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All sourcesNASA NTRSDOE OSTI
DOE OSTI2025

Technical Background and Validation Report on the Residential Water Inhalation Risk Calculator Presented in the Risk Assessment Information System

Indoor air quality (IAQ) is critical for human health. Poor IAQ is linked to respiratory issues, cardiovascular diseases, and cancer. Indoor pollutants are emitted by typical household items such as cleaning products, personal care items, building materials, and tap water - an understudied volatile organic compound (VOC) source. This document presents the Residential Water Inhalation Risk Calculator (RWIRC), which estimates daily VOC exposure concentrations from various household water uses, such as showering and dishwashing, to assess exposure risks for the most vulnerable occupant. Integrated into the Risk Assessment Information System (RAIS) and sponsored by the US Department of Energy (DOE), the calculator divides a house into three compartments: shower, bathroom, and other spaces, accounting for daily water usage patterns and calculating VOC concentrations. Exposure data generated using the calculator can assist health assessors in estimating excess lifetime cancer risk (ELCR) and hazard index (HI) from VOC inhalation. Unlike traditional exposure models that utilize Andelman’s constant, the RWIRC continuously assesses variability in VOC concentrations and environmental conditions using differential equations to track VOC concentrations and air exchange between compartments. The calculator also provides unique volatilization fractions for each chemical and appliance, enhancing accuracy of the exposure concentration estimation. The RWIRC is accessible online and allows users to customize parameters (i.e., number of bathrooms, water temperature, and exhaust fan conditions) and input VOC characteristics (i.e., tap water and ambient air concentrations). This document provides a step-by-step guide on implementing the calculator. It also provides comparisons with the ATSDR-SHOWER calculator, using eight VOCs with varying physicochemical properties to reveal differences in algorithms and output concentrations. Simulations also assess how bathroom door positions and exhaust fan usage affect VOC exposure. The calculator results can enhance EPA risk screening levels for inhalation exposure to VOCs from tap water, offering a sophisticated tool for assessing inhalation risks and improving public health protection.

54 ENVIRONMENTAL SCIENCES↗
NASA NTRS1997

Radiation Transport and Shielding for Space Exploration and High Speed Flight Transportation

Transportation of ions and neutrons in matter is of direct interest in several technologically important and scientific areas, including space radiation, cosmic ray propagation studies in galactic medium, nuclear power plants and radiological effects that impact industrial and public health. For the proper assessment of radiation exposure, both reliable transport codes and accurate data are needed. Nuclear cross section data is one of the essential inputs into the transport codes. In order to obtain an accurate parametrization of cross section data, theoretical input is indispensable especially for processes where there is little or no experimental data available. In this grant period work has been done on the studies of the use of relativistic equations and their one-body limits. The results will be useful in choosing appropriate effective one-body equation for reaction calculations. Work has also been done to improve upon the data base needed for the transport codes used in the studies of radiation transport and shielding for space exploration and high speed flight transportation. A phenomenological model was developed for the total absorption cross sections valid for any system of charged and/or uncharged collision pairs for the entire energy range. The success of the model is gratifying. It is being used by other federal agencies, national labs and universities. A list of publications based on the work during the grant period is given below and copies are enclosed with this report.

Maung, Khin Maung↗
DOE OSTI2022

Modeling hepatitis C micro-elimination among people who inject drugs with direct-acting antivirals in metropolitan Chicago

Hepatitis C virus (HCV) infection is a leading cause of chronic liver disease and mortality worldwide. Direct-acting antiviral (DAA) therapy leads to high cure rates. However, persons who inject drugs (PWID) are at risk for reinfection after cure and may require multiple DAA treatments to reach the World Health Organization’s (WHO) goal of HCV elimination by 2030. Using an agent-based model (ABM) that accounts for the complex interplay of demographic factors, risk behaviors, social networks, and geographic location for HCV transmission among PWID, we examined the combination(s) of DAA enrollment (2.5%, 5%, 7.5%, 10%), adherence (60%, 70%, 80%, 90%) and frequency of DAA treatment courses needed to achieve the WHO’s goal of reducing incident chronic infections by 90% by 2030 among a large population of PWID from Chicago, IL and surrounding suburbs. We also estimated the economic DAA costs associated with each scenario. Our results indicate that a DAA treatment rate of >7.5% per year with 90% adherence results in 75% of enrolled PWID requiring only a single DAA course; however 19% would require 2 courses, 5%, 3 courses and <2%, 4 courses, with an overall DAA cost of $325 million to achieve the WHO goal in metropolitan Chicago. We estimate a 28% increase in the overall DAA cost under low adherence (70%) compared to high adherence (90%). Our modeling results have important public health implications for HCV elimination among U.S. PWID. Using a range of feasible treatment enrollment and adherence rates, we report robust findings supporting the need to address re-exposure and reinfection among PWID to reduce HCV incidence.

60 APPLIED LIFE SCIENCES↗
NASA NTRS2021

Peru Health & Air Quality: Land Use Change in the Rapidly Developing Peruvian Amazon and Implications on Zoonotic Disease Incidence

In the Madre de Dios region of the Peruvian Amazon, forests are being cleared for mining, timber harvesting, road construction, and hydroelectric dam development. These rapid land use changes are increasing human presence in previously sparsely populated areas, disrupting ecosystems and increasing the proximity of human settlement to zoonotic disease vectors. Dengue fever and leishmaniasis are two neglected tropical diseases which are prevalent in Madre de Dios and have been associated with urbanization and road construction. In partnership with the Peruvian Ministries of Health (MINSA) and the Environment (MINAM) and other in-country collaborators, our team examined Land Use Land Cover (LULC) correlations with reported dengue and leishmaniasis incidence in the Madre de Dios region to help partners understand the spatial relationship between land use change and zoonotic disease incidence. We created a LULC classification script using Google Earth Engine with Landsat 5 Thematic Mapper and Landsat 8 Operational Land Imager imagery to classify land cover in 2010, 2015, and 2020 and evaluate changes over this time period. We then used the quantified results of the LULC assessment in conjunction with reported disease cases to evaluate correlations between disease incidence and key land cover changes across Madre de Dios’s 11 districts. In the second term, the team will use these products to develop more detailed disease incidence risk maps and models. High risk areas will then be classified, using PeruSat-1 that allow for even higher resolution mapping at less than 3 meters. These products will allow the partners to understand hotspots of land cover change in Peru and the relationship with outbreaks to inform public health decision making and environmental policy.

Elizabeth Stapleton↗
NASA NTRS2022

Guatemala and Panama Urban Development: Evaluating the Effects of Urban Expansion on Social and Environmental Vulnerability in Guatemala and Panama

Central America is experiencing rapid and unregulated urban expansion, which is contributing to an increase in socioeconomic and environmental risks including inequities in infrastructure and housing accessibility, biodiversity loss, vulnerability to natural disasters, and negative health outcomes. NASA DEVELOP, in partnership with NASA SERVIR, Sistema de la Integración Centroamericana (SICA), Secretariat of Central American Social Integration (SISCA), Deutsche Gesellschaft für Internationale Zusammenarbeit (GIZ), and Centro de Coordinación para la Prevención de los Desastres en América Central y República Dominicana (CEPRENEDAC), examined changes in urban extent, characterized roofing material type, and analyzed vulnerability within urban areas in two Central American cities, Guatemala City and Panama City. The team used land cover imagery from Landsat 5 Thematic Mapper (TM), Landsat 7 Enhanced Thematic Mapper Plus (ETM+), Landsat 8 Operational Land Imager (OLI), and Landsat 9 OLI-2 to map urban extent, and surface reflectance data from Maxar Worldview to identify roofing material types. Socioeconomic and environmental data were used to assess vulnerability. Results depict how the two cities have expanded from 2000 to present day and highlight areas of greatest vulnerability within each urban area. The supervised classification of roofing materials performed well but could be improved with a few enhancements. Findings can help partner organizations improve monitoring of urbanization and inform their planning and decision-making while prioritizing disaster prevention, public health, and environmental integrity. Additionally, these case studies can be used to inform future, similar work elsewhere in Central America to aid in understanding urbanization and its associated challenges.

Jennifer Ruiz↗
DOE OSTI2021

Pathways of China's PM 2.5 air quality 2015–2060 in the context of carbon neutrality

Clean air policies in China have substantially reduced particulate matter (PM 2.5 ) air pollution in recent years, primarily by curbing end-of-pipe emissions. However, reaching the level of the World Health Organization (WHO) guidelines may instead depend upon the air quality co-benefits of ambitious climate action. Here, we assess pathways of Chinese PM 2.5 air quality from 2015 to 2060 under a combination of scenarios that link global and Chinese climate mitigation pathways (i.e. global 2°C- and 1.5°C-pathways, National Determined Contributions (NDC) pledges and carbon neutrality goals) to local clean air policies. We find that China can achieve both its near-term climate goals (peak emissions) and PM 2.5 air quality annual standard (35 μg/m3) by 2030 by fulfilling its NDC pledges and continuing air pollution control policies. However, the benefits of end-of-pipe control reductions are mostly exhausted by 2030, and reducing PM 2.5 exposure of the majority of the Chinese population to below 10 μg/m 3 by 2060 will likely require more ambitious climate mitigation efforts such as China's carbon neutrality goals and global 1.5°C-pathways. Our results thus highlight that China's carbon neutrality goals will play a critical role in reducing air pollution exposure to the level of the WHO guidelines and protecting public health.

54 ENVIRONMENTAL SCIENCES↗
DOE OSTI2022

U.S. Department of Energy: National Virtual Biotechnology Laboratory (Technical Report)

With funding from the CARES Act, the U.S Department of Energy (DOE) established the National Virtual Biotechnology Laboratory (NVBL) in March 2020 to address key challenges associated with the COVID-19 crisis. The NVBL brought together the broad scientific and technical expertise and resources of DOE’s 17 national laboratories to help tackle medical supply shortages, discover potential drugs to fight the virus, develop and validate COVID-19 testing methods, model disease spread and impact across the nation, and understand virus transport in buildings and the environment. National laboratory resources leveraged for this effort include a suite of world-leading user facilities broadly available to the research community, such as light and neutron sources, nanoscale science research centers, sequencing and biocharacterization facilities, and high-performance computing facilities. As part of the NVBL framework, DOE rapidly assembled five project teams to (1) identify new targets for medical therapeutics; (2) develop innovations in testing capabilities; (3) provide epidemiological and logistical support; (4) understand viral fate and transport in the environment; and (5) address supply chain bottlenecks by harnessing extensive additive manufacturing capabilities. Each research team was charged with defining high-impact projects that could be completed in a 6-month sprint while coordinating their developments with academia, other government agencies, and the private sector. Within months, NVBL teams used DOE’s high-performance computers and light and neutron sources to identify promising candidates for antibodies and antivirals that universities and drug companies are now evaluating. NVBL researchers also developed new diagnostic targets and sample collection approaches, and supported efforts by the U.S. Food and Drug Administration, Centers for Disease Control and Prevention, and U.S. Department of Defense to establish national guidelines used in administering millions of tests. Researchers used artificial intelligence and high-performance computing to produce near-real-time data analysis to forecast disease transmission, stress on public health infrastructure, and economic impact, which supported decision-makers at the local, state, and national levels. To minimize virus uptake and protect human health, NVBL teams studied how to control indoor virus movement. Researchers also produced innovations in materials and advanced manufacturing that mitigated shortages in test kits and personal protective equipment, creating nearly 1,000 new jobs. Through its NVBL framework, DOE has contributed significantly to the nation’s COVID response, demonstrating in only a few months the critical impact of its national laboratories. NVBL’s accomplishments demonstrate not only the powerful resource represented by DOE’s national laboratories working together to meet national needs, but also the effectiveness of the integrated NVBL framework for rapidly responding to emergencies with research and development solutions. Going forward, the NVBL is poised to apply the unique capabilities and expertise of the national laboratory complex to future national and international emergencies, both natural and engineered. Through this framework, DOE will continue to be an integral component of agency-wide efforts to prepare for and respond to biorisks and other crises. This technical report describes the goals, progress, and results of NVBL’s five project teams—Molecular Design for COVID-19 Therapeutics, COVID-19 Testing, Epidemiological Modeling, Viral Fate and Transport, and Materials and Manufacturing of Critical Supplies—and lists each team’s publications and research output.

42 ENGINEERING↗
NASA NTRS2015

Heat-Related Mortality Projections for Cardiovascular and Respiratory Disease Under the Changing Climate in Beijing, China

Because heat-related health effects tend to become more serious at higher temperatures, there is an urgent need to determine the mortality projection of specific heat-sensitive diseases to provide more detailed information regarding the variation of the sensitivity of such diseases. In this study, the specific mortality of cardiovascular and respiratory disease in Beijing was initially projected under five different global-scale General Circulation Models (GCMs) and two Representative Concentration Pathways scenarios (RCPs) in the 2020s, 2050s, and 2080s compared to the 1980s. Multi-model ensembles indicated cardiovascular mortality could increase by an average percentage of 18.4 percent, 47.8 percent, and 69.0 percent in the 2020s, 2050s, and 2080s under RCP 4.5, respectively, and by 16.6 percent, 73.8 percent and 134 percent in different decades respectively, under RCP 8.5 compared to the baseline range. The same increasing pattern was also observed in respiratory mortality. The heat-related deaths under the RCP 8.5 scenario were found to reach a higher number and to increase more rapidly during the 21st century compared to the RCP4.5 scenario, especially in the 2050s and the 2080s. The projection results show potential trends in cause-specific mortality in the context of climate change, and provide support for public health interventions tailored to specific climate-related future health risks.

health↗
DOE OSTI2025

A Sensitive Electrochemical Cholinesterase-Inhibiting Biosensor for Organophosphorus Pesticides Based on Ti 3 C 2 TX MXene Quantum Dots

Organophosphorus pesticides (OPs) pose significant environmental and health risks due to their widespread use and toxicity, primarily by inhibiting acetylcholinesterase. Traditional detection methods are often slow and costly, highlighting the urgent need for advanced, sensitive, and accessible technologies. This study developed a highly sensitive electrochemical cholinesterase-inhibiting biosensor for OP pesticides, utilizing Ti 3 C 2 T x MXene Quantum Dots (MQDs), which was synthesized via a hydrothermal method. The biosensor’s performance was characterized using electrochemical impedance spectroscopy, differential pulse voltammetry (DPV), and cyclic voltammetry. DPV proved to be the optimal technique, exhibiting an ultralow detection limit of 1 × 10 −17 M and a wide linear range (10 −14 –10 −8 M) for chlorpyrifos (a model OP) with an estimated inhibition constant of 62 nM. The biosensor demonstrated high selectivity for OPs (chlorpyrifos, acephate, glyphosate) over a non-target pyrethroid (permethrin), confirmed by distinct electrochemical signatures and compared to in vitro cholinergic activity assays in bean beetle homogenates. The enhanced performance is attributed to the high surface-to-volume ratio, quantum confinement effects, and superior conductivity of the MQDs, as well as the robust enzyme immobilization facilitated by glutaraldehyde cross-linking and a chitosan matrix. This work presents a promising platform for rapid, sensitive, and selective detection of OP pesticides, with potential applications in environmental monitoring and public health protection.

Chemistry↗
DOE OSTI2025

Increasing Mosquito Abundance Under Global Warming

Mosquitoes are a key virus vector that poses significant health threats globally, affecting 700 million individuals and causing 1 million deaths annually. Accurately predicting mosquito abundance and dispersion remains a challenge. Complex interactions between mosquito dynamics and various environmental factors, notably hydrology, contribute to this challenge. Existing models typically focus on precipitation and temperature and often overlook further impacts of hydrological variables within mosquito modeling. In this study, we developed an artificial intelligence‐based model for mosquito dynamics, explicitly accounting for different hydrological variables, such as precipitation, soil moisture and streamflow. Using Toronto, Canada, as a case study, we identified causal relationships between changes in mosquito populations, hydrological factors, vegetation (e.g., leaf area index), and climate variables (e.g., daylight length, precipitation, and temperature). We embedded these relationships into a Long Short‐Term Memory (LSTM) Neural Network Model capable of accurately detecting mosquito dynamics across annual, seasonal, and monthly time scales. The LSTM is able to explain, on average, approximately 40% of the variance in the observed mosquito abundance data. Using the calibrated model, we predicted that the summer season mosquito abundance would increase by ∼16% and ∼19% under an intermediate greenhouse emission scenario, Shared Socioeconomic Pathway (SSP) 2–4.5, and a high greenhouse emission scenario, SSP5‐8.5, respectively. We expect that this model can serve as a valuable tool and inform science‐based decisions affecting mosquito dynamics and public health. It can also build a foundation for future risk analysis at the regional and larger scales.

54 ENVIRONMENTAL SCIENCES↗
NASA NTRS2011

Use of Remote Sensing/Geographical Information Systems (RS/GIS) to Identify the Distributional Limits of Soil-Transmitted Helminths (STHs) and Their Association to Prevalence of Intestinal Infection in School-Age Children in Four Rural Communities in Boaco, Nicaragua

STHs can infect all members of a population but school-age children living in poverty are at greater risk. Infection can be controlled with drug treatment, health education and sanitation. Helminth control programs often lack resources and reliable information to identify areas of highest risk to guide interventions and to monitor progress. Objectives: To use RS/GIS to identify the environmental variables that correlate with the ecology of STHs and with the prevalence of STH infections. Methods: Geo-referenced in situ prevalence data will be overlaid over an ecological map derived from the RS environmental data using ESRI s ArcGIS 9.3. Prevalence data and RS environmental data matching at the same geographical location will be analyzed for correlation and those RS environmental variables that better correlate with prevalence data will be included in a multivariate regression model. Temperature, vegetation, and distance to bodies of water will be inferred using data from the Moderate-Resolution Imaging Spectroradiometer (MODIS) onboard the Terra and Aqua satellites, and Thematic Mapper (TM) and Enhance Thematic Mapper Plus (ETM+) satellite sensors onboard Landsat 5 and Landsat 7 respectively. Elevation will be estimated with data from The Shuttle Radar Topography Mission (SRTM). Prevalence and intensity of infections will be determined by parasitological survey (Kato Katz) of children enrolled in rural schools in Boaco, Nicaragua, in the communities of El Roblar, Cumaica Norte, Malacatoya 1, and Malacatoya 2). Expected Results: Associations between RS environmental data and prevalence in situ data will be determined and their applications to public health will be discussed. Discussion/Conclusions: The use of RS/GIS data to predict the prevalence of STH infections could be useful for helminth control programs, providing improved geographical guidance of interventions while increasing cost-effectiveness. Learning Objectives: (1) To identify the RS environmental variables that can help predict the prevalence of STH infections. (2) To understand potential applications of RS/GIS to national helminth control programs. (3) To asses the applicability of RS/GIS to control STH infections.

Moreno, Max J.↗
DOE OSTI2023

International Benchmarking: A Global Perspective of Workplace Drug and Alcohol Testing

Workplace drug and alcohol testing has been widely implemented in diverse industries and is designed to detect the use of and deter the influence of legal and illegal substances that would impair the ability to perform work that has significant security and safety implications. Across the globe, patterns of drug and alcohol use and abuse and the regulations controlling drug and alcohol use vary by location (e.g., regions, countries, etc.). The prevalence of workplace drug and alcohol testing and protection of individuals’ rights in the workplace similarly tend to exhibit contextual differences. With the advancements in drug-testing technologies and the recent issuance of guidance for additional testing matrices (e.g., oral fluid, hair, etc.) by the U.S. Department of Health and Human Services, gaining a global perspective on the current state of drug and alcohol testing practices and regulations is important for leveraging such advancements to improve the effectiveness of drug and alcohol testing. The U.S. Nuclear Regulatory Commission (NRC) tasked the Pacific Northwest National Laboratory (PNNL) fitness for duty (FFD) team to conduct a benchmarking analysis of international drug and alcohol testing regulations and programs to identify similarities and differences in workplace testing programs and the basis for any differences. The benchmarking study focuses on a policy analysis and benchmarking metrics comparison among different countries and regions. The policy analysis includes the following three types of relevant international and national policies relevant to drug and alcohol testing in the nuclear industry: 1. National drug and alcohol policy 2. Workplace drug and alcohol testing 3. FFD regulations for Nuclear Power Plants The international drug and alcohol benchmarking metrics focusses on the use of blood, breath, urine, hair, and oral fluid in testing; drug and drug metabolite cutoff values; point-of-collection testing devices; roadside testing methodologies; innovations in drug testing; and the extent of availability of such data. Gaining an understanding of workplace drug and alcohol testing in other countries as well as information about new testing methods, matrices, tools, and technologies that other countries have adopted provides NRC with international comparative information regarding the technical basis for such programs and methods as it relates to the protection of worker and public health and safety.

98 NUCLEAR DISARMAMENT, SAFEGUARDS, AND PHYSICAL P↗
DOE OSTI2022

Dissemination of blaNDM-5 and mcr-8.1 in carbapenem-resistant Klebsiella pneumoniae and Klebsiella quasipneumoniae in an animal breeding area in Eastern China

Animal farms have become one of the most important reservoirs of carbapenem-resistant Klebsiella spp. (CRK) owing to the wide usage of veterinary antibiotics. “One Health”-studies observing animals, the environment, and humans are necessary to understand the dissemination of CRK in animal breeding areas. Based on the concept of “One-Health,” 263 samples of animal feces, wastewater, well water, and human feces from 60 livestock and poultry farms in Shandong province, China were screened for CRK. Five carbapenem-resistant Klebsiella pneumoniae (CRKP) and three carbapenem-resistant Klebsiella quasipneumoniae (CRKQ) strains were isolated from animal feces, human feces, and well water. The eight strains were characterized by antimicrobial susceptibility testing, plasmid conjugation assays, whole-genome sequencing, and bioinformatics analysis. All strains carried the carbapenemase-encoding gene bla NDM-5 , which was flanked by the same core genetic structure (IS 5 - bla NDM-5 - ble MBL - trpF - dsbD -IS 26 -IS Kox3 ) and was located on highly related conjugative IncX3 plasmids. The colistin resistance gene mcr-8.1 was carried by three CRKP and located on self-transmissible IncFII(K)/IncFIA(HI1) and IncFII(pKP91)/IncFIA(HI1) plasmids. The genetic context of mcr-8.1 consisted of IS 903 - orf - mcr-8.1-copR-baeS-dgkA - orf -IS 903 in three strains. Single nucleotide polymorphism (SNP) analysis confirmed the clonal spread of CRKP carrying- bla NDM-5 and mcr-8.1 between two human workers in the same chicken farm. Additionally, the SNP analysis showed clonal expansion of CRKP and CRKQ strains from well water in different farms, and the clonal CRKP was clonally related to isolates from animal farms and a wastewater treatment plant collected in other studies in the same province. These findings suggest that CRKP and CRKQ are capable of disseminating via horizontal gene transfer and clonal expansion and may pose a significant threat to public health unless preventative measures are taken.

Yang, Chengxia↗
DOE OSTI2020

The direct and indirect effects of copper on vector-borne disease dynamics

Metal pollution is a growing concern that affects the health of humans and animals globally. Copper is an essential insect micronutrient required for respiration, pigmentation and oxidative stress protection but can also act as a potentially toxic trace element. While several studies have focused on the negative fitness effects of copper on the aquatic larvae of mosquitoes, the effects of larval copper exposure on adult mosquito fitness (i.e., survival and fecundity) and their ability to transmit parasites (i.e., vector competence) remains unclear. Here, using a well-studied model vector-parasite system, the mosquito Aedes aegypti and parasite Dirofilaria immitis, we show that sublethal copper exposure in larval mosquitoes alters adult female fecundity and vector competence. Specifically, mosquitoes exposed to copper had a hormetic fecundity response and mosquitoes exposed to 600 μg/L of copper had significantly fewer infective parasite larvae than control mosquitoes not exposed to copper. Therefore, exposure of mosquito larvae to copper levels far below EPA-mandated safe drinking water limits (1300 μg/L) can impact vector-borne disease dynamics not only by reducing mosquito abundance (through increased larval mortality), but also by reducing parasite transmission risk. Our results also demonstrated that larval copper is retained through metamorphosis to adulthood in mosquitoes, indicating that these insects could transfer copper from aquatic to terrestrial foodwebs, especially in urban areas where they are abundant. To our knowledge this is the first study to directly link metal exposure with vector competence (i.e., ability to transmit parasites) in any vector-parasite system. Additionally, it also demonstrates unequivocally that mosquitoes can transfer contaminants from aquatic to terrestrial ecosystems. These results have broad implications for public health because they directly linking contaminants and vector-borne disease dynamics, as well as linking mosquitoes and contaminant dynamics.

54 ENVIRONMENTAL SCIENCES↗
DOE OSTI2022

Impacts of phase state and water content on secondary organic aerosol formation and partitioning (Final Technical Report)

Secondary organic aerosols (SOA) account for a major fraction of particulate matter in the atmosphere, affecting climate, air quality, and public health. SOA formation and evolution are highly complex processes involving both chemical reactions and transport of molecules in air, at particle surfaces, and within particles. The state of the matter, or “phase state,” comprising SOA can vary from a liquid, over an amorphous semi-solid, to a glassy solid, depending on chemical composition, water content, relative humidity (RH), and temperature. The occurrence of glassy and amorphous semi-solid states can pose limitations on the rate of transport of molecules, affecting gas-particle interactions and challenging the treatment of SOA in atmospheric models. The objective of this project was to improve fundamental understanding of the interplay of the phase state of particles and water content on the evolution of SOA formation. We have developed a method to estimate the glass transition temperature (T g ) of organic compounds to predict the phase state and viscosity of SOA. This method has been applied to high resolution mass spectrometry data of various types of SOA, achieving a good agreement with viscosity measurements. In addition, the viscosity estimation method was implemented into a regional model CMAQ to simulate diel and seasonal variations of SOA phase state over the U.S. Applying kinetic multilayer modeling, we analyzed laboratory experiments and ARM field measurements (e.g., HI-SCALE) on kinetic limitations of amine uptake. We have also conducted numerical simulations to estimate equilibration timescales of SOA partitioning. Overall, we have evaluated the impacts of phase state and water content on SOA lifecycle that should contribute to reducing the uncertainty of SOA representation in regional climate and air quality predictions. The project has yielded 17 publications, in which DE-SC0018349 is explicitly acknowledged. Please see the list of publications as below, followed by summary of research activities.

54 ENVIRONMENTAL SCIENCES↗
DOE OSTI2025

Unraveling the Hsp70-ROS-autophagy axis in pentachlorophenol-challenged lung and liver epithelial cells

Pentachlorophenol (PCP) was extensively utilized as an organochlorine pesticide and wood preservative in the United States from the 1930s until the Environmental Protection Agency (EPA) imposed restrictions due to concerns about its toxicity and potential carcinogenic properties. Although it is no longer widely used, PCP remains a concern due to its environmental persistence and potential for long-term health effects. Significant occupational and environmental exposures have likely occurred, with the health and economic costs of PCP exposure potentially being substantial given its known toxicity. Notably, PCP exhibits rapid absorption through both the skin and respiratory system and has been shown to cause hepatotoxicity, developmental toxicity, immunotoxicity, irritation, and carcinogenicity in laboratory animal studies. PCP exposure induces oxidative stress, a key mechanism underlying its inflammatory and toxic effects, which can activate cellular stress responses including upregulation of heat shock protein 70 (Hsp70). Previous studies in lung and liver epithelial cells have shown that Hsp70 and oxidative stress play pivotal roles in triggering autophagy. This study establishes the critical role of the Hsp70-reactive oxygen species (ROS)-autophagy axis in regulating cellular responses to PCP exposure in human alveolar (A549) and liver carcinoma (HepG2) epithelial cells. Our research elucidated the molecular mechanisms underlying PCP's cellular effects, demonstrating that its exposure resulted in increased expression of autophagy-related proteins (Beclin-1, LC3B, ATG12, and ATG16), subunits of NADPH oxidase (NCF-1, NCF-2, NOX2, and Rac), and antioxidant proteins (SOD and GPx) in both lung and liver cell types. Notably, PCP augmented the interaction between Hsp70 and the autophagy regulator Beclin-1. Pretreatment with the ROS inhibitor N-acetylcysteine or Hsp70 knockdown markedly reversed PCP-induced responses. Our in-silico protein–protein docking analysis and molecular dynamics simulation studies revealed enhanced interactions and/or stable confirmations maintained throughout the simulations for TLR4-Hsp70 and Hsp70-Beclin-1 complexes in the presence of PCP. These findings provide a strong foundation for future studies, employing in vivo experimental models and human populations to identify promising targets for PCP-induced toxicity and cellular injury. As a result, these findings may have far-reaching implications for public health and environmental policy, ultimately leading to the identification of biomarkers and the development of more effective interventions for environmentally induced toxicity and diseases.

97 MATHEMATICS AND COMPUTING↗
NASA NTRS2014

From Earth to Space: Application of Biological Treatment for the Removal of Ammonia from Water

Managing ammonia is often a challenge in both drinking water and wastewater treatment facilities. Ammonia is unregulated in drinking water, but its presence may result in numerous water quality issues in the distribution system such as loss of residual disinfectant, nitrification, and corrosion. Ammonia concentrations need to be managed in wastewater effluent to sustain the health of receiving water bodies. Biological treatment involves the microbiological oxidation of ammonia to nitrate through a two‐step process. While nitrification is common in the environment, and nitrifying bacteria can grow rapidly on filtration media, appropriate conditions, such as the presence of dissolved oxygen and required nutrients, need to be established. This presentation will highlight results from two ongoing research programs - one at NASA's Johnson Space Center, and the other at a drinking water facility in California. Both programs are designed to demonstrate nitrification through biological treatment. The objective of NASA's research is to be able to recycle wastewater to potable water for spaceflight mission. To this end, a biological water processor (BWP) has been integrated with a forward osmosis secondary treatment system (FOST). Bacteria mineralize organic carbon to carbon dioxide as well as ammonia‐nitrogen present in the wastewater to nitrogen gas, through a combination of nitrification and denitrification. The effluent from the BWP system is low in organic contaminants, but high in total dissolved solids. The FOST system, integrated downstream of the BWP, removes dissolved solids through a combination of concentration‐driven forward osmosis and pressure driven reverse osmosis. The integrated system testing planned for this year is expected to produce water that requires only a polishing step to meet potable water requirements for spaceflight. The pilot study in California is being conducted on Golden State Water Company's Yukon wellsthat have hydrogen sulfide odor, color, total organic carbon, bromide, iron and manganese in addition to ammonia. A treatment evaluation, conducted in 2011, recommended the testing of biological oxidation filtration for the removal of ammonia and production of biologically stable water. A 8‐month pilot testing program was conducted to develop and optimize key design and operational variables. Steadystate operational data was collected to demonstrate long‐term performance and inform California Department of Public Health permitting of the full‐scale process. As ammonia continues to present challenges to water and wastewater systems, innovative strategies such as biological treatment can be applied to successfully manage it. This presentation will discuss application of cutting‐age research being conducted by NASA that will bridge existing information gaps, and benefit municipal utilities.

Ghosh, Amlan↗
NASA NTRS2014

From Earth to Space: Application of Biological Treatment for the Removal of Ammonia from Water

Managing ammonia is often a challenge in both drinking water and wastewater treatment facilities. Ammonia is unregulated in drinking water, but its presence may result in numerous water quality issues in the distribution system such as loss of residual disinfectant, nitrification, and corrosion. Ammonia concentrations need to be managed in wastewater effluent to sustain the health of receiving water bodies. Biological treatment involves the microbiological oxidation of ammonia to nitrate through a two‐step process. While nitrification is common in the environment, and nitrifying bacteria can grow rapidly on filtration media, appropriate conditions, such as the presence of dissolved oxygen and required nutrients, need to be established. This presentation will highlight results from two ongoing research programs - one at NASA's Johnson Space Center, and the other at a drinking water facility in California. Both programs are designed to demonstrate nitrification through biological treatment. The objective of NASA's research is to be able to recycle wastewater to potable water for spaceflight missions. To this end, a biological water processor (BWP) has been integrated with a forward osmosis secondary treatment system (FOST). Bacteria mineralize organic carbon to carbon dioxide as well as ammonia‐nitrogen present in the wastewater to nitrogen gas, through a combination of nitrification and denitrification. The effluent from the BWP system is low in organic contaminants, but high in total dissolved solids. The FOST system, integrated downstream of the BWP, removes dissolved solids through a combination of concentration‐driven forward osmosis and pressure driven reverse osmosis. The integrated system testing planned for this year is expected to produce water that requires only a polishing step to meet potable water requirements for spaceflight. The pilot study in California is being conducted on Golden State Water Company's Yukon wells that have hydrogen sulfide odor, color, total organic carbon, bromide, iron and manganese in addition to ammonia. A treatment evaluation, conducted in 2011, recommended the testing of biological oxidation filtration for the removal of ammonia and production of biologically stable water. An 8‐month pilot testing program was conducted to develop and optimize key design and operational variables. Steadystate operational data was collected to demonstrate long‐term performance and inform California Department of Public Health permitting of the full‐scale process. As ammonia continues to present challenges to water and wastewater systems, innovative strategies such as biological treatment can be applied to successfully manage it. This presentation will discuss application of cutting‐age research being conducted by NASA that will bridge existing information gaps, and benefit municipal utilities.

Pickering, Karen↗