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At least 19 records

Integrating Contaminant Source Indicators, Water Quality Measures, and Ecotoxicity to Characterize Contaminant Mixtures and Per- and Polyfluoroalkyl Substance (PFAS) Variability in an Urban Watershed

Thousands of chemical contaminants threaten watersheds but are time and cost prohibitive to monitor. Identifying their sources, transport, and ecological risk is limited in heterogeneous urban watersheds. We present an integrative watershed approach using source-specific indicator compounds, common water quality measures, and ecotoxicity assays to examine the distribution of contaminant mixtures in an urbanized watershed. Indicator compound concentrations were temporally and spatially distributed for treated/untreated sewage (sucralose, artificial sweetener), road runoff (diphenyl-guanidine [DPG] and 6PPD-quinone [6PPD-Q], automobile tire additives), and lawncare runoff (aminomethanephosphonic acid (AMPA), major degradant of the herbicide glyphosate). Sucralose was predominately sourced from treated wastewater; measurable concentrations in tributaries indicated raw sewage inputs. DPG and 6PPD-Q concentrations correlated to road density during base flow and were elevated during stormflow. AMPA was measurable spring through fall, especially where lawns were dense. When specific sources dominated flow, water quality measures correlated with wastewater (sulfate, potassium, chloride, and sodium) and road runoff (chromium and lead) indicators. The limited behavioral toxicity observed in exposed zebrafish (Danio rerio) (18%) was not well explained by source-indicators. PFAS concentrations were highly variable spatially but not well explained by our source-specific indicator compounds. Here, more costly compound-specific monitoring may be necessary when multiple sources exist or when unexpected toxicity trends occur.

computer simulations

A study on the scale dependence of mixing indices for Eulerian multiphase models

Abstract Mixing can vary based on the scale at which the system is observed, and a mixing index that can capture the features at different length scales is desirable. In this article, we analyze the scale dependence of the mixing indices developed for Eulerian multiphase models. Relevant length scales are distinguished by filtering solid fraction fields. The scale‐dependence study is first done on manufactured fields of solid fraction to assess the performance of the mixing indices. The study is extended to a two‐dimensional CFD simulation of the segregation of a bidisperse gas–solid mixture. The local mixing index performs well in capturing the spatial variation of mixing at different scales. The scale dependence of two global mixing indices is considered in the study, where the state of mixing is defined based on statistical measures. We demonstrate that the choice of measures influences the sensitivity of mixing indices to mixing at different scales.

Nagawkar, Barlev R.

Volatiles from the necrophagous fly Cochliomyia macellaria (Diptera: Calliphoridae) as indicators of Salmonella exposure

Blow flies (Diptera: Calliphoridae) are crucial in forensic investigations due to their association with both living and dead humans and other animals. Additionally, their interactions with various resources and potential as vectors of pathogens of humans and other animals, thus, make them potential tools for biosurveillance. This study investigated the potential of monitoring volatile organic compounds (VOCs) emitted by blow flies exposed to Salmonella as a method for pathogen surveillance. Adult blow flies ( Cochliomyia macellaria ) were exposed, or not, to Salmonella enterica . Following exposure, VOCs released by the blow flies were collected and analyzed using gas chromatography-mass spectrometry (GC-MS). Results indicate a treatment by time interaction (P < 0.01). Indicator species analysis identified a single compound significantly associated with S. enterica exposure (P = 0.02), Nonane, 2,2,4,4,6,8,8-heptamethyl, potentially indicating an immune system response. Given a compound indicating exposure was detected, future research should determine if more replicates could detect more differences after Salmonella ingestion. This research highlights the potential of blow flies as biosurveillance tools and the potential value of volatiles for assessing their exposure to pathogens.

59 BASIC BIOLOGICAL SCIENCES

Climate-Related Indices for Agricultural Production

This document summarizes common indices used to characterize climate-related impacts to agricultural production. In particular, we consider indices for three phenomena: 1) drought, 2) growing period, and 3) heat stress (Table 1). It should be noted that these indices are far from exhaustive. Instead, they reflect common concerns related to production of agriculture that are emerging across multiple regions (Gunda et al., 2024). Other indices such as rate of return (Shand et al., 2024) can also be leveraged to support agriculture-related climate analyses as well.

54 ENVIRONMENTAL SCIENCES

African dust transported to Barbados in the wintertime lacks indicators of chemical aging

The chemical processing (“aging”) of mineral dust is thought to increase dust light-scattering efficiency, cloud droplet activation, and nutrient solubility. However, the extent of African dust aging during long-range transport to the western Atlantic is poorly understood. Here, we explore African dust aging in wintertime samples collected from Barbados when dust is transported at lower altitudes. Ion chromatography (IC) analysis indicates that the mass concentrations of bulk nitrate, sulfate, and oxalate increase, relative to background conditions, when African dust reaches Barbados after transatlantic transport, indicating dust aging. However, aerosol mixing-state analysis from computer-controlled scanning electron microscopy with energy dispersive X-ray spectroscopy (CCSEM/EDX) indicates that approximately 67 % of dust particles are internally mixed with sea salt, while only about 26 % of dust particles contain no internally mixed components. SEM/EDX elemental mapping and time-of-flight secondary ion mass spectrometry (TOF-SIMS) reveals that within internally mixed dust and sea salt particles, only sea salt components contain signs of aging as indicated by the loss of chloride and acquisition of nitrate and/or sulfate. Our results suggest that chemical aging may only modestly increase the solubility of nutrients in African dust during long-range transport. Because most dust that we measured was internally mixed with sea salt, chemical aging is not necessarily required to increase the hygroscopicity of dust, at least in the lower boundary layer. Further, our findings have implications for understanding the release of halogens from sea salts, which may be enhanced in internally mixed dust and sea salt particles.

54 ENVIRONMENTAL SCIENCES

Polynomial range estimation as a troubled-cell indicator for high-order methods

Two troubled-cell indicators based on polynomial range estimation methods are used to flag cells that may violate positivity constraints. One method uses interval extension, and the second uses the range enclosure property of the Bernstein polynomial basis. Furthermore, both methods reduce compute time for the positivity preserver by limiting its application to a subset of cells. The Bernstein polynomial method remains effective as the problem dimensionality increases. Interval extension applied to the internal energy equation permits the use of the troubled-cell indicators for rational functions, though performance suffers compared to directly applying the indicators to polynomial functions.

42 ENGINEERING

A modular chemigenetic calcium indicator for multiplexed in vivo functional imaging

Abstract Genetically encoded fluorescent calcium indicators allow cellular-resolution recording of physiology. However, bright, genetically targetable indicators that can be multiplexed with existing tools in vivo are needed for simultaneous imaging of multiple signals. Here we describe WHaloCaMP, a modular chemigenetic calcium indicator built from bright dye-ligands and protein sensor domains. Fluorescence change in WHaloCaMP results from reversible quenching of the bound dye via a strategically placed tryptophan. WHaloCaMP is compatible with rhodamine dye-ligands that fluoresce from green to near-infrared, including several that efficiently label the brain in animals. When bound to a near-infrared dye-ligand, WHaloCaMP shows a 7× increase in fluorescence intensity and a 2.1-ns increase in fluorescence lifetime upon calcium binding. We use WHaloCaMP1a to image Ca 2+ responses in vivo in flies and mice, to perform three-color multiplexed functional imaging of hundreds of neurons and astrocytes in zebrafish larvae and to quantify Ca 2+ concentration using fluorescence lifetime imaging microscopy (FLIM).

Biochemistry & Molecular Biology

Coordinated JWST Imaging of Three Distance Indicators in a Supernova Host Galaxy and an Estimate of the Tip of the Red Giant Branch Color Dependence

Boasting a 6.5 m mirror in space, JWST can increase by several times the number of supernovae (SNe) to which a redshift-independent distance has been measured with a precision distance indicator (e.g., tip of the red giant branch (TRGB) or Cepheids); the limited number of such SN calibrators currently dominates the uncertainty budget in distance ladder Hubble constant (H 0 ) experiments. JWST/NIRCAM imaging of the Virgo Cluster galaxy NGC 4536 is used here to preview JWST program GO-1995, which aims to measure H 0 using three stellar distance indicators (Cepheids, TRGB, and J-branch asymptotic giant branch/carbon stars). Each population of distance indicator was here successfully detected—with sufficiently large number statistics, well-measured fluxes, and characteristic distributions consistent with ingoing expectations—so as to confirm that we can acquire distances from each method precise to about 0.05 mag (statistical uncertainty only). We leverage overlapping Hubble Space Telescope imaging to identify TRGB stars, crossmatch them with the JWST photometry, and present a preliminary constraint on the slope of the TRGB's F115W versus (F115W – F444W) relation equal to -0.99 ± 0.16 mag mag -1 . This slope is consistent with prior slope measurements in the similar Two Micron All-Sky Survey J band, as well as with predictions from the BaSTI isochrone suite. We use the new TRGB slope estimate to flatten the 2D TRGB feature and measure a (blinded) TRGB distance relative to a set of fiducial TRGB colors, intended to represent the absolute fiducial calibrations expected from geometric anchors such as NGC 4258 and the Magellanic Clouds. In doing so, we empirically demonstrate that the TRGB can be used as a standardizable candle at the IR wavelengths accessible with JWST.

79 ASTRONOMY AND ASTROPHYSICS

Flash Drought indicators at catchment scale for CONUS

Flash droughts are defined by the rapid onset and intensification of drought conditions - a feature common across various proposed indicators. However, the absence of a standardized definition and detection method makes them particularly difficult to anticipate and manage. This dataset includes flash drought classifications based on six different methods across 222 catchments (4-digit Hydrologic Units, HUC4) in the Contiguous United States (CONUS) from 1983 to 2023. It also includes the pairwise agreement between indicators and the event-level multi-indicator agreement. For a detailed description of each file, refer to README_MSDlive.pdf

Catchment scale

Indicators of carbon alteration (ICAs) suggest patterns in reservoir methane emissions

Reservoir operations influence emissions via multiple causal pathways. In this paper, we quantify indicators of carbon alteration (ICAs) focused on methane. ICAs were chosen to reflect the potential for methane emission along four causal pathways: 1) water column mixing, 2) wet-dry cycles in sediment, 3) sediment redistribution, and 4) vegetation. We developed algorithms to calculate ICAs for three reservoirs along a longitudinal gradient in the Tennessee River basin of the southeast US. The ICAs revealed interesting longitudinal patterns. Indicators of both methane production and destruction increased downstream. The potential for ebullitive methane emissions driven by sub-daily water level fluctuations and emissions mediated by vegetation were higher in downstream mainstem reservoirs than in the upstream tributary reservoir. Along the remaining two pathways, longitudinal patterns were equivocal (sediment pathway) or suggested decreased emissions downstream (water-column mixing). We also observed seasonal patterns and, by combining ICAs, inferred times when ramping could be achieved with lower risk of emissions. The ICAs demonstrated here are the first step in quantifying mechanistic relationships between reservoir operation and methane emissions. In future, they may lead to improved operations in reservoir cascades and regional-scale estimates of emissions that account for differences among reservoirs.

Greenhouse gases

Implementation Guide of Customer-Focused Key Performance Indicators for Electric Vehicle Charging

This report describes how individual and unique messages that are sent over in OCPP sessions and/or transactions are used to calculate the interim set of key performance indicators (KPI) established by ChargeX Consortium’s Working Group 1: Defining the Charging Experience in the report entitles “Customer-Focused Key Performance Indicators for Electric Vehicle Charging.

33 ADVANCED PROPULSION SYSTEMS

Implementation Guide of Customer-Focused Key Performance Indicators for Electric Vehicle Charging

This report describes how individual and unique messages that are sent over in OCPP sessions and/or transactions are used to calculate the interim set of key performance indicators (KPI) established by ChargeX Consortium’s Working Group 1: Defining the Charging Experience in the report entitles “Customer-Focused Key Performance Indicators for Electric Vehicle Charging.

33 - ADVANCED PROPULSION SYSTEMS

Customer-Focused Key Performance Indicators for Electric Vehicle Charging

To systematically improve the public charging experience, EV charging industry stakeholders need to define and measure it precisely. Many stakeholders currently measure aspects of the charging experience, but they typically employ metrics that are either operational in nature, such as charger uptime and mean time between failures, or composite customer satisfaction indices. To improve the customer experience most effectively, the industry needs metrics that define the charging experience from the perspective of the customer, not business operations. Furthermore, industry practitioners need granular metrics to know what specific aspects of the charging experience need improvement. This report defines such customer-focused metrics, called key performance indicators (KPIs).

33 - ADVANCED PROPULSION SYSTEMS

Revisiting the Anisotropic Complex Refractive Indices of Sodium Nitrate for Interpretation of the Reflectance Spectrum of Pressed Pellets

Reflectance spectroscopy is notoriously confounding in that the measured spectral response is highly dependent upon the morphology of the sample. Fortunately, all such perturbations are neatly encoded by the complex refractive index of the sample. Herein, we seek to quantitatively model the measured infrared reflectance spectrum of a specularly flat pressed pellet sample of the birefringent compound, sodium nitrate. Single crystals of sodium nitrate were synthesized via a slow evaporation process and spectroscopically analyzed using polarization-dependent infrared single-angle reflectance spectroscopy. The anisotropic complex refractive index was measured from 7500 to 300 cm-1 (1.33 to 33.33 µm). The deduced anisotropic optical constants were found to be consistent with those previously reported. Once measured and validated, the optical constants were applied to model the pressed pellet reflectance spectrum. It was evident that an average of the anisotropic refractive indices was insufficient to account for the measured pellet reflectance. In order to account for contributions of all possible microcrystalline orientations within the pellet, the Python package PYELLI was used to calculate a basis set of orientation-dependent reflection spectra spanning the distinct ? and ? Euler rotations of the uniaxial crystal. When the population of orientations was allowed to vary freely in a spectral fit analysis, the fit-deduced orientations were tightly clustered along f = 45º, hinting at residual anisotropy in the pressed pellet sample. Conversely, an equally valid spectral fit (with marginally worse fit metric) was obtained when the population was constrained to an isotropic distribution of orientations. Subsequent non-zero cross-polarization reflectance measurements likewise suggested anisotropy in the pellet. However, both grazing incidence wide-angle x-ray scattering and scanning electron microscopy measurements revealed that the microcrystal orientations at the surface of the pressed pellet sample were isotropically distributed (and that the average crystallite size was larger than ?/10). Application of the measured complex refractive indices for modeling the reflectance spectrum of the pressed pellet, and rectification of these seemingly contradictory observations will be discussed.

Wilhelm, Michael J.

Normalized Solar-Induced Fluorescence Responds Earlier Than Vegetation Indices to the 2019 North China Plain Drought

Recently, solar-induced chlorophyll fluorescence (SIF) from satellites has shown potential for evaluating vegetation status and stress responses. Fluorescence quantum yield ($Φ_F$) is essentially linked to vegetation stress. However, the complex physiological and structural responses of SIF and $Φ_F$ to drought need further study. This study normalized SIF as SIFn to account for angular variations and fluctuations in photosynthetically active radiation (PAR), aiming for more accurate drought monitoring. SIFn anomalies were compared to historical baselines (2019–2021 averages) of vegetation indices (VIs), raw SIF, and $Φ_F$ during a 2019 drought in the North China Plain (NCP). Here, the results show SIFn provides an effective method for drought monitoring, showing the earliest decline compared to raw SIF, VIs, and $Φ_F$. In the first two weeks of drought, SIFn decreased by 8.2%, 7.0%, 12.5%, and 8.2% across the four NCP subdivisions. SIFn outperformed other indicators, proving sensitive to early drought detection. SIFn was also examined for tracking drought alleviation by rainfall. The uncertainty under different viewing geometries was quantified. SIFn anomalies showed a strong correlation with rainfall anomalies (R: 0.45 ~ 0.52) and meteorological factors like PAR (R: 0.80 ~ 0.84) and relative humidity (R:0.52 ~ 0.54). The correlation of near-infrared reflectance (NIRv) and $Φ_F$ anomalies with SIF was weak during drought onset (R: 0.16 ~ 0.32) but strong at the end (R: 0.83 ~ 0.87). These suggest both canopy structure (mainly characterized by NIRv) and vegetation chlorophyll ($Φ_F$) are impacted by drought and influence SIF at different stages.

54 ENVIRONMENTAL SCIENCES

Empirical Indicators of Transmission Value in the Southeast United States

Concurrent differences in energy price between different parts of the electric grid are a key indicator of the value of additional transmission. In areas without a wholesale electricity market, such as the Southeast, an alternative indicator to price is the Federal Energy Regulatory Commission’s (FERC) system lambda data. This economic metric represents the minimized marginal production costs of thermal generators, including fuel and other variable operation and maintenance expenses. Balancing Authorities report a single system lambda for their entire balancing area. Most Southeastern lambdas exhibit sufficient price variation to support a transmission valuation analysis, although incomplete accounting of congestion costs or scarcity rents during peak load hours may underestimate the true value of transmission capacity. With transmission value defined as the annual average hourly absolute price difference between two regions and FERC’s system lambda data used as a price proxy, we find the following results in the Southeast region during 2012-2023 (reported in $\$2024$/MWh): Intra‐regional findings: Annual averages historically span $\$2$–$\$28$/MWh and average $\$12$/MWh in SERTP and span $\$4$–$\$19$/MWh and average $\$9$/MWh in FRCC, disregarding transmission value driven by anomalous data. The ranges of transmission value reported here are large, spanning an order of magnitude in some cases. Much of this variation is driven by year-to-year changes, with 2022 having a particularly high intra-regional transmission value due to elevated natural gas prices. Inter‐regional corridors: Annual average transmission values across three broader regions range from $\$6$ to $\$28$/MWh with a long-term average of $\$11$/MWh. Much of the transmission value is concentrated in a small portion of hours. Across all regions, severe weather—particularly polar vortex events in January 2018, February 2021, and December 2022—drives the largest price spreads. Seasonal patterns also emerge, with summer afternoons and fall mornings contributing consistently to transmission value, as for example between MISO and SOCO in 2023.

24 POWER TRANSMISSION AND DISTRIBUTION

RFID-Enabled Tamper-Indicating Seal

Tamper-indicating seals protect sensitive materials, valuable equipment, and critical shipments. Most conventional seals must be checked through manual visual inspection and do not provide a digital record of their condition. Some attempts to remove, alter, or bypass a seal may also leave little visible damage, making tampering difficult to identify during routine inspections. Los Alamos National Laboratory has developed a smart tamper-indicating seal that converts even subtle tampering into a persistent digital record. The seal communicates its identity and status wirelessly through standard radio-frequency identification (RFID) readers, giving organizations a faster, more reliable way to verify that an asset has remained secure.

99 GENERAL AND MISCELLANEOUS

A physics-based ensemble machine-learning approach to identifying a relationship between lightning indices and binary lightning hazard

To convert lightning indices generated by numerical weather prediction experiments into binary lightning hazard, a machine-learning tool was developed. This tool, consisting of parallel multilayer perceptron classifiers, was trained on an ensemble of planetary boundary layer schemes and microphysics parameterizations that generated four different lightning indices over 1 week. In a subsequent week, the multi-physics ensemble was applied and the machine-learning tool was used to evaluate the accuracy. Unintuitively, the machine-learning tool performed better on the testing dataset than the training dataset. Much of the error may be attributed to mischaracterizing the convection. The combination of the machine learning model and simulations could not differentiate between cloud-to-cloud lightning and cloud-to-ground lightning, despite being trained on cloud-to-ground lightning. It was found that the simulation most representative of the local operational model was the most accurate simulation tested.

54 ENVIRONMENTAL SCIENCES