specific effects revealed a stronger average leftward asymmetry of pallidum volume between older cases and controls. Case–control differences in a multivariate context were assessed in a subset of the data (N = 2,029), which revealed that 7% of the variance across all structural asymmetries was explained by case–control status. Subtle case–control differences of brain macrostructural asymmetry may reflect differences at the molecular, cytoarchitectonic, or circuit levels that have functional relevance for the disorder. Reduced left middle temporal cortical thickness is consistent with altered left-hemisphere language network organization in schizophrenia.

60 APPLIED LIFE SCIENCES↗

DOE OSTI2023

Assessment of the Performance of Hydrofluoroolefins, Hydrochlorofluoroolefins, and Halogen-Free Foam Blowing Agents in Cellular Plastic Foams

Oak Ridge National Laboratory has conducted a literature search to identify relevant information available on alternative materials and technologies that are proposed for foam blowing agents applications. For comparison, similar information was collected for available hydrofluorocarbons (HFC), hydrofluoroolefin (HFO), and hydrochlorofluoroolefins (HCFO) materials. The publicly available literature was analyzed and assessed for technical accuracy for each alternative, and a gap analysis was conducted to understand if additional studies are required to fully assess the viability of an alternative. In assessing these alternatives, this project focused on relevant performance and safety attributes. The performance attributes collected include insulation value per unit thickness, which impacts energy usage of buildings and insulated equipment such as refrigerators. We also assessed the impact of blowing agents on foam mechanical properties and flammability characteristics, and the ability of current processing equipment and techniques to utilize these alternatives. Diffusion of blowing agents through foam cells and its impact on foam aging was also examined. The applications covered in this study are spray foam, boardstock, panels, and appliances. Some of the most relevant findings are summarized below.

36 MATERIALS SCIENCE↗

DOE OSTI2024

Sex Differences in Odds of Brain Metastasis and Outcomes by Brain Metastasis Status after Advanced Melanoma Diagnosis

Sex differences in cancer are well-established. However, less is known about sex differences in diagnosis of brain metastasis and outcomes among patients with advanced melanoma. Using a United States nationwide electronic health record-derived de-identified database, we evaluated patients diagnosed with advanced melanoma from 1 January 2011–30 July 2022 who received an oncologist-defined rule-based first line of therapy (n = 7969, 33% female according to EHR, 35% w/documentation of brain metastases). The odds of documented brain metastasis diagnosis were calculated using multivariable logistic regression adjusted for age, practice type, diagnosis period (pre/post-2017), ECOG performance status, anatomic site of melanoma, group stage, documentation of non-brain metastases prior to first-line of treatment, and BRAF positive status. Real-world overall survival (rwOS) and progression-free survival (rwPFS) starting from first-line initiation were assessed by sex, accounting for brain metastasis diagnosis as a time-varying covariate using the Cox proportional hazards model, with the same adjustments as the logistic model, excluding group stage, while also adjusting for race, socioeconomic status, and insurance status. Adjusted analysis revealed males with advanced melanoma were 22% more likely to receive a brain metastasis diagnosis compared to females (adjusted odds ratio [aOR]: 1.22, 95% confidence interval [CI]: 1.09, 1.36). Males with brain metastases had worse rwOS (aHR: 1.15, 95% CI: 1.04, 1.28) but not worse rwPFS (adjusted hazard ratio [aHR]: 1.04, 95% CI: 0.95, 1.14) following first-line treatment initiation. Among patients with advanced melanoma who were not diagnosed with brain metastases, survival was not different by sex (rwOS aHR: 1.06 [95% CI: 0.97, 1.16], rwPFS aHR: 1.02 [95% CI: 0.94, 1.1]). This study showed that males had greater odds of brain metastasis and, among those with brain metastasis, poorer rwOS compared to females, while there were no sex differences in clinical outcomes for those with advanced melanoma without brain metastasis.

60 APPLIED LIFE SCIENCES↗

NASA NTRS1993

Consortium study of the unusual H chondrite regolith breccia, Noblesville

The Noblesville meteorite is a genomict, regolith breccia (H6 clasts in H4 matrix). Moessbauer analysis confirms that Noblesville is unusually fresh, not surprising in view of its recovery immediately after its fall. It resembles 'normal' H4-6 chondrites in its chemical composition and induced thermoluminescence (TL) levels. Thus, at least in its contents of volatile trace elements, Noblesville differs from other H chondrite, class A regolith breccias. Noblesville's small pre-atmospheric mass and fall near solar maximum and/or its peculiar orbit (with perihelion less than 0.8 AU as shown by natural TL intensity) may partly explain its levels of cosmogenic radionuclides. Its cosmic ray exposure age of about 44 Ma is long, is equalled or exceeded by less than 3 percent of all H chondrites, and also differs from the 33 +/- 3 Ma mean exposure age peak of other H chondrite regolith breccias. While Noblesville is now among the chondritic regolithic breccias richest in solar gases, elemental ratios indicate some loss, especially of He, perhaps by impacts in the regolith that heated individual grains. While general shock-loading levels in Noblesville did not exceed 4 GPa, individual clasts record shock levels of 5-10 GPa, doubtless acquired prior to lithification of the whole-rock meteoroid.

Lipschutz, Michael E.↗

NASA NTRS2007

The Lunar Environment: Determining the Health Effects of Exposure to Moon Dusts

The Earth s moon presents a hostile environment in which to live and work. There is no atmosphere to protect its surface from the ravages of solar wind and micrometeorite impacts. As a result, the moon s surface is covered with a thin layer of fine, charged, reactive dust capable of entering habitats and vehicle compartments, where it can result in crewmember health problems. During the Apollo missions, lunar dusts were introduced into the crew vehicle, resulting in direct exposure and occasional reports of respiratory, dermal and ocular irritation. In order to study the toxicological effects of lunar dust, NASA formed the Lunar Airborne Dust Toxicity Advisory Group (LADTAG). This interdisciplinary group is comprised of leading experts in space toxicology, lunar geology, space medicine and biomedical research. LADTAG has demonstrated that lunar soil contains several types of reactive dusts, including an extremely fine respirable component. These dusts have highly reactive surfaces in the lunar environment; the grains contain surface coatings which are generated by vapor phases formed by hypervelocity impact of micrometeorites. This unique class of dusts has surface properties that are unlike any Earth based analog. These distinctive properties are why lunar dusts are of great toxicological interest. Understanding how these reactive components behave "biochemically" in a moisture-rich pulmonary environment will aid in determining how toxic these particles are to humans. The data obtained from toxicological examination of lunar dusts will determine the human risk criteria for lunar dust exposure and produce a lunar health standard. LADTAG s analysis of lunar dusts and lunar dust simulants will include detailed lunar particle characterizations, determining the properties of particle activation, reactivation of lunar dust, the process of dust passivation and discerning the pathology of lunar dust exposure via inhalation, intratracheal instillation, cell culture exposure, dermal exposure and ocular exposure. The resulting health standard will be time-based and will vary by the duration and type of exposure. It may also be necessary to set multiple standards for different types of lunar dust, as well as for dust in its activated form vs. aged & passivated dust. This standard, set to protect the health of our robust astronaut crews, will not only impact NASA medical operations, but engineering designs as well. The data from our multidisciplinary research are vital in developing remediation devices and environmental monitors. Ultimately, the engineering and safety groups will design and develop countermeasures for space vehicles, suits, rovers and habitats that will be sustained within the limits of the health standard.

Khan-Mayberry, Noreen↗

NASA NTRS2014

Investigating the Present Day Cosmic Dust Flux at the Earth's Surface: Initial Results from the Kwajalein Micrometeorite Collection

Examination of impact craters on the Long Duration Exposure Facility satellite indicate a present day micrometeoroid flux of approx. 30,000 tonnes [1 after 2]. But what portion of this material arrives at the Earth's surface as micrometeorites? Studies of available micrometeorite collections from deep sea sediments [e.g. 3], Greenland blue ice [e.g. 4] and the South Pole water well [e.g. 1] may be complicated by terrestrial weathering and, in some cases, collection bias (magnetic separation for deep sea sediments) and poorly constrained ages. We have recently set up a micrometeorite collection station on Kwajalein Island in the Republic of the Marshall Islands in the Pacific Ocean, using high volume air samplers to collect particles directly from the atmosphere. By collecting in this way, the terrestrial age of the particles is known, the weathering they experience is minimal, and we are able to constrain particle arrival times. Collecting at this location also exploits the considerably reduced anthropogenic background [5]. Method: High volume air samplers were installed on top of the two-story airport building on Kwajalein. These were fitted with polycarbonate membrane filters with 5μm diameter perforations. The flow rates were set to 0.5m3/min, and filters were changed once a week. After collection, filters were washed to remove salt and concentrate particles [see 5] in preparation for analysis by SEM. Results and Discussion: A selection of filters have been prepared and surveyed. Due to their ease of identification our initial investigations have focused on particles resembling cosmic spherules. The spheres can be divided into three main groups: 1. Silicate spherules rich in Al, Ca, K and Na (to varying degrees), 2. Silicate spherules rich in Mg and Fe and 3. Fe-rich spherules. Group 1 spherules are often vesiculated and can occur as aggregates. They are similar in appearance and composition to volcanic microspheres [e.g. 6] and are thus likely terrestrial in origin (volcanic). Those of groups 2 and 3, however, typically exhibit quenched surface textures consistent with cosmic spherules. Initial results suggest there is significant variation in the abundance of these groups from filter to filter. Work is ongoing to fully characterize these spherules and to constrain their flux with time.

Wozniakiewicz, P. J.↗

NASA NTRS2015

Impact History on Vesta: Petrographic, Compositional and Future Chronological Studies of Melt Clasts in Howardites

Howardite meteorites are polymict breccias composed mainly of eucritic and diogenitic material that likely originate from the surface of the Asteroid 4 Vesta. They can be separated into two subtypes: Regolithic, which represent the lithified remains of the active vestan regolith; Fragmental, which represent simpler polymict breccias. Amongst the regolithic features observed in the former, melt clasts are particularly striking for their appearance and compositional variability. They range from glassy spherules to finely crystalline (i.e., devitrified) clasts, and clasts containing only relict mineral grains to those containing only phenocrysts. Glasses can be separated into compositional sub-types including those with low FeO/MgO ratios (less than 5) -low alkali glasses, K-rich (K2O greater than 0.2 wt.%), Na-rich (Na2O greater than 0.6 wt.%) and CaO-rich, and those with high FeO/MgO ratios (greater than 10). There is also a distinction to be made between primary volcanic melt clasts and those produced by impacts. While suggested that a lack of chemical homogeneity among their studied melt clasts ruled out a primary volcanic origin, the low siderophile element contents observed in such clasts suggest less compositional influence from impactors than commonly assumed. Studying the chronology of the impact melt clasts in howardites can help us to better determine the timing of impact events on Vesta and the asteroid belt. In this research, we are launching an investigation into the petrology, composition (major/trace element and noble gas) and chronology of melt clasts in howardites. We have selected a set of howardites known to contain large quantities of melt clasts, and have begun the petrological and compositional studies of these materials. Once the melt clasts have been fully classified, we aim to perform chronological studies of individual clasts using both the Ar-40/Ar-39 and Pb-Pb chronometers, as well as determine the noble gas components present. Of particular note, the study will take advantage of the laser ablation techniques associated with the noble gas facilities at ASU, which will allow high-resolution, in-situ analysis of individual clasts. The broader aim of this work is to ascertain whether the impact flux in the region of the asteroid belt was similar to that on the Moon. Our understanding of impact events in the inner Solar System relies heavily on our analyses of lunar meteorites and returned samples, and there is currently some debate regarding whether there was a "Lunar Cataclysm" event around approx. 3.9 Ga, or the end of an epoch of "Late Heavy Bombardment" (LHB) at this time. New and more comprehensive constraints on howardite melt clast ages may help determine whether the asteroid belt experienced such a cataclysm or LHB.

Cartwright, J. A.↗

DOE OSTI1992

Nuclear Safety [Vol. 33, No. 1, January-March 1992]

Nuclear Safety is a review journal that covers significant developments in the field of nuclear safety. Its scope includes the analysis and control of hazards associated with nuclear energy, operations involving fissionable materials, and the products of nuclear fission and their effects on the environment. Primary emphasis is on safety in reactor design, construction, and operation; however, the safety aspects of the entire fuel cycle, including fuel fabrication, spent-fuel processing, nuclear waste disposal, handling of radioisotopes, and environmental effects of these operations, are also treated. Table of Contents for this issue follows. GENERAL SAFETY CONSIDERATIONS: 1 Technical Note: A New Approach to Fission Reactor Safety, Yu. V. Petrov; 5 Erratum; ACCIDENT ANALYSIS: 6 Analysis and Modeling of Fission Product Release from Various Uranium-Aluminum Plate-Type Reactor Fuels, R. P. Taleyarkhan; CONTROL AND INSTRUMENTATION: 23 Applications of a Surveillance and Diagnostics Methodology Using Neutron Noise From a Pressurized-Water Reactor, R. T. Wood, L. F. Miller, and R. B. Perez; DESIGN FEATURES: 36 Westinghouse Advanced Passive 600 Plant, B. A. McIntyre and R. K. Beck; 47 System 80+™ PWR Safety Design, C. W. Bagnal, R. A. Matzie, and R. S. Turk; ENVIRONMENTAL EFFECTS: 58 The MATS Experiments—Mesoscale Atmospheric Transport Studies at the Savannah River Site, A. H. Weber, S. Berman, R. J. Kurzeja, and R. P. Addis; 75 Book Review: Environmental Radioactivity in the European Community 1984-1985-1986, C. A. Little; WASTE AND SPENT FUEL MANAGEMENT: 76 Activities Related to Waste and Spent Fuel Management, M. D. Muhlheim and E. G. Silver; OPERATING EXPERIENCES: 87 Aging Assessment of BWR Control Rod Drive Systems, R. H. Greene; 100 Reactor Shutdown Experience, Compiled by J. W. Cletcher; 103 Selected Safety-Related Events, Compiled by G. A. Murphy; 110 Operating U.S. Power Reactors, Compiled by M. D. Muhlheim and E. G. Silver; RECENT DEVELOPMENTS: 129 General Administrative Activities, Compiled by M. D. Muhlheim and E. G. Silver; 139 Reports, Standards, and Safety Guides, D. S. Queener; 143 Proposed Rule Changes as of Sept. 30 1991; ANNOUNCEMENTS: 128 Harvard School of Public Health Announces Short Courses; 128 16th Biennial ANS Topical Meeting on Reactor Operating Experience: Present and Future Technologies—Applying Lessons Learned (Call for Papers); 147 The Authors; 150 Indexes to Nuclear Safety, Volume 32; 154 Errata.

11 NUCLEAR FUEL CYCLE AND FUEL MATERIALS↗

NASA NTRS1977

The analysis of various size, visually selected and density and magnetically separated fractions of Luna 16 and 20 samples

Samples of Luna 16 and 20 have been separated according to size, visual appearance, density, and magnetic susceptibility. Selected aliquots were examined in eight British laboratories. The studies included mineralogy and petrology, selenochronology, magnetic characteristics, Mossbauer spectroscopy, oxygen isotope ratio determinations, cosmic ray track and thermoluminescence investigations, and carbon chemistry measurements. Luna 16 and 20 are typically mare and highland soils, comparing well with their Apollo counterparts, Apollo 11 and 16, respectively. Both soils are very mature (high free iron, carbide, and methane and cosmogenic Ar), while Luna 16, but not Luna 20, is characterized by a high content of glassy materials. An aliquot of anorthosite fragments, handpicked from Luna 20, had a gas retention age of about 4.3 plus or minus 0.1 Gy.

Eglinton, G.↗

DOE OSTI2021

Problematizing “Planning Ahead”: A Cross-Cultural Analysis of Vietnamese Health and Community Workers’ Perspectives on Advance Care Directives

Informed by values of autonomy and self-determination, advance care planning assumes that individuals should independently take control of their future health. In this article, we draw on research conducted with Vietnamese health and community workers to problematize individualized approaches to planning ahead, reframe notions of “cultural and linguistic barriers,” and expose how homogeneous messages about care at the end of life are not readily translatable within and across diverse groups. Anthropological and feminist critiques of inclusion and exclusion are used to reorientate Anglophone framings of the individual and of cultural and linguistic differences. In this article, we suggest that it is the narrow singularity of care for the self—rather than diverse relationalities of care—that should be overcome if aging and end-of-life care policy and practice is to be broadened and made relevant to migrant and non-English-speaking groups.

Nguyen, Nga↗

NASA NTRS2014

Earth Science Informatics Comes of Age

The volume and complexity of Earth science data have steadily increased, placing ever-greater demands on researchers, software developers and data managers tasked with handling such data. Additional demands arise from requirements being levied by funding agencies and governments to better manage, preserve and provide open access to data. Fortunately, over the past 10-15 years significant advances in information technology, such as increased processing power, advanced programming languages, more sophisticated and practical standards, and near-ubiquitous internet access have made the jobs of those acquiring, processing, distributing and archiving data easier. These advances have also led to an increasing number of individuals entering the field of informatics as it applies to Geoscience and Remote Sensing. Informatics is the science and technology of applying computers and computational methods to the systematic analysis, management, interchange, and representation of data, information, and knowledge. Informatics also encompasses the use of computers and computational methods to support decisionmaking and other applications for societal benefits.

Jodha, Siri↗

DOE OSTI2026

Effects of primordial black holes on IGM history

Currently the asteroid mass window (mass ∼ 10$^{17}$- 10$^{21}$ grams) remains unconstrained for Primordial Black Holes (PBHs) to make up all of the dark matter content of the universe. Given these PBHs have very small masses, their Hawking temperature can be up to hundreds of keV. This study investigates the potential impacts of PBH Hawking radiation on the intergalactic medium from z ∼ 800-25, namely studying the ionization history, kinetic gas temperature, and ultimately the 21 cm signature. We find that for masses on the low edge of the asteroid mass window, there are up two orders of magnitude increases in the ionization fraction and kinetic gas temperature by redshift 25, and the 21 cm spin temperature can differ from non-PBH cosmology by factors of a few. This analysis results in maximum differential brightness temperatures of +17 mK for our lightest PBH masses of 2.12 × 10$^{16}$g. We also show maximal 53 mK discrepancies in differential brightness temperatures between our PBH and non-PBH cosmologies for our lightest PBH mass, while our heaviest PBH mass of 1.65 × 10$^{17}$g shows only 0.5 mK variations. We find the Hawking-radiated electrons and positrons are instrumental in driving these IGM modifications. This study shows the necessity for a rigorous treatment of Hawking radiation in PBH cosmological observables from the dark ages through cosmic dawn.

dark matter theory↗

NASA NTRS2004

Microelectronic DNA assay for the detection of BRCA1 gene mutations

Mutations in BRCA1 are characterized by predisposition to breast cancer, ovarian cancer and prostate cancer as well as colon cancer. Prognosis for this cancer survival depends upon the stage at which cancer is diagnosed. Reliable and rapid mutation detection is crucial for the early diagnosis and treatment. We developed an electronic assay for the detection of a representative single nucleotide polymorphism (SNP), deletion and insertion in BRCA1 gene by the microelectronics microarray instrumentation. The assay is rapid, and it takes 30 minutes for the immobilization of target DNA samples, hybridization, washing and readout. The assay is multiplexing since it is carried out at the same temperature and buffer conditions for each step. The assay is also highly specific, as the signal-to-noise ratio is much larger than recommended value (72.86 to 321.05 vs. 5) for homozygotes genotyping, and signal ratio close to the perfect value 1 for heterozygotes genotyping (1.04).

Validation Studies↗

NASA NTRS2007

Summertime Influence of Asian Pollution in the Free Troposphere over North America

We analyze aircraft observations obtained during INTEX-A (1 July 14 - August 2004) to examine the summertime influence of Asian pollution in the free troposphere over North America. By applying correlation analysis and Principal Component Analysis (PCA) to the observations between 6-12 km, we find dominant influences from recent convection and lightning (13 percent of observations), Asia (7 percent), the lower stratosphere (7 percent), and boreal forest fires (2 percent), with the remaining 71 percent assigned to background. Asian airmasses are marked by high levels of CO, O3, HCN, PAN, acetylene, benzene, methanol, and SO4(2-). The partitioning of reactive nitrogen species in the Asian plumes is dominated by peroxyacetyl nitrate (PAN) (approximately 600 pptv), with varying NO(x)/HNO3 ratios in individual plumes consistent with different plumes ages ranging from 3 to 9 days. Export of Asian pollution in warm conveyor belts of mid-latitude cyclones, deep convection, and lifting in typhoons all contributed to the five major Asian pollution plumes. Compared to past measurement campaigns of Asian outflow during spring, INTEX-A observations display unique characteristics: lower levels of anthropogenic pollutants (CO, propane, ethane, benzene) due to their shorter summer lifetimes; higher levels of biogenic tracers (methanol and acetone) because of a more active biosphere; as well as higher levels of PAN, NO(x), HNO3, and O3 (more active photochemistry possibly enhanced by injection of lightning NO(x)). The high delta O3/delta CO ratio (0.76 mol mol(exp -1)) of Asian plumes during INTEX-A is due to a combination of strong photochemical production and mixing with stratospheric air along isentropic surfaces. The GEOS-Chem global chemical transport model captures the timing and location of the Asian plumes remarkably well. However, it significantly underestimates the magnitude of the enhancements.

Liang, Q.↗

NASA NTRS2017

The Stability of Bioactive Compounds in Spaceflight Foods

The status and stability of bioactive compounds in the processed and shelf-stable spaceflight food system have not previously been investigated though the presence of such compounds in aged space foods could have health significance for crews on long duration exploration missions. Over forty foods - either existing International Space Station (ISS) food provisioning items, newly developed foods for spaceflight, or commercially-available ready-to-eat foods - that were predicted to have a relatively high concentrations of one or more bioactive compounds (lycopene, lutein, omega-3 fatty acids, phenolics, sterols, and/or flavonoids) were selected for the study. Food samples were sent overnight to the Food Composition Laboratory of the Linus Pauling Institute at Oregon State University (Corvallis, OR) for bioactive compound analysis. Three packages of each product were blended together for the analysis to reduce package-to-package variability. All ISS food items and commercial foods were analyzed initially and after 12 and 24 months of 21degC storage. Food development occurred in a staggered fashion, so data collection for the newly developed foods continues. Lastly, sensory evaluation and additional temperature storage data (4degC, 35degC) for select foods were collected to establish additional stability parameters. Efficacious concentrations of lycopene, lutein, and omega-3 fatty acids were measured in limited spaceflight foods; two grams of sterols a day may be difficult to achieve with the current space diet. Total polyphenol delivery appears stable and adequate, but individual phenolic compounds vary in stability and were not specifically evaluated in this study. The data suggests that some bioactive compounds, like lycopene and lutein, degrade and then plateau at some equilibrium concentration. The anthocyanin stability appears to be related to storage temperature and food matrix, and lutein stability in leafy vegetables may be impacted by storage temperature. Because of the limited number of foods with high concentrations of the bioactive compounds, additional menu variety, formulation optimization, and reduced temperature storage will be required to ensure delivery of several bioactive compounds in the space food system. Validation of stability to five years will enable provisioning of these functional foods within the space food system for a mission to Mars.

Cooper, M. R.↗

DOE OSTI2023

Lithium-Ion Battery Diagnostics Using Electrochemical Impedance via Machine-Learning

Diagnosing battery states such as health, state-of-charge, or temperature is crucial for ensuring the safety and reliability of electrochemical energy storage systems. While some states, such as temperature, may be measured using cheap sensors, accurate diagnosis of battery health metrics usually requires time-consuming performance measurements, making them infeasible for use in real-world operation. These health metrics can be measured during lab-testing and then estimated on-line using predictive life models or via state observer algorithms such as Kalman filters, but these predictive methods should be supplemented by actual measurement of battery health whenever possible to ensure reliability. Rapid measurement of battery health may be done by various types of fast diagnostic techniques such as electrochemical impedance spectroscopy (EIS), which can be performed in only a few minutes and require only a fraction of the energy and power needed for a full charge and discharge measurement. But there is a substantial challenge for estimating battery health using EIS data, as EIS is sensitive to cell temperature, state-of-charge, current, and resting time in addition to health. Thus, utilizing EIS data to predict battery capacity requires correcting for all these additional variables, a task that is extremely difficult to handle analytically. This talk utilizes machine-learning methods to estimate the effectiveness of battery capacity prediction from EIS data, leveraging a data set of hundreds of EIS measurements recorded at varying temperature and state-of-charge throughout a 500-day aging study of 32 commercial, large-format NMC-Graphite lithium-ion batteries. Using EIS as input to machine-learning models is complicated by the nonlinear response of impedance to battery health, temperature, and state-of-charge, as well as the collinearity between the impedance response at neighboring frequencies, which can easily lead to overfit models. To train robust models, features from EIS data need to be extracted from the data or some subset of critical frequencies selected. Many approaches for extracting and selecting features from EIS data from electrochemical analysis and machine-learning fields were identified for analysis: using the entire raw spectra; selection of one, two, or many frequencies from the entire spectra; selecting interesting points from the EIS measurement using domain knowledge; fitting EIS with an equivalent-circuit model; calculating statistics on the raw impedance values; and reducing the dimensionality of the data using unsupervised linear (principal component analysis) and non-linear (uniform manifold approximation and projection) methods. These approaches were rigorously compared using a machine-learning pipeline approach, training linear, Gaussian process, and random forest regression models and quantifying performance using cross-validation as well as a held-out test set. An artificial neural network model trained on the raw spectra was also tested. Promising pipelines were fine-tuned via Bayesian hyperparameter optimization using cross-validation loss and training with class-specific weights to counter data set imbalance. The most reliable method for utilizing impedance in this work was the selection of two optimal frequencies through an exhaustive search, resulting in about 2% mean absolute error on test data for both Gaussian process and random forest model architectures. Interrogation of a variety of models reveals critical frequencies of 100 Hz and 103 Hz for this data set, though the optimal set of frequencies is not necessarily intuitive, i.e., the best performing models are not simply those that use impedance at frequencies that have the highest correlation to the relative discharge capacity. The best performing model is an ensemble model, which is able to predict battery capacity with 1.9% mean absolute error for unseen cells using impedance recorded at a variety of temperatures and states-of-charge.

battery↗

DOE OSTI2024

Systematic engineering for production of anti-aging sunscreen compound in Pseudomonas putida

Sunscreen has been used for thousands of years to protect skin from ultraviolet radiation. However, the use of modern commercial sunscreen containing oxybenzone, ZnO, and TiO 2 has raised concerns due to their negative effects on human health and the environment. In this study, we aim to establish an efficient microbial platform for production of shinorine, a UV light absorbing compound with anti-aging properties. First, we methodically selected an appropriate host for shinorine production by analyzing central carbon flux distribution data from prior studies alongside predictions from genome-scale metabolic models (GEMs). We enhanced shinorine productivity through CRISPRi-mediated downregulation and utilized shotgun proteomics to pinpoint potential competing pathways. Simultaneously, we improved the shinorine biosynthetic pathway by refining its design, optimizing promoter usage, and altering the strength of ribosome binding sites. Finally, we conducted amino acid feeding experiments under various conditions to identify the key limiting factors in shinorine production. The study combines meta-analysis of 13 C-metabolic flux analysis, GEMs, synthetic biology, CRISPRi-mediated gene downregulation, and omics analysis to improve shinorine production, demonstrating the potential of Pseudomonas putida KT2440 as platform for shinorine production.

59 BASIC BIOLOGICAL SCIENCES↗

DOE OSTI2025

Studying the Durability of Molybdenum Carbide Aerogel as an Electrocatalyst Support for Proton Exchange Membrane Fuel Cells

Carbon-supported platinum nanoparticles (Pt/C) are currently the state-of-the-art catalyst in proton exchange membrane fuel cells (PEMFCs). Unfortunately, the carbon support lacks the ability to stabilize the metal catalyst, as platinum tends to dissolve and agglomerate, significantly compromising the durability. Herein, we synthesized a ceramic material, molybdenum carbide aerogel (MCAG), and utilized it as a Pt support for PEMFCs, as an alternative for conventional carbon supports. N 2 adsorption and XRD analysis showed that the MCAG possesses a combination of high porosity and a well-defined ceramic crystalline structure. The Pt/MCAG system was studied for its electrocatalytic activity toward ORR in a half-cell and demonstrated satisfactory reaction kinetics and electrochemical active surface area, comparable to the commercial Pt/C. For durability examination, an accelerated stress test (AST) in a single cell was conducted with the Pt/MCAG catalyst at the cathode, following the U.S. DOE electrocatalyst AST protocol. Intermediate polarization curves and cyclic voltammograms were recorded over the course of the AST to monitor the aging process. The results indicated that the MCAG support exhibited superior durability in long-term fuel cell operation compared to a carbon support. The Pt/MCAG system demonstrated stable behavior during the progressive stages of the AST, retaining more than 50% of its initial performance by the end of the test, whereas carbon-supported Pt preserved only 30%.

25 ENERGY STORAGE↗