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At least 541 records · Page 30

Selective Detection of Diglycolamide Diastereomers By Metal-Ligand Cluster Formation

Introduction (120 words): Differentiation of isomers using mass spectrometry is a challenge, as these species tend to produce ions of identical mass-to-charge ratio. Therefore, separation with mass spectrometry must rely on chemical differences between isomeric species. Separation of stereoisomers is especially challenging, as these species often have very similar chemistry. However, recent investigations of the solvent extraction behavior of diastereomers of diglycolamide molecules have shown that different stereoisomers can have significantly different lanthanide extraction efficiencies. These studies showed that the R,S stereoisomer of 2,2'-oxybis(N,N-dioctylpropanamide efficiently extracts lanthanides, while the S,S stereoisomer does not. Thus, gas-phase metal complexation may provide a pathway for differentiating these species using mass spectrometry. Methods (120 words): Europium, samarium, and holmium clusters with the R,S, and the S,S diastereomers of 2,2'-oxybis(N,N-didecylpropanamide (trivially tetradecyl diglycolamide, or mTDDGA) were generated in gas-phase using the electrospray ionization source of a Bruker (Billerica, MA, USA) micrOTOF-Q II quadrupole time-of-flight mass spectrometer. Solutions of aqueous lanthanide nitrate and diglycolamide ligands in 2-propanol were added to 50%:50% by volume acetonitrile:2-propanol to generate the spray solutions. Ligand concentration was maintained at approximately 6 µM, while lanthanide concentration was maintained at either 6 µM or 30 µM . High resolution, high mass accuracy spectra were recorded using the time-of-flight. Mass accuracy was ensured using external calibration with Agilent (Santa Clara, CA, USA) ESI-L Low Concentration tuning mix. Preliminary data (300 words): Electrospray of solutions containing only R,S-mTDDGA or S,S-m-TDDGA yield abundant peaks at m/z= 721.7, corresponding to [mTDDGA+H]+1, m/z = 743.7, corresponding to [mTDDGA+Na]+1, and m/z = 1464.4, corresponding to the sodium-bound dimer, [Na(mTDDGA)2]+1. Spray of solutions containing 6 µM europium (Eu) with 3 µM R,S-mTDDGA produced an abundant cluster ion with an isotopic envelope centered at m/z=772.0, corresponding to [Eu(R,S-mTDDGA)3]3+. Europium-containing cluster ions with isotopic envelopes apexing at m/z = 1012.3 and 1189.0 correspond to the [Eu(R,S-mTDDGA)4]3+ and [Eu(R,S-mTDDGA)5]3+ cluster ions, respectively. Protonated and sodiated R,S-mTDDGA are present as well, along with the sodium-bound dimer. In contrast, spray of solutions containing 6 µM europium (Eu) with 3 µM S,S-mTDDGA diastereomer yielded only protonated and sodiated ligand ions; no Eu- S,S-mTDDGA ions were present. This mirrors the solution-phase behavior, where the S,S diestereomer extracts lanthanides with significantly less efficiency than the R,S diestereomer. Experiments with holmium and samarium yielded the same results. Increasing the lanthanide concentration to 30 µM resulted in limited formation of lanthanide-S,S-mTDDGA clusters. However, the abundance of the [Ln(S,S-mTDDGA)3]3+ clusters remained low compared to the abundance of the protonated and sodiated ligand. Additionally, the abundance of the [Ln(R,S-mTDDGA)3]3+ cluster ion was significantly higher than that of the protonated and sodiated ligand in experiments with spray solutions containing 30 µM lanthanide with R,S-mTDDA, supporting the hypothesis that R,S-mTDDGA has a higher intrinsic affinity for the lanthanides than S,S-mTDDGA. Thus, the intrinsic complexation with lanthanides appears to offer a route to differentiate diglycolamide diestereomers in the gas-phase. Novelty (20): Stereoisomers can be differentiated in the gas phase by exploitation of differences in metal complexation chemistry.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗

Preliminary Evidence of Gas-Phase Water Splitting on Holmium Nitrogen Oxide Clusters

Preliminary Evidence of Gas-Phase Water Splitting on Holmium Nitrogen Oxide Clusters Christopher A. Zarzana1, Makayla R. Baxter , Introduction: Molecular hydrogen is a potential energy carrier that could be used to help implement a clean energy economy if it is generated from splitting of water. Improvements in the efficiencies of water-splitting electrolyzers relies on development of novel materials with enhanced performance. However, research in this area is slowed due to underdeveloped understanding of the mechanisms of device performance due to challenges interrogating the fundamental chemical reactions at play in bulk materials. Studies of the intrinsic reactivity of clusters that are representative of the reactive sites of these materials can increase understanding of the fundamental reaction mechanisms involved in hydrogen production, allowing for more efficient development of new water-splitting materials. Methods: Holmium tetranitrato ([Ho(NO3)4]-) clusters were generated in gas-phase using the electrospray ionization source of a Bruker (Billerica, MA, USA) micrOTOF-Q II quadrupole time-of-flight mass spectrometer. Spray solutions consisted of aqueous holmium (Ho) nitrate solutions (at nominally 3 mM) diluted to 30 µM in acetonitrile. The holmium (Ho) tetranitrato clusters were isolated using the quadrupole and were subsequently activated and allowed to react with background water in the collision cell. High resolution, high mass accuracy spectra were recorded using the time-of-flight. Mass accuracy was ensured using external calibration with Agilent (Santa Clara, CA, USA) ESI-L Low Concentration tuning mix. Preliminary data: Collisional activation of the holmium tetranitrato complexes ([Ln(NO3)4]-) resulted in an expected series of ions resulting from the loss of ·NO and ·NO2. This included an ion at m/z = 382.885 assigned as [HoO2(NO3)3]- (theoretical m/z=382.884, error=-1.2 ppm), resulting from loss of ·NO, and an ion at m/z=366.890 assigned as [HoO(NO3)3]- (theorical m/z=366.889, error=-1.8 ppm), resulting from loss of ·NO2. Additional ions were detected that would result from more complicated losses from [Ho(NO3)4]-, including ions at m/z=320.898 assigned as [HoO2(NO3)2]- (theoretical m/z=320.896, error=-4.9 ppm), at m/z=304.904 assigned as [HoO(NO3)2]- (theoretical m/z=304.901, error=-8.1 ppm, very low signal), and at m/z=288.908 assigned as [Ho(NO3)2]- (theoretical m/z=288.907, error=-3.4 ppm). This ion series would arise from loss of some combination of ·NO, ·NO2, and ·NO3, although it is not known whether these losses occur sequentially (e.g. loss of ·NO and ·NO3 to yield [HoO2(NO3)2]-) or as a single species (e.g. direct loss of N2O4). These ions were accompanied by a complementary series representing addition of a single water molecule. This included an ion at m/z=338.908 assigned as [HoO2(NO3)2H2O]- (theoretical m/z=338.907, error=-4.1 ppm), an ion at m/z=322.912 assigned as [HoO(NO3)2H2O]- (theoretical m/z=322.912, error=1.2 ppm), and an ion at m/z=306.918 assigned as [Ho(NO3)2H2O]-, (theoretical m/z=306.918, error=-3.7 ppm). An additional hydrated ion was observed at m/z=276.921 assigned as [HoO2(NO3) H2O]- (theoretical m/z=276.919, error=-7.3 ppm), although corresponding dehydrated ion was not observed. An additional ion was observed at m/z=367.898 that has been assigned as [Ho(NO3)3OH]- (theoretical m/z=367.897, error=-2.5 ppm). It is hypothesized that this ion arises from addition of water to [Ho(NO3)3]- followed by elimination of a hydrogen radical. Neither [Ho(NO3)3]- nor [Ho(NO3)3H2O]- were detected, suggesting that, if the hypothesis is correct, addition of water to [Ho(NO3)3]- and its subsequent splitting is rapid. Elimination of HNO3 from [Ho(NO3)4H2O]- could also yield [Ho(NO3)3OH]-; however, no [Ho(NO3)4H2O]- ions were observed. Novelty: Potential evidence of water splitting on gas-phase lanthanide clusters offers a way to study the intrinsic reactivity of hydrogen-generation materials.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗

A graph neural network (GNN) approach to basin-scale river network learning: the role of physics-based connectivity and data fusion

Abstract. Rivers and river habitats around the world are under sustained pressure from human activities and the changing global environment. Our ability to quantify and manage the river states in a timely manner is critical for protecting the public safety and natural resources. In recent years, vector-based river network models have enabled modeling of large river basins at increasingly fine resolutions, but are computationally demanding. This work presents a multistage, physics-guided, graph neural network (GNN) approach for basin-scale river network learning and streamflow forecasting. During training, we train a GNN model to approximate outputs of a high-resolution vector-based river network model; we then fine-tune the pretrained GNN model with streamflow observations. We further apply a graph-based, data-fusion step to correct prediction biases. The GNN-based framework is first demonstrated over a snow-dominated watershed in the western United States. A series of experiments are performed to test different training and imputation strategies. Results show that the trained GNN model can effectively serve as a surrogate of the process-based model with high accuracy, with median Kling–Gupta efficiency (KGE) greater than 0.97. Application of the graph-based data fusion further reduces mismatch between the GNN model and observations, with as much as 50 % KGE improvement over some cross-validation gages. To improve scalability, a graph-coarsening procedure is introduced and is demonstrated over a much larger basin. Results show that graph coarsening achieves comparable prediction skills at only a fraction of training cost, thus providing important insights into the degree of physical realism needed for developing large-scale GNN-based river network models.

54 ENVIRONMENTAL SCIENCES↗

Organic Matter Concentration and Composition in November 2021 and April 2022 from 12 Streams Impacted by the 2020 Holiday Farm Fire (v2)

This dataset represents results from a field study aiming to understand storm induced transport of pyrogenic materials to streams impacted by varying degrees of burn severity. Time series samples were collected at 5 sites within the McKenzie River Watershed (Oregon, USA) whose catchment were each completely engulfed by the 2020 Holiday Farm Fire. An additional 7 sites were sampled once during the storm. The samples were collected during storm events in November 2020, January 2021, November 2021, and April 2022. Samples were characterized for benezenepolycarboxylic acids (BPCA), ultra-high resolution mass spectrometry, dissolved organic carbon and optics (absorbance and fluorescence). Fourier-transform ion cyclotron resonance mass spectrometry (FTICR) and dissolved organic carbon data from the November 2020 (referred to as “EWEB_2020”) sampling can be found in a separate data package (doi: 10.15485/1869708). NOTE: The 2020 samples were run on FTICR-MS in two unique instances. The first run can be found in the previous data package (EWEB_2020). The second run is included in this data package. These samples were run for a second time so that the data were more directly interoperable with the other samples in this data package. We have not done any investigation into the differences/similarities between these datasets and the previously ran/published data in the other data package. This data package was originally published in November 2024. It was updated in April 2025 (v2; new and modified files). See the change history section below for more details. For details on how to navigate data packages generated by this project, see https://data.ess-dive.lbl.gov/portals/PNNLRiverCorridorSFA/About. This dataset contains (1) file-level metadata; (2) data dictionary; (3) data package readme; (4) metadata; (5) methods information; (6) dissolved organic carbon (DOC, measured as non-purgeable organic carbon, NPOC) data; (7) excitation emission matrix (EEM) methods; and (8) a sub-folder with processed EEM data (9) benzene polycarboxylic acid (BPCA) concentration data; (10) Fourier transform ion cyclotron resonance mass spectrometry (FTICR-MS) methods; and (11) folder of high-resolution characterization of organic matter via 12 Tesla FTICR-MS generated through the Environmental Molecular Sciences Laboratory (EMSL; https://www.pnnl.gov/environmental-molecular-sciences-laboratory). The EEMs sub-folder contains two additional folders; the Absorbance and Fluorescence folders which contain the processed EEMs absorbance and fluorescence data respectively. This package contains the following file types: csv, xml, pdf.

54 ENVIRONMENTAL SCIENCES↗

Seismic Ambient Noise Analyses Reveal Changing Temperature and Water Signals to 10s of Meters Depth in the Critical Zone

The critical zone sustains terrestrial life, but we have few tools to explore it efficiently beyond the first few meters of the subsurface. Using analyses of high-frequency ambient seismic noise from densely spaced seismometers deployed in the forested Shale Hills subcatchment of the Susquehanna Shale Hills Critical Zone Observatory (SSHCZO), we show that temporal changes in seismic velocities at depths from ~1 m to tens of m can be detected. Furthermore, these changes are driven by variations at the land surface. The Moving-Window Cross-Spectral (MWCS) method was employed to measure seismic-velocity changes in coda waves at hourly resolution in 10 different frequency bands. We observed a diurnal signal, a seasonal signal, and a meteorological-event-based signal. These signals were compared to time-series measurements of precipitation, well water levels, soil moisture, soil temperature, air temperature, latent heat flux, and air pressure in the heavily instrumented catchment. Most of the velocity changes can be explained by variations in temperature that result in thermoelastic strains that propagate to depth. But some double minima in seismic velocity time-series observed after large rain events were attributed in part to the effects of water infiltration. These results show that high-frequency ambient noise data may in some locations be used to detect changes in the critical zone from ~1 to ~100 m or greater depth with hourly resolution. But interpretation of such data requires multiple environmental data sets to deconvolve the complex interrelationships among thermoelastic and hydrological effects in the subsurface critical zone.

54 ENVIRONMENTAL SCIENCES↗

High-Resolution Southeast Asia Wind Resource Data Set

Well informed decision-making is a key part of integrating variable renewable energy into the global energy marketplace. USAID and NREL, through the Advanced Energy Partnership for Asia, are expanding access to critical resource data by providing free, high-fidelity time-series wind resource data for Southeast Asia through the RE Data Explorer platform. This brief highlights the development of the Southeast Asia wind resource data set and discusses the impacts of this data.

Advanced Energy Partnership for Asia↗

Toward nanoscale molecular mass spectrometry imaging via physically constrained machine learning on co-registered multimodal data

Mass spectrometry imaging (MSI) plays a pivotal role in investigating the chemical nature of complex systems that underly our understanding in biology and medicine. Multiple fields of life science such as proteomics, lipidomics and metabolomics benefit from the ability to simultaneously identify molecules and pinpoint their distribution across a sample. However, achieving the necessary submicron spatial resolution to distinguish chemical differences between individual cells and generating intact molecular spectra is still a challenge with any single imaging approach. Here, we developed an approach that combines two MSI techniques, matrix-assisted laser desorption/ionization (MALDI) and time-of-flight secondary ion mass spectrometry (ToF-SIMS), one with low spatial resolution but intact molecular spectra and the other with nanometer spatial resolution but fragmented molecular signatures, to predict molecular MSI spectra with submicron spatial resolution. The known relationships between the two MSI channels of information are enforced via a physically constrained machine-learning approach and directly incorporated in the data processing. We demonstrate the robustness of this method by generating intact molecular MALDI-type spectra and chemical maps at ToF-SIMS resolution when imaging mouse brain thin tissue sections. This approach can be readily adopted for other types of bioimaging where physical relationships between methods have to be considered to boost the confidence in the reconstruction product.

97 MATHEMATICS AND COMPUTING↗

237 Np Fission Spectrum Cumulative Fission Product Yield Measurement Using Godiva IV Critical Assembly

Precise integral measurement of fast neutron-induced fission product yields for various actinides is of high interest for applied nuclear science. The goal of this effort is to improve uncertainties in fission product yield values of 237 Np. Fission was induced in a NpO 2 (NO 3 ) target using the Godiva IV critical assembly in burst mode. The irradiated sample was transferred to a high-resolution γ-ray detection setup within 50 minutes. γ-ray list mode data was collected from 50 minutes to 1 week after the irradiation. γ-ray spectroscopy was performed to analyze the time dependent γ-ray yields using an automated peak search algorithm to identify isotopes by their decay γ-ray energy and half-life. Finally, the initial activity for each isotope identified was used to calculate their fission product yield.

73 NUCLEAR PHYSICS AND RADIATION PHYSICS↗

Imaging of dynamic processes in materials with a laser-wakefield accelerator

Betatron x rays generated from laser-wakefield accelerators are a promising source for imaging dynamic processes in materials. Here, we present proof-of-concept imaging of microstructural evolution in a hypermonotectic Al-Bi alloy, which consists of liquid Bi particles in a solid Al matrix. The images capture the elongation and fragmentation of Bi particles upon isothermal annealing. Because of the femtosecond time scale of the betatron source, the images are not subject to motion blur, whereas the accessibility of the source allows for studies of long-term processes such as annealing. The high-resolution data reveal that the evolution of Bi particles is mediated by an interplay of grain-boundary wetting and morphological instability, in stark contrast to an earlier proposal for (inverse) coarsening.

Alloys↗

Automatic Traffic Queue-End Identification using Location-Based Waze User Reports

Traffic queues, especially queues caused by non-recurrent events such as incidents, are unexpected to high-speed drivers approaching the end of queue (EOQ) and become safety concerns. Though the topic has been extensively studied, the identification of EOQ has been limited by the spatial-temporal resolution of traditional data sources. This study explores the potential of location-based crowdsourced data, specifically Waze user reports. It presents a dynamic clustering algorithm that can group the location-based reports in real time and identify the spatial-temporal extent of congestion as well as the EOQ. The algorithm is a spatial-temporal extension of the density-based spatial clustering of applications with noise (DBSCAN) algorithm for real-time streaming data with an adaptive threshold selection procedure. Here, the proposed method was tested with 34 traffic congestion cases in the Knoxville, Tennessee area of the United States. It is demonstrated that the algorithm can effectively detect spatial-temporal extent of congestion based on Waze report clusters and identify EOQ in real-time. The Waze report-based detection are compared to the detection based on roadside sensor data. The results are promising: The EOQ identification time of Waze is similar to the EOQ detection time of traffic sensor data, with only 1.1 min difference on average. In addition, Waze generates 1.9 EOQ detection points every mile, compared to 1.8 detection points generated by traffic sensor data, suggesting the two data sources are comparable in respect of reporting frequency. The results indicate that Waze is a valuable complementary source for EOQ detection where no traffic sensors are installed.

99 GENERAL AND MISCELLANEOUS↗

Current UAS Capabilities for Geospatial Spectral Solutions

Unmanned aerial systems (UAS) are playing an increasingly pivotal role in advancing the remote collection of data. The various datasets collected by these cutting-edge systems provide near-real-time information and help inform end users on everything from disaster recovery efforts to monitoring atmospheric constituents. This chapter focuses on how the collection of imagery has progressed over time, including the pivotal role UAS play in building large-scale datasets driving data analysis. The authors report the findings of a 2018–2021 survey of the fields that use UAS, the UAS platforms most commonly used, and the sensor components users select to outfit their UAS. The chapter will also discuss the range of platforms currently available, with a specific focus on issues including battery life, data downlinks, data processing times, edge computing, and availability of new sensors. The authors will also discuss the future direction of UAS platforms as well as many of the problems associated with the high spatial and temporal resolution of modern geospatial datasets.

Cotten, David↗

Petrographic and spectral study of hydrothermal mineralization in drill core from Hawaii: A potential analog to alteration in the martian subsurface

Abstract Continuous rock core was collected for 1764 m (5786’) on the Pohakuloa Army Training base near the center of the big island of Hawaii. The core traverses basaltic lava flows from the volcano's shield-building phase, and perched aquifers and higher temperature groundwaters were encountered. The collected samples record water-rock interactions of basaltic materials in a setting that may be a model for groundwater interactions on Mars. We collected visible and infrared point spectra of materials in the lowest portion of the core, where alteration was noted to become more prominent. We identified three types of phyllosilicate spectral signatures and three types of zeolites. The phyllosilicates show similarity to those identified on Mars using data from the Compact Reconnaissance Imaging Spectrometer for Mars (CRISM). Based on the field survey, 25 depths were selected for sampling and petrographic analysis of thin sections. The spectral data and thin section work have a strong agreement in the types of materials identified by the two different techniques. Both the spectral and petrographic data indicate low to moderate temperature geothermal alteration occurred in the lower half of the core. The field spectra are a useful reconnaissance tool for selecting mineralogic diversity for subsequent higher resolution and more time-consuming laboratory analysis.

Geochemistry & Geophysics↗

Assimilation of Multiscale Data into Multifidelity Biogeochemical Models (Final Report)

Quantitative predictions of subsurface processes rely on computational models that capture, with different degrees of fidelity, complex interactions between hydrologic and biogeochemical processes. Molecular- and pore-scale models provide a high-fidelity representation of these processes but are impractical at the field scale. Reduced complexity (e.g., field-scale or data-driven) models sacrifice some degree of fidelity in favor of computational efficiency. Uncertainty and assimilation of data into model predictions, pose a question of model selection: Given a significant difference in computational cost, can a lower-fidelity model be preferable to its higher-fidelity counterpart? Since a predictive model must be computable in reasonable time it has to operate at the field scale, with molecular- and pore-scale data (obtained either from simulations or measurements) determining both the model's structure and parameters. Availability of such multi-resolution data raises a question hitherto undressed in hydrogeology: Can a coarse model dynamically ``learn'' its own structure (e.g., adjust the reaction pathways in its transport module) as more fine-scale data become available during simulations? Our results in multifidelity simulations, data assimilation, and machine learning led us to hypothesize that the answer to these questions is ``yes''. The overarching goal of this project was to confirm this hypothesis by developing scalable, computationally efficient tools for assimilation of data into multiscale models, in which fine-scale data and simulations dynamically inform and autonomously modify coarse-scale models. Our research led to nine manuscripts, three of which have been published and the other six are currently under review.

96 KNOWLEDGE MANAGEMENT AND PRESERVATION↗

Development of Monitoring Techniques for Laser Powder Bed Additive Manufacturing of Metal Structures (Progress Report)

The Transformational Challenge Reactor (TCR) program is leveraging additive manufacturing (AM) technologies to fabricate nuclear grade components to be assembled into a fully functional microreactor core. Compared to traditional manufacturing technologies, additive manufacturing technologies allow (1) observation of the manufacturing process at a much higher resolution in real time using in situ monitoring technologies to capture the sensor signature that scientifically describes each event occurring over time and space, and (2) validation of the manufacturing process quality using domain-informed data analytics techniques as a potential qualification and certification methodology for the final component. This report provides an update on the program work on laser powder bed fusion in-situ process monitoring and associated data analytics results. Examples are provided to illustrate the progress. Elements of the Digital Thread and data management are discussed in the main document, and an extensive supplemental material section is provided detailing the Digital Platform, as well as its implementation and components. In conclusion the path forward for the next fiscal year is discussed.

22 GENERAL STUDIES OF NUCLEAR REACTORS↗

Ultra-high Bandwidth, Ultra-high Dynamic Range X-Ray Shock Characterization via Photonic Integrated Circuit

Nuclear weapon component assessment tests at the Z Machine rely on accurate X-ray yield measurements for model validation, design and analysis of component survivability, and source optimization. Yield measurement devices currently used do not provide the requisite certainty to enable accurate and efficient data analysis of test results, which leads to an increase in Z-shots required for evaluation, longer device development times, and higher operation costs. Additionally, current X-ray flux detectors lack high temporal resolution at the tails. Similarly, shock measurement techniques used for component assessment often lack the ability to spatially resolve wave behavior thereby limiting the ability to measure shock propagation dynamics needed to design the next generation of ND components. Here we present the development of a photonic micro-calorimeter and shock sensor consisting of meter-long waveguide spirals that are optomechanically coupled to X-ray absorbing layers to characterize yield and shock propagation at nanosecond timescales.

42 ENGINEERING↗

Satellite-based Investigation of Power-Line Vegetation Encroachment in the US (SILVANUS)

Rapid wide-area assessments of vegetation encroachment on transmission and distribution line rights-of-way (ROW) is a highly desirable capability for understanding risks to the power grid during severe weather and wildfire events. Conventional assessments are time-consuming and expensive due to the need for in-situ inspections and the use of aerial assets. Performing conventional assessments on a wide area would require immense resources and time that might not be available within the horizon of an expected adverse event. Developing a capability to accurately assess vegetation encroachment into ROWs will enable faster analysis of potential grid vulnerabilities in NAERM. This project sought to develop a prototype capability for rapid ROW vegetation encroachment assessments by using Puerto Rico as a test case. Puerto Rico is a heavily forested island territory frequently impacted by tropical cyclones that threaten the electric grid by downing trees across transmission and distribution lines. Multispectral satellite imagery (MSI) enable very high resolution (i.e., 0.5 - 2 meter) assessment of vegetation conditions at scale and with revisit times appropriate for regular monitoring (e.g., weekly to quarterly, depending on cloud cover) of the entire island. Synthetic aperture radar (SAR) data from satellites was also investigated as solution to the cloud-cover issue as they are active sensors that emit and receive a microwave signal rather than relying on solar illumination, and are therefore unaffected by cloud cover and can collect data during day or night. Finally, MSI-derived digital surface models (DSMs) map the height of objects relative to sea level, and were assessed for their ability to estimate the height of forest canopies relative to coincident transmission lines. The results of the mapping investigation are described in this report.

24 POWER TRANSMISSION AND DISTRIBUTION↗

A Generalizable Evaluated Approach, Applying Advanced Geospatial Statistical Methods, to Identify High Lead Exposure Locations at Census Tract Scale: Michigan Case Study

BACKGROUND: Despite great progress in reducing environmental lead (Pb) levels, many children in the United States are still being exposed. OBJECTIVE: Our aim was to develop a generalizable approach for systematically identifying, verifying, and analyzing locations with high prevalence of children’s elevated blood Pb levels (EBLLs) and to assess available Pb models/indices as surrogates, using a Michigan case study. METHODS: We obtained ~1:9 million BLL test results of children <6 years of age in Michigan from 2006–2016; we then evaluated them for data representativeness by comparing two percentage EBLL (%EBLL) rates (number of children tested with EBLL divided by both number of children tested and total population). We analyzed %EBLLs across census tracts over three time periods and between two EBLL reference values (≥5 vs. ≥10 μg/dL) to evaluate consistency. Locations with high %EBLLs were identified by a top 20 percentile method and a Getis-Ord Gi* geospatial cluster “hotspot” analysis. For the locations identified, we analyzed convergences with three available Pb exposure models/indices based on old housing and sociodemographics. RESULTS: Analyses of 2014–2016 %EBLL data identified 11 Michigan locations via cluster analysis and 80 additional locations via the top 20 percentile method and their associated census tracts. Data representativeness and consistency were supported by a 0.93 correlation coefficient between the two EBLL rates over 11 y, and a Kappa score of ~0:8 of %EBLL hotspots across the time periods (2014–2016) and reference values. Many EBLL hotspot locations converge with current Pb exposure models/indices; others diverge, suggesting additional Pb sources for targeted interventions. DISCUSSION: This analysis confirmed known Pb hotspot locations and revealed new ones at a finer geographic resolution than previously available, using advanced geospatial statistical methods and mapping/visualization. It also assessed the utility of surrogates in the absence of blood Pb data. This approach could be applied to other states to inform Pb mitigation and prevention efforts. https://doi.org/10.1289/EHP9705

54 ENVIRONMENTAL SCIENCES↗

Selected advances in small-angle scattering and applications they serve in manufacturing, energy and climate change

Innovations in small-angle X-ray and neutron scattering (SAXS and SANS) at major X-ray and neutron facilities offer new characterization tools for researching materials phenomena relevant to advanced applications. For SAXS, the new generation of diffraction-limited storage rings, incorporating multi-bend achromat concepts, dramatically decrease electron beam emittance and significantly increase X-ray brilliance over previous third-generation sources. This results in intense X-ray incident beams that are more compact in the horizontal plane, allowing significantly improved spatial resolution, better time resolution, and a new era for coherent-beam SAXS methods such as X-ray photon correlation spectroscopy. Elsewhere, X-ray free-electron laser sources provide extremely bright, fully coherent, X-ray pulses of <100 fs and can support SAXS studies of material processes where entire SAXS data sets are collected in a single pulse train. Meanwhile, SANS at both steady-state reactor and pulsed spallation neutron sources has significantly evolved. Developments in neutron optics and multiple detector carriages now enable data collection in a few minutes for materials characterization over nanometre-to-micrometre scale ranges, opening up real-time studies of multi-scale materials phenomena. SANS at pulsed neutron sources is becoming more integrated with neutron diffraction methods for simultaneous structure characterization of complex materials. In this paper, selected developments are highlighted and some recent state-of-the-art studies discussed, relevant to hard matter applications in advanced manufacturing, energy and climate change.

36 MATERIALS SCIENCE↗