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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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87 records · Page 5
All sourcesNASA NTRSDOE OSTI
DOE OSTI2021

Aerosol transport pathways and source attribution in China during the COVID-19 outbreak

Abstract. Due to the coronavirus disease 2019 (COVID-19) pandemic, human activities and industrial productions were strictly restricted during January–March 2020 in China. Despite the fact that anthropogenic aerosol emissions largely decreased, haze events still occurred. Characterization of aerosol transport pathways and attribution of aerosol sources from specific regions are beneficial to air quality and pandemic control strategies. This study establishes source–receptor relationships in various regions covering all of China during the COVID-19 outbreak based on the Community Atmosphere Model version 5 with Explicit Aerosol Source Tagging (CAM5-EAST). Our analysis shows that PM2.5 burden over the North China Plain between 30 January and 19 February is mostly contributed by local emissions (40 %–66 %). For other regions in China, PM2.5 burden is largely contributed from nonlocal sources. During the most polluted days of the COVID-19 outbreak, local emissions within the North China Plain and eastern China contributed 66 % and 87 % to the increase in surface PM2.5 concentrations, respectively. This is associated with the anomalous mid-tropospheric high pressure at the location of the climatological East Asia trough and the consequently weakened winds in the lower troposphere, leading to the local aerosol accumulation. The emissions outside China, especially those from South Asia and Southeast Asia, contribute over 50 % to the increase in PM2.5 concentration in southwestern China through transboundary transport during the most polluted day. As the reduction in emissions in the near future is desirable, aerosols from long-range transport and unfavorable meteorological conditions are increasingly important to regional air quality and need to be taken into account in clean-air plans.

54 ENVIRONMENTAL SCIENCES↗
DOE OSTI2021

Excess deaths reveal unequal impact of COVID-19 in Ecuador

Latin America has struggled to control the transmission of COVID-19. Comparison of excess death (ED) rates during the pandemic reveals that Ecuador is among the highest impacted countries. In this analysis, we update our previous findings with the most complete all-cause mortality records available for 2020, disaggregated by sex, age, ethnicity and geography. Our study shows that in 2020, Ecuador had a 64% ED rate (95% CI 63% to 65%) or 64% more deaths than expected. Men had a higher ED rate, 75% (95% CI 73% to 76%), than women’s 51% (95% CI 49% to 52%), and this pattern of higher EDs for men than women held for most age groups. The only exception was the 20–29 age group, where women had 19% more deaths, compared to 10% more deaths for men, but that difference is not statistically significant. The analysis provides striking evidence of the lack of COVID-19 diagnostic testing in Ecuador: the confirmed COVID-19 deaths in 2020 accounted for only 21% of total EDs. Our significant finding is that indigenous populations, who typically account for about 5% of the deaths, show almost four times the ED rate of the majority mestizo group. Indigenous women in each age group have higher ED rates than the general population and, in ages between 20 and 49 years, they have higher ED rates than indigenous men. Indigenous women in the age group 20–29 years had an ED rate of 141%, which is commensurate to the ED rate of indigenous women older than 40 years.

60 APPLIED LIFE SCIENCES↗
DOE OSTI2020

Validation of pooling strategies of clinical COVID-19 samples for more efficient diagnostic testing

Pooling of COVID-19 clinical samples can offer significant reduction in reagents, time, and labor needed to test large numbers of clinical samples. Especially for testing asymptomatic and return-towork/ school cases, where the prevalence of COVID-19 may be relatively low, large groups of clinical samples can be classified as negative with a single test, with no need to test every sample individually. LANL has performed validation for two different pooling strategies to assess diagnostic assay sensitivity in pooled samples compared to the clinical positive sample alone. (1) Pooling study - Determine diagnostic assay sensitivity in pooled samples with ratios of 1:5, 1:10, 1:20, and 1:30 positive to negative clinical samples. (2) Reloading study - Determine diagnostic assay sensitivity in reloading of multiple clinical samples through a Qiagen column in 5x, 10, and 20x sample volumes (1 positive plus 4, 9, and 19 negative samples).

59 BASIC BIOLOGICAL SCIENCES↗
DOE OSTI2023

Preface to “From Coadsorption and Catalysis at Solid Surfaces to Liquid–Solid Interfaces in Theory and Experiment, Published in Honor of Professor Robert K. Grasselli, Irsee IX Symposium Kloster Irsee, Germany 16–19 June 2022 (Irsee IX)”

The 9th Irsee Symposium entitled “From Coadsorption and Catalysis at Solid Surfaces to Liquid–Solid Interfaces in Theory and Experiment”, sponsored by the Robert Karl Grasselli Foundation, took place at its traditional venue, the Schwäbisches Bildungszentrum in Irsee, Germany, on 16–19 June 2022. In the Irsee Symposium, selected experts gather every few years to discuss recent progress, challenges, new directions, and frontiers in catalysis. Furthermore, after the moratorium imposed on us by Covid-19, all the participants especially enjoyed the lively meeting and face-to-face interactions.

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

High-throughput virtual laboratory for drug discovery using massive datasets

Time-to-solution for structure-based screening of massive chemical databases for COVID-19 drug discovery has been decreased by an order of magnitude, and a virtual laboratory has been deployed at scale on up to 27,612 GPUs on the Summit supercomputer, allowing an average molecular docking of 19,028 compounds per second. Over one billion compounds were docked to two SARS-CoV-2 protein structures with full optimization of ligand position and 20 poses per docking, each in under 24 hours. GPU acceleration and high-throughput optimizations of the docking program produced 350× mean speedup over the CPU version (50× speedup per node). GPU acceleration of both feature calculation for machine-learning based scoring and distributed database queries reduced processing of the 2.4 TB output by orders of magnitude. The resulting 50× speedup for the full pipeline reduces an initial 43 day runtime to 21 hours per protein for providing high-scoring compounds to experimental collaborators for validation assays.

97 MATHEMATICS AND COMPUTING↗
DOE OSTI2023

The use of analgesics for intentional self-poisoning: Trends in U.S. poison center data

In the U.S., intentional self-poisonings with analgesics that are available without a prescription increased from 2000 to 2018. Given concerns regarding mental health outcomes during the COVID-19 pandemic, we examined and compared trends in pediatric and adult intentional self-poisoning with acetaminophen, aspirin, ibuprofen, and naproxen from 2016 to 2021 using the National Poison Data System (NPDS) to see if these trends have continued. We extracted annual case counts of all suspected suicide attempts from intentional poisoning, and of suspected suicide attempts resulting in major effects or death, from the NPDS for non-prescription single ingredient adult formulation acetaminophen, non-prescription single ingredient adult formulation aspirin, single ingredient formulation ibuprofen, and single ingredient formulation naproxen. We enumerated the cases by year, age, and gender. Most cases of intentional self-poisoning within the review period involved acetaminophen and ibuprofen and the 13–19-year-olds constituted the highest proportion of intentional self-poisoning cases across age groups for all four analgesics. Cases involving females predominated cases involving males by 3:1 or greater. Here, the 13–19-year-old age group also represented the largest proportion of cases that resulted in major clinical effects or deaths. An increasing trend in suicide poisoning cases with acetaminophen and ibuprofen was observed in the 6-19-years age group and this trend appeared to exacerbate from 2020 to 2021 corresponding with the start of the COVID-19 pandemic period.

60 APPLIED LIFE SCIENCES↗
DOE OSTI2021

Delivering Effective Virtual Energy-Focused Trainings: Successful Strategies and Lessons Learned from the Virtual Cohort In-Plant Training Pilot

While there are always barriers to energy efficiency efforts, few challenges have been as severe as the global COVID-19 pandemic. Many manufacturers throughout the United States and the world have been trying to determine how to safely open and operate their plants. To minimize the number of people working within facilities and maximize the physical distance between workers, only essential facility engineers are allowed into plants to ensure proper operations. The Department of Energy’s Better Plants Program created In-Plant Trainings (INPLTs) to help partners develop in-house expertise in energy efficiency. Delivering INPLTs in the traditional in-person fashion is infeasible under these circumstances. To continue providing INPLTs during this difficult time, the Better Plants Program piloted Virtual Cohort In-Plant Trainings (VINPLTs) on wastewater treatment and ammonia industrial refrigeration systems from October 27 to November 19, 2020. This paper provides an overview of the pilot, then discusses successful strategies and lessons learned from this pilot for delivering effective virtual energy-focused trainings.

32 ENERGY CONSERVATION, CONSUMPTION, AND UTILIZATI↗
DOE OSTI2025

An Extension Industrial Assessment Center in Eastern Great Lakes Region

The extension IAC at CWRU is funded for 3 years to conduct 10 assessments of small and medium-sized manufacturing facilities each year in Eastern Great Lakes region. Total 30 assessments was proposed in the SOPO but due to the Covid-19 pandemic, the IAC program was suspended for 1.5 years. A total of 20 assessments was contracted to the extension IAC at CWRU which have been successfully accomplished. In the proposal, we proposed to train 18 students in the extension IAC program, and actually we selected and trained 19 students even though the IAC project was suspended during half of its project period.

42 ENGINEERING↗
DOE OSTI2021

The Wonders of Physics -- Public Outreach (Final Technical Report)

The mission of The Wonders of Physics (TWoP) outreach program is to generate interest in physics among people of all ages and backgrounds. The objective is to generate interest in physics, increase appreciation for the significance of physics in our lives, and encourage children to consider careers in science and plasma physics. The primary means for achieving that objective is to make entertaining presentations to audiences that would not normally be motivated to attend a lecture on physics or plasmas, while at the same time introducing some of the fundamental concepts and applications. During this reporting period, the students Michael Hall, Megan Tabbutt and Connor Sullivan, Director of Communications Sarah Perdue, Director of Undergraduate Program Jim Reardon, and Senior Information Processing Consultant Paul Wilhite worked to make outreach programs a success and prepare for the future of The Wonders of Physics, which will continue. Because of the curtailment of public events due to Covid-19, there will not be an in person Annual Show or Physics Fair in 2021, but a video competition has already been announced and planning continues for The Wonders of Physics in 2022 and beyond. The annual shows and Physics Fair are scheduled for February 12-13 and February 19-20, 2022. These continue to be our premier outreach events, engaging diverse audiences in real hands-on science. Further shows and exploration stations are planned.

70 PLASMA PHYSICS AND FUSION TECHNOLOGY↗
DOE OSTI2023

Quantification of oil and gas methane emissions in the Delaware and Marcellus basins using a network of continuous tower-based measurements

Abstract. According to the United States Environmental Protection Agency (US EPA), emissions from oil and gas infrastructure contribute 30 % of all anthropogenic methane (CH4) emissions in the US. Studies in the last decade have shown emissions from this sector to be substantially larger than bottom-up assessments, including the EPA inventory, highlighting both the increased importance of methane emissions from the oil and gas sector in terms of their overall climatological impact and the need for independent monitoring of these emissions. In this study we present continuous monitoring of regional methane emissions from two oil and gas basins using tower-based observing networks. Continuous methane measurements were taken at four tower sites in the northeastern Marcellus basin from May 2015 through December 2016 and five tower sites in the Delaware basin in the western Permian from March 2020 through April 2022. These measurements, an atmospheric transport model, and prior emission fields are combined using an atmospheric inversion to estimate monthly methane emissions in the two regions. This study finds the mean overall emission rate from the Delaware basin during the measurement period to be 146–210 Mg CH4 h−1 (energy-normalized loss rate of 1.1 %–1.5 %, gas-normalized rate of 2.5 %–3.5 %). Strong temporal variability in the emissions was present, with the lowest emission rates occurring during the onset of the COVID-19 pandemic. Additionally, a synthetic model–data experiment performed using the Delaware tower network shows that the presence of intermittent sources is not a significant source of uncertainty in monthly quantification of the mean emission rate. In the Marcellus, this study finds the overall mean emission rate to be 19–28 Mg CH4 h−1 (gas-normalized loss rate of 0.30 %–0.45 %), with relative consistency in the emission rate over time. These totals align with aircraft top-down estimates from the same time periods. In both basins, the tower network was able to constrain monthly flux estimates within ±20 % uncertainty in the Delaware and ±24 % uncertainty in the Marcellus. The results from this study demonstrate the ability to monitor emissions continuously and detect changes in the emissions field, even in a basin with relatively low emissions and complex background conditions.

54 ENVIRONMENTAL SCIENCES↗
DOE OSTI2021

DOE Support for the North American meeting of the International Society for Microbial Electrochemistry and Technology

The objective of the North American meeting of the International Society for Microbial Electrochemistry and Technology (NA-ISMET 2021, postponed from 2020 due to COVID-19) was to provide a welcoming space for an interdisciplinary group of researchers, primarily based in North America, to discuss their latest discoveries and innovative ideas on both basic science and applied technology in the field of microbial electrochemistry. After two years of limited travel and research interactions due to COVID-19, an in-person meeting was urgently needed to facilitate conversations and collaborations that help move the field forward. NA-ISMET 2021 was co-organized by Moh El-Naggar from the University of Southern California (USC) and Orianna Bretschger from Aquacycl Inc. The meeting took place on November 17 – 19, 2021 at the Michelson Center for Convergent Biosciences of USC. We hosted a total number of 65 registered participants from across the United States and several international participants. Thanks to the generous support from the Department of Energy, Air Force Office of Scientific Research, Office of Naval Research, the Army Research Office, the ISMET organization, and Gamry Instruments Inc., we were able to waive registration fees for all participants and reduce travel cost for several early-career researchers. The scientific program included 28 talks (16 from early-career researchers) and 24 posters that highlighted recent advances in microbial electrochemistry.

30 DIRECT ENERGY CONVERSION↗
DOE OSTI2020

Development and validation of a 30-day mortality index based on pre-existing medical administrative data from 13,323 COVID-19 patients: The Veterans Health Administration COVID-19 (VACO) Index

Background Available COVID-19 mortality indices are limited to acute inpatient data. Using nationwide medical administrative data available prior to SARS-CoV-2 infection from the US Veterans Health Administration (VA), we developed the VA COVID-19 (VACO) 30-day mortality index and validated the index in two independent, prospective samples. Methods and findings We reviewed SARS-CoV-2 testing results within the VA between February 8 and August 18, 2020. The sample was split into a development cohort (test positive between March 2 and April 15, 2020), an early validation cohort (test positive between April 16 and May 18, 2020), and a late validation cohort (test positive between May 19 and July 19, 2020). Our logistic regression model in the development cohort considered demographics (age, sex, race/ethnicity), and pre-existing medical conditions and the Charlson Comorbidity Index (CCI) derived from ICD-10 diagnosis codes. Weights were fixed to create the VACO Index that was then validated by comparing area under receiver operating characteristic curves (AUC) in the early and late validation cohorts and among important validation cohort subgroups defined by sex, race/ethnicity, and geographic region. We also evaluated calibration curves and the range of predictions generated within age categories. 13,323 individuals tested positive for SARS-CoV-2 (median age: 63 years; 91% male; 42% non-Hispanic Black). We observed 480/3,681 (13%) deaths in development, 253/2,151 (12%) deaths in the early validation cohort, and 403/7,491 (5%) deaths in the late validation cohort. Age, multimorbidity described with CCI, and a history of myocardial infarction or peripheral vascular disease were independently associated with mortality–no other individual comorbid diagnosis provided additional information. The VACO Index discriminated mortality in development (AUC = 0.79, 95% CI: 0.77–0.81), and in early (AUC = 0.81 95% CI: 0.78–0.83) and late (AUC = 0.84, 95% CI: 0.78–0.86) validation. The VACO Index allows personalized estimates of 30-day mortality after COVID-19 infection. For example, among those aged 60–64 years, overall mortality was estimated at 9% (95% CI: 6–11%). The Index further discriminated risk in this age stratum from 4% (95% CI: 3–7%) to 21% (95% CI: 12–31%), depending on sex and comorbid disease. Conclusion Prior to infection, demographics and comorbid conditions can discriminate COVID-19 mortality risk overall and within age strata. The VACO Index reproducibly identified individuals at substantial risk of COVID-19 mortality who might consider continuing social distancing, despite relaxed state and local guidelines.

60 APPLIED LIFE SCIENCES↗
DOE OSTI2021

Models and Processes to Extract Drug-like Molecules From Natural Language Text

Researchers worldwide are seeking to repurpose existing drugs or discover new drugs to counter the disease caused by severe acute respiratory syndrome coronavirus 2 (SARS-CoV-2). A promising source of candidates for such studies is molecules that have been reported in the scientific literature to be drug-like in the context of viral research. However, this literature is too large for human review and features unusual vocabularies for which existing named entity recognition (NER) models are ineffective. We report here on a project that leverages both human and artificial intelligence to detect references to such molecules in free text. We present 1) a iterative model-in-the-loop method that makes judicious use of scarce human expertise in generating training data for a NER model, and 2) the application and evaluation of this method to the problem of identifying drug-like molecules in the COVID-19 Open Research Dataset Challenge (CORD-19) corpus of 198,875 papers. We show that by repeatedly presenting human labelers only with samples for which an evolving NER model is uncertain, our human-machine hybrid pipeline requires only modest amounts of non-expert human labeling time (tens of hours to label 1778 samples) to generate an NER model with an F-1 score of 80.5%—on par with that of non-expert humans—and when applied to CORD’19, identifies 10,912 putative drug-like molecules. This enriched the computational screening team’s targets by 3,591 molecules, of which 18 ranked in the top 0.1% of all 6.6 million molecules screened for docking against the 3CLPro protein.

60 APPLIED LIFE SCIENCES↗
NASA NTRS2022

Charging Experiments and Filtration Testing on Facemask Materials: Towards Goals of Full Performance Restoration of Used N95 Masks and Enhancement of Common-Fabric Facemasks

Different techniques have been developed for sanitizing N95 masks while retaining whatever charge remains on them. However, these sanitizing methods do not address the fact that the electrical charge, filtration efficacy, and breathability of such masks may be expected to degrade during long-term use based on mechanisms known in the literature. In this study, approaches to electrically (re)charging facemask filter materials were explored in response to the COVID-19 induced shortage of N95 masks. The effort consisted of charging experiments followed by filtration testing conducted at the coupon level during a month-long period (May 2020). The main focus of the work was to develop a recharging technique which could eventually be adapted and used as part of a broader full-performance restoration process for used N95 masks, e.g., which might employ simple washing by alcohol or soapy water as a preceding step for sanitization and declogging. Most tested coupons were therefore nonwoven meltblown fibrous polypropylene (PP) filter media extracted from decades old N95 masks. Keeping in mind commonly used cloth facemasks, limited trials were also performed with some commercially available fabrics. Charging was done at elevated temperature and was followed by cooling to freeze in the applied charges produced from corona discharges using different electrode configurations and parameter combinations, or from triboelectric rubbing. Charging was also focused on using potentially scalable equipment, e.g., Van de Graaff generators or consumer ionic hair products. Some degree of success was achieved with one of the fabrics and the PP filter media which was first purposefully discharged to have typical filtration efficiency (FE) of ~35%. Numerous attempts at corona charging discharged media resulted in filtration efficiency (FE) ≥ 80 – 85%. Some measure of charge robustness was also established via stable performance during loading testing. However, results where FE ≥ 90% were not reliably repeatable and no results met the FE ≥ 95% goal due to shortcomings of the charging process. The best three trials for PP media statistically met the FE ≥ 90% criteria, amounted to a small percentage of the trials relying on an ionic hair dryer, and are attributed to good embedding of charges via aerodynamic force. Triboelectric charging significantly enhanced the viability of one of the polyester fabrics –measured FE increased from 19% up to 46% while maintaining a reasonably low pressure drop.

N95↗
DOE OSTI2022

Rare, convergent antibodies targeting the stem helix broadly neutralize diverse betacoronaviruses

Humanity has faced three recent outbreaks of novel betacoronaviruses, emphasizing the need to develop approaches that broadly target coronaviruses. Here, we identify 55 monoclonal antibodies from COVID-19 convalescent donors that bind diverse betacoronavirus spike proteins. Most antibodies targeted an S2 epitope that included the K814 residue and were non-neutralizing. However, 11 antibodies targeting the stem helix neutralized betacoronaviruses from different lineages. Eight antibodies in this group, including the six broadest and most potent neutralizers, were encoded by IGHV1-46 and IGKV3-20. Crystal structures of three antibodies of this class at 1.5–1.75-Å resolution revealed a conserved mode of binding. COV89-22 neutralized SARS-CoV-2 variants of concern including Omicron BA.4/5 and limited disease in Syrian hamsters. Collectively, these findings identify a class of IGHV1-46/IGKV3-20 antibodies that broadly neutralize betacoronaviruses by targeting the stem helix but indicate these antibodies constitute a small fraction of the broadly reactive antibody response to betacoronaviruses after SARS-CoV-2 infection.

60 APPLIED LIFE SCIENCES↗