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At least 991 records · Page 55

AMORE-Isoprene v1.0: a new reduced mechanism for gas-phase isoprene oxidation

Abstract. Gas-phase oxidation of isoprene by ozone (O3) and the hydroxyl (OH) and nitrate (NO3) radicals significantly impacts tropospheric oxidant levels and secondary organic aerosol formation. The most comprehensive and up-to-date chemical mechanism for isoprene oxidation consists of several hundred species and over 800 reactions. Therefore, the computational expense of including the entire mechanism in large-scale atmospheric chemical transport models is usually prohibitive, and most models employ reduced isoprene mechanisms ranging in size from ∼ 10 to ∼ 200 species. We have developed a new reduced isoprene oxidation mechanism using a directed-graph path-based automated model reduction approach, with minimal manual adjustment of the output mechanism. The approach takes as inputs a full isoprene oxidation mechanism, the environmental parameter space, and a list of priority species which are protected from elimination during the reduction process. Our reduced mechanism, AMORE-Isoprene (where AMORE stands for Automated Model Reduction), consists of 12 species which are unique to the isoprene mechanism as well as 22 reactions. We demonstrate its performance in a box model in comparison with experimental data from the literature and other current isoprene oxidation mechanisms. AMORE-Isoprene's performance with respect to predicting the time evolution of isoprene oxidation products, including isoprene epoxydiols (IEPOX) and formaldehyde, is favorable compared with other similarly sized mechanisms. When AMORE-Isoprene is included in the Community Regional Atmospheric Chemistry Multiphase Mechanism 1.0 (CRACMM1AMORE) in the Community Multiscale Air Quality Model (CMAQ, v5.3.3), O3 and formaldehyde agreement with Environmental Protection Agency (EPA) Air Quality System observations is improved. O3 bias is reduced by 3.4 ppb under daytime conditions for O3 concentrations over 50 ppb. Formaldehyde bias is reduced by 0.26 ppb on average for all formaldehyde measurements compared with the base CRACMM1. There was no significant change in computation time between CRACMM1AMORE and the base CRACMM. AMORE-Isoprene shows a 35 % improvement in agreement between simulated IEPOX concentrations and chamber data over the base CRACMM1 mechanism when compared in the Framework for 0-D Atmospheric Modeling (F0AM) box model framework. This work demonstrates a new highly reduced isoprene mechanism and shows the potential value of automated model reduction for complex reaction systems.

58 GEOSCIENCES↗

AMORE-Isoprene v1.0: A New Reduced Mechanism for Gas-Phase Isoprene Oxidation

Gas-phase oxidation of isoprene by ozone (O 3 ) and the hydroxyl (OH) and nitrate (NO 3 ) radicals significantly impacts tropospheric oxidant levels and secondary organic aerosol formation. The most comprehensive and up-to-date chemical mechanism for isoprene oxidation consists of several hundred species and over 800 reactions. Therefore, the computational expense of including the entire mechanism in large-scale atmospheric chemical transport models is usually prohibitive, and most models employ reduced isoprene mechanisms ranging in size from ∼ 10 to ∼ 200 species. We have developed a new reduced isoprene oxidation mechanism using a directed-graph path-based automated model reduction approach, with minimal manual adjustment of the output mechanism. The approach takes as inputs a full isoprene oxidation mechanism, the environmental parameter space, and a list of priority species which are protected from elimination during the reduction process. Our reduced mechanism, AMORE-Isoprene (where AMORE stands for Automated Model Reduction), consists of 12 species which are unique to the isoprene mechanism as well as 22 reactions. We demonstrate its performance in a box model in comparison with experimental data from the literature and other current isoprene oxidation mechanisms. AMORE-Isoprene's performance with respect to predicting the time evolution of isoprene oxidation products, including isoprene epoxydiols (IEPOX) and formaldehyde, is favorable compared with other similarly sized mechanisms. When AMORE-Isoprene is included in the Community Regional Atmospheric Chemistry Multiphase Mechanism 1.0 (CRACMM1AMORE) in the Community Multiscale Air Quality Model (CMAQ, v5.3.3), O 3 and formaldehyde agreement with Environmental Protection Agency (EPA) Air Quality System observations is improved. O 3 bias is reduced by 3.4 ppb under daytime conditions for O 3 concentrations over 50 ppb. Formaldehyde bias is reduced by 0.26 ppb on average for all formaldehyde measurements compared with the base CRACMM1. There was no significant change in computation time between CRACMM1AMORE and the base CRACMM. AMORE-Isoprene shows a 35 % improvement in agreement between simulated IEPOX concentrations and chamber data over the base CRACMM1 mechanism when compared in the Framework for 0-D Atmospheric Modeling (F0AM) box model framework. This work demonstrates a new highly reduced isoprene mechanism and shows the potential value of automated model reduction for complex reaction systems.

Automated Model Reduction↗

Low–severity fire as a mechanism of organic matter protection in global peatlands: Thermal alteration slows decomposition

Worldwide, regularly-recurring wildfires shape many peatland ecosystems to the extent that fire-adapted species often dominate plant communities, suggesting that wildfire is an integral part of peatland ecology rather than an anomaly. The most destructive blazes are smoldering fires that are usually initiated in periods of drought and can combust entire peatland carbon stores. However, peatland wildfires more typically occur as low-severity surface-burns that arise in the dormant season when vegetation is desiccated, and soil moisture is high. In such low-severity fires, surface layers experience flash heating, but there is little loss of underlying peat to combustion. This study examines the potential importance of such processes in several peatlands that span a gradient from hemiboreal to tropical ecozones and experience a wide range of fire return intervals. We show that low-severity fires can increase the pool of stable soil carbon by thermally altering the chemistry of soil organic matter (SOM), thereby reducing rates of microbial respiration. Using XPS and FTIR, we demonstrate that low-severity fires significantly increase the degree of carbon-condensation and aromatization of SOM functional groups, particularly on the surface of peat aggregates. Laboratory incubations show lower CO 2 emissions from peat subjected to low-severity fire, and predict lower cumulative CO 2 emissions from burned peat after one to three years. Also, low-severity fires reduce the temperature sensitivity (Q 10 ) of peat, indicating that these fires can inhibit microbial access to SOM. The increased stability of thermally-altered SOM may allow a greater proportion of organic matter to survive vertical migration into saturated and anaerobic zones of peatlands where environmental conditions physiochemically protect carbon stores from decomposition for thousands of years. Furthermore, across latitudes, low-severity fire is an overlooked factor influencing carbon cycling in peatlands, which is relevant to global carbon budgets as climate-change alters fire regimes worldwide.

54 ENVIRONMENTAL SCIENCES↗

Environmentally-Preferable Launch Coatings

The Ground Systems Development and Operations (GSDO) Program at NASA Kennedy Space Center (KSC), Florida, has the primary objective of modernizing and transforming the launch and range complex at KSC to benefit current and future NASA programs along with other emerging users. Described as the launch support and infrastructure modernization program in the NASA Authorization Act of 2010, the GSDO Program will develop and implement shared infrastructure and process improvements to provide more flexible, affordable, and responsive capabilities to a multi-user community. In support of NASA and the GSDO Program, the objective of this project is to determine the feasibility of environmentally friendly corrosion protecting coatings for launch facilities and ground support equipment (GSE). The focus of the project is corrosion resistance and survivability with the goal to reduce the amount of maintenance required to preserve the performance of launch facilities while reducing mission risk. The project compares coating performance of the selected alternatives to existing coating systems or standards.

ground support equipment↗

Geometric Analysis and Visualization of Maxillofacial Anthropometry

As part of head borne systems, the maxillofacial and mandibular components are critical for Soldier protection in extreme and dynamic conditions. Often this equipment must not only cover the lower face of the wearer, but also accommodate motion of the lower jaw and resultant deformation of the face shape. Although the application is different, head borne equipmentdesigned for astronauts has similarly critical design requirements including comfort and protection from other environmental hazards while allowing for maximum performance. To improve the design of such systems and to ensure adequate accommodation of the user population, NASA Johnson Space Center is collaborating with the U.S. Army’s Development Command Soldier Center (DEVCOM SC) to statistically analyze facial landmark and measurement data from large Soldier anthropometric databases ( ANSUR 1988 and ANSUR II). Anthropometric measurements were incorporated from 5383 males and 3594 females for analysis, including individuals aged 17-58 across a range of races. Facial landmarks were analyzed, specifically the 3D coordinates of the Menton, Prementon, Gonion, Tragion, Stomion, Zygion, Pronasale, and Subnasale. These data were statistically correlated with demographiccharacteristics, such as sex and population origin. A statistical model of the lower head-face surface geometry is currently in development to describe the variance of head and face shape across the population. The model will be able to visually show the statistical trends of the different shapes and sizes of the head, along with the synthetically represented boundary cases. The specific analytical methods and outcomes will be detailed in the final proceeding. This study will provide a more comprehensive assessment of how face shape varies across the military population compared to traditional linear measurements. The outcome of this study is expected to provide critical insight and recommendations for improved protective equipment design and development, not only with Soldiers but also astronauts in future exploration missions, as well as first responders and others that require critical equipment fitted to the maxillofacial and or mandibular region.

W Green↗

2019 Results for Avian Monitoring at the Technical Area 36 Minie Site, Technical Area 39 Point 6, and Technical Area 16 Burn Ground at the Los Alamos National Laboratory

Los Alamos National Laboratory biologists in the Environmental Compliance and Protection Division at Los Alamos National Laboratory (LANL) initiated a multi-year program in 2013 to monitor avifauna (birds) at two open detonation sites and one open burn site on LANL property. Monitoring results from these efforts were compared among years to monitor trends. The objectives of this study were to 1) determine whether LANL operations impact bird species richness, diversity, or abundance 2) evaluate trends in species abundance by feeding guild, and 3) examine occupancy and nest success of secondary-cavity nesting birds using nestboxes. LANL biologists completed the seventh year of this effort in 2019. Three bird point count surveys were completed at each of the treatment sites at the Technical Area (TA) 36 Minie site, the TA-39 point 6, and the TA-16 burn ground between May and July 2019. A total of 853 birds representing 53 species were recorded at the three treatment sites and compared to their associated controls. Occupancy and nest success data from nestboxes at treatment sites were compared with the overall avian nestbox monitoring network. In 2019 the species richness and diversity at the treatment sites were not statistically different from their associated controls. Rarefaction and extrapolation plots for all years through 2018 suggest that over time the species diversity was statistically different between treatments and controls, although the diversity was higher at the treatment sites than the control sites. Avian abundance showed more variability but treatment and controls were trending together year to year. The mean number of granivores, insectivores, and omnivores varies from year to year, but there is not a significant trend at any of the treatment sites. The dominant feeding guild at the treatment sites continues to be insectivores. The overall results from 2019 continue to indicate that operations at the three treatment sites are not negatively affecting bird populations. This long-term monitoring will continue to monitor for any changes over time.

54 ENVIRONMENTAL SCIENCES↗

Decreased land use intensity improves surface soil quality on marginal lands

The Conservation Reserve Program (CRP) has been a major factor in land transitions out of intensive row-crop management on marginally productive lands in the central United States. While CRP can protect these more environmentally sensitive lands against erosion and potential nutrient loss, information on how CRP affects soil quality over time is limited. Using a chronosequence with 0–40 yr of CRP conversion history, we evaluated soil quality under different land use intensities (CRP, pasture, row crop) using the Soil Management Assessment Framework (SMAF). Effects of slope classes (higher [14–25%] and lower [2–14%]) and soil depth (0–120 cm) were also evaluated. Our results show that the soils were functioning at 84 and 78% of their theoretical capacity under CRP and row crop, respectively. Conversion to CRP enhanced overall soil quality by increasing soil biological, physical, and chemical attributes, but soil nutrient availability decreased due to the absence of fertilizer application. Increasing soil organic C (SOC) enhanced overall soil quality because of its impact on soil biological, physical, chemical, and nutrient conditions. Conversion to CRP will likely have greater benefits for more environmentally sensitive soils (i.e., higher slope) as demonstrated by structural equation modeling. Land use effects were also depth dependent, with more prominent effects within the 0-to-5-cm than the 5-to-15-cm depth increment. Overall, our methods focused on key soil quality indicators, confirmed ecological benefits of CRP conversion, and provided guidance for improved and simplified land management recommendations.

54 ENVIRONMENTAL SCIENCES↗

A multilayer network analysis of Alzheimer's disease pathogenesis: Roles for p‐tau, synaptic peptides, and physical activity

INTRODUCTION: In the aging brain, cognitive abilities emerge from the coordination of complex pathways arising from a balance between protective lifestyle and environmental factors and accumulation of neuropathologies. METHODS: As part of the Rush Memory and Aging Project (n = 440), we measured accelerometer-based actigraphy, cognitive performance, and after brain autopsy, selected reaction monitoring mass spectrometry. Multilevel network analysis was used to examine the relationships among the molecular machinery of vesicular neurotransmission, Alzheimer's disease (AD) neuropathology, cognition, and late-life physical activity. RESULTS: Synaptic peptides involved in neuronal secretory function were the most influential contributors to the multilayer network, reflecting the complex interdependencies among AD pathology, synaptic processes, and late-life cognition. Older adults with lower physical activity evidenced stronger adverse relationships among phosphorylated tau peptides, markers of synaptic integrity, and tangle pathology. DISCUSSION: Network-based approaches simultaneously model interdependent biological processes and advance understanding of the role of physical activity in age-associated cognitive impairment. Highlights: Network-based approaches simultaneously model interdependent biological processes. Secretory synaptic peptides were influential contributors to the multilayer network. Older adults with lower physical activity had adverse relationships among pathology. There was interdependence among phosphorylated tau, synaptic integrity, and tangles. Network methods elucidate the role of physical activity in cognitive impairment.

60 APPLIED LIFE SCIENCES↗

Cobalt-60, Barium-133, Cesium-137, and Europium-152 migration from cementitious sources through sediment under field conditions

Safe and effective storage of radioactive waste is essential to protect human and environmental health. Due to the potential for accidental releases and the severity of the associated risks, it is imperative to further understand radionuclide transport should an accident occur. This study was the second set of measurements conducted in 2022 of an ongoing experiment that has analyzed the vadose zone migration of radionuclides from cementitious wasteforms at the Savannah River Site over the last ten years. The radionuclides introduced within the sources are prominent constituents of radioactive waste or analogs for other groups or series of radionuclides. Lysimeters were first analyzed in 2016 using a collimated high-purity germanium gamma-ray spectrometer to non-destructively measure the concentration of each radionuclide in the sediment column as a function of depth. Following these measurements, the lysimeters were redeployed for another 4 years. All radionuclides in all lysimeters were observed to transport further during the redeployment period; however, the extent of migration varied with the material used for introduction. Except for 137Cs, migration through the sediment control system increased with decreasing ionic potential (ionic charge/radius); migration order: 152Eu<137Cs<60Co<133Ba. Overall, the cementitious wasteforms were observed to decrease radionuclide migration extent relative to natural vadose zone conditions. In both cementitious wasteforms, the migration extent increased in the order 152Eu<133Ba<60Co<137Cs. However, less migration was measured when the radionuclides were incorporated into a reducing grout wasteform. The novelty of this paper is the demonstration of a technique capable of creating non-destructive measurements over decade time scales. Ultimately, this work provides insight into the long-term migration of alkali, alkali earth, divalent transition metal, and trivalent (e.g., lanthanide and actinide element) isotopes.

11 NUCLEAR FUEL CYCLE AND FUEL MATERIALS↗

Sustained strain applied at high rates drives dynamic tensioning in epithelial cells

Epithelial cells experience long lasting loads of different magnitudes and rates. How they adapt to these loads strongly impacts tissue health. Yet, much remains unknown about the evolution of cellular stress in response to sustained strain. Here, by subjecting cell pairs to sustained strain, we report a bimodal stress response, where in addition to the typically observed stress relaxation, a subset of cells exhibits a dynamic tensioning process with significant elevation in stress within 100 s, resembling active pulling-back in muscle fibers. Strikingly, the fraction of cells exhibiting tensioning increases with increasing strain rate. The tensioning response is accompanied by actin remodeling, and perturbation to actin abrogates it, supporting cell contractility’s role in the response. Collectively, our data show that epithelial cells adjust their tensional states over short timescales in a strain-rate dependent manner to adapt to sustained strains, demonstrating that the active pulling-back behavior could be a common protective mechanism against environmental stress.

bioinformatics↗

Methods for Delivery and Distribution of Amendments for Subsurface Remediation: A Critical Review

The ability to reliably deliver and widely distribute remedial amendments through the subsurface environment is of paramount importance to achieve clean-up objectives for contaminated sediments and groundwater for protection of sensitive environmental habitats and natural resources. A wide range of amendment types, delivery techniques, and subsurface access methods are available. However, the applicability of these approaches is dependent on a multitude of site-specific factors and conditions. In this review, an overview of amendment types (i.e., liquid, gas, and solids) and access/distribution methods is provided, along with discussion of the maturity level (low, medium, or high), advantages, and limitations that relate to the potential effectiveness of each approach in the context of site-specific factors (subsurface geology, geochemistry, contaminant properties, etc.). Each amendment type and delivery approach are further evaluated for applicability to the following subsurface target zones: saturated, unsaturated, and perched water, with specific focus on high and low permeability variants of each zone. The review highlights a critical need for field-tested approaches targeting unsaturated and perched water zones, as well as low-permeability regions within all subsurface regions. The intent of this review is to provide critical information and insight into how amendments can be delivered, emplaced, and/or distributed effectively in the subsurface environment to effectively manage subsurface contamination.

Muller, Katherine A.↗

Evaluating Precision of Measured Radionuclide Ambient Air Concentrations

According to AIRNET – Quality Assurance Project Plan for the Radiological Air Sampling Network, SOP-5140, Revision 2 (to become EPC-CP-PIP-5140): “The regulation 40 CFR Part 61.93 requires that the system be able to readily detect a dose of 1.0 mrem above background. Following statistical principles and assuming 95% confidence for such a measurement, we require that 95% of all measurements must fall within two standard deviations of the mean. This represents the minimum acceptable precision for decision making.” An independent assessment of the Rad-NESHAP program completed in early 2019 found that no documentation existed proving that the Airnet data meets the precision defined above. Therefore, to address this particular finding, Airnet concentration data was pulled from the Environmental Information Management (EIM), a cloud-based database maintained by Locus Technologies, for analysis.

54 ENVIRONMENTAL SCIENCES↗

Addendum to water resource assessment in the New Mexico Permian Basin

There are an estimated 48,745 wells producing oil or gas in New Mexico as of August 8, 2020 and with advances in drilling and oil recovery technology the use of hydraulic fracturing has become more commonplace. With a typical well requiring 1.5 to 16 million gallons of water, there is an increased demand for water in the Permian Basin and concern over the regions ability to meet this demand. This report is an addendum to the 2018 report Water Resource Assessment in the New Mexico Permian Basin (SAND2018-12018) to monitor baseline water level and chemistry data established in the original report. Results from this addendum can be used to further understand regional water supply and demands and aid in the BLMs mission of sustainably meeting the needs of water users while protecting human and environmental health.

54 ENVIRONMENTAL SCIENCES↗

Two-Step Synthesis of Poly (urea formaldehyde) Microcapsules

Self-healing coatings have potential to reduce waste and minimize repair costs in industries where materials need to be protected from harsh environmental conditions and mechanical abrasion. These coatings can be created by embedding healing-agent filled microcapsules which release their contents and fill voids in the event of damage. To synthesize microcapsules that are ideal for self-healing coatings, they must have a diameter less than 100 microns, smooth surface morphology, and have improved dispersibility. Our current one-step method does not produce microcapsules within the desired size distribution, so a two-step route where oligomers of the shell wall material are formed prior to microcapsule formation was investigated. This was done by evaluating the effects of solution viscosity, size of reaction vessel, addition of poly (vinyl alcohol) (PVA), and core/shell ratio on microcapsule properties. Characterization of microcapsule size, morphology, and composition was done using optical microscopy, Fourier-transform infrared spectroscopy (FTIR), and thermogravimetric analysis (TGA). Microcapsules with an average diameter of 78 ± 16 microns were successfully synthesized. Further work must be done to minimize PUF crystallites on the surface of the microcapsules.

36 MATERIALS SCIENCE↗

Radioactive Waste Management Basis (Rev.6)

This Radioactive Waste Management Basis (RWMB) documents radioactive waste management practices adopted at Lawrence Livermore National Laboratory (LLNL) pursuant to Department of Energy Order (DOE O) 435.1, Radioactive Waste Management. The purpose of this RWMB is to ensure that LLNL manages radioactive waste in a safe and environmentally-compliant manner, protective of worker and public safety.

12 MANAGEMENT OF RADIOACTIVE AND NON-RADIOACTIVE W↗

Recent advances in spacecraft thermal-control materials research.

The state-of-the-art of spacecraft thermal-control materials technology has been significantly advanced during the past 4 years. Selective black coatings are discussed together with black paints, dielectric films on metal surfaces, and white radiator coatings. Criteria for the selection of thermal-control surfaces are considered, giving attention to prelaunch protection, the capability of being measured, reproducibility, simulator response, and aspects of a nonindigenous space environment. Progress in space simulation is related to vacuum technology, ultraviolet sources, solar wind simulation, and the production of protons. Advances have been made in the protection against space environmental effects, and in the development of thermal-control surfaces and pigments.

Zerlaut, G. A.↗

A small instrument pointing system for shuttle sortie missions

A small instrument pointing system (SIPS) has been conceptually designed as a means of interfacing smaller astronomical instruments with the ESA spacelab system on shuttle sortie missions. Small instruments are defined as being up to 0.9 meter in diameter, three meters in length, and 340 kilograms in mass. Two independently supported instruments are deployed on a common pedestal to give a hemispherical field of view. The instruments are each supported at their centers-of-mass in bi-axial gimbal systems for fine pointing. An optional roll gimbal can be used to give roll about the line of sight. Instruments are held in environmental canisters which protect them thermally, and acoustically as well as from contamination. The canister facilitates instrument integration and provides interfaces to all spacelab subsystems. The SIPS is a total instrument support system for small sortie mission instruments.

Henrikson, C. C.↗