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Structural evolution of iron coordination in proteins across Earth’s oxygenation history

Protein metal-binding sites support essential biological functions shaped by protein fold, subunit interactions, and cofactor chemistry. Because these sites encode both biochemical function and environmental constraint, they offer a route to connect protein evolution with changes in Earth’s surface environment through time. Of particular interest is iron (Fe), the most widely used metal in biology and a cofactor central to both anaerobic and aerobic metabolism. Here, we systematically compare the immediate chemical environments of functionally essential Fe-binding sites in three-dimensional protein structures to test whether Fe coordination spheres differ across oxygen contexts. Using a curated dataset of experimentally determined structures, we identify a clear shift in the local chemistry of Fe-binding environments from anaerobic to aerobic proteins. Aerobic Fe sites are significantly more hydrophilic than anaerobic ones, and amino-acid composition analyses show reduced cysteine use in aerobic Fe-binding neighborhoods. These patterns suggest that as Earth’s surface environments became more oxygenated, proteins retained Fe as a core redox metal while reconfiguring local coordination chemistry in ways less vulnerable to oxidative damage. More broadly, this study introduces and applies the Coordination Sphere Analysis and Comparison (CSAC) workflow, an open and archived Python workflow for extracting local metal-binding environments from structure datasets, providing a framework for linking metalloprotein structure to evolutionary and geobiological transitions across Earth history.

Discover Life

Multi-objective optimization of a hydro-economic model in an over-allocated agricultural basin

Groundwater depletion for agricultural irrigation poses significant environmental and economic challenges. This study introduces a proof-of-concept that combines hydro-economic modeling, scenario-based modeling, and multi-objective optimization to manage pumping curtailment in an over-allocated basin in the western United States. Three optimization scenarios were evaluated, each offering different degrees of management flexibility. Results reveal that scenarios with finer spatial resolution achieved greater environmental benefits per unit profit loss. Additionally, strategies allowing fractional reductions in curtailed wells–rather than complete shutdowns based on water rights seniority–substantially improved efficiency, highlighting the value of increased decision-making flexibility. Although scenario testing can aid stakeholder engagement and strategy exploration, multi-objective optimization provides a systematic framework to quantify tradeoffs between competing objectives. This combined approach demonstrates promise for building consensus and supporting the design of sustainable water management strategies that balance agricultural livelihoods with ecosystem preservation.

Oregon

Monitoring changes in Landsat thermal features in urban and non-urban interfaces from 1986 to 2023 in two international urban centers: Implications for climate and global issues

Rapid urbanization is reshaping thermal environments worldwide, with the strongest impacts occurring at the interface between urban and non-urban areas. Impervious surfaces, as key indicators of urban expansion, are critical for monitoring urban growth and assessing surface urban heat island (SUHI) effects. Land use and land cover change (LULCC) provides an essential link between urban dynamics and their environmental and societal consequences. Here, we integrated the U.S. Geological Survey (USGS) Climate Global Issues (CGI) Land Cover Product with Landsat thermal time-series to investigate SUHI evolution in two contrasting metropolitan regions: Wuhan, China, and Brasília, Brazil. Using data spanning 1986–2023, we analyzed the relationships between land cover, Landsat-based land surface temperature (LST), and SUHI intensity, and identified persistent thermal hotspots. Results demonstrate that the land cover data utilized increases the accuracy of impervious surface mapping along urban–rural gradients. Average SUHI intensities were 3.4 °C in Wuhan and 3.3 °C in Brasília, with statistically significant warming trends of 0.04 °C/year and 0.01 °C/year, respectively. Maximum temperature proved to be a robust indicator of SUHI intensification, capturing long-term upward trends. Our findings highlight the important role of urban land cover dynamics in shaping temporal SUHI variability and hotspot emergence. This prototype framework demonstrates the scientific and policy value of combining long-term land cover monitoring information with satellite thermal monitoring to quantify and track SUHI at city scale, supporting sustainable urban planning and climate adaptation strategies.

Remote Sensing

Flow heterogeneity controls dissolution dynamics in topologically complex rocks

Rock dissolution is a common subsurface geochemical reaction affecting pore space properties, crucial for reservoir stimulation, carbon storage, and geothermal energy. Predictive models for dissolution remain limited due to incomplete understanding of the mechanisms involved. We examine the influence of flow, transport, and reaction regimes on mineral dissolution using 29 time-resolved data from 3D rocks. We find that initial pore structure significantly influences the dissolution pattern, with reaction rates up to two orders of magnitude lower than batch conditions, given solute and fluid-solid boundary constraints. Flow unevenness determines the location and rate of dissolution. We propose two models describing expected dissolution patterns and effective reaction rates based on dimensionless metrics for flow, transport, and reaction. Finally, we analyze feedback between evolving flow and pore structure to understand conditions that regulate/reinforce dissolution hotspots. Our findings underscore the major impact of flow arrangement on reaction-front propagation and provide a foundation for controlling dissolution hotspots.

Geophysical Research Letters

Groundwater dependency and hydroclimatic influences on riparian and upland vegetation productivity, Upper San Pedro, Arizona, United States

In arid and semi-arid regions, groundwater sustains vegetation through subsurface water access, yet the responses of groundwater-dependent ecosystems (GDEs) to changing hydroclimate and groundwater availability are relatively understudied. This study investigates seasonal and spatial patterns in vegetation greenness using Landsat Enhanced Vegetation Index (EVI) values across riparian and upland zones in the semi-arid Upper San Pedro (USP) watershed, southern Arizona, which experiences a bimodal precipitation regime. We paired 25 years (2000–2024) of EVI and depth to groundwater (DTG) data from 89 wells and climate metrics (precipitation and vapour pressure deficit) to quantify the sensitivity of vegetation to subsurface moisture as well as atmospheric moisture supply and demand. Vegetation at wells near the USP riparian area showed strong associations between EVI and DTG anomalies during the monsoon season, indicating sustained groundwater use even during this wet period when summer precipitation is abundant. In contrast, upland vegetation that lacked access to groundwater showed minimal sensitivity in EVI to DTG and was generally less responsive to vapour pressure deficit. Interestingly, the riparian GDEs were not decoupled from precipitation and climate variability. These results underscore the importance of groundwater for maintaining riparian productivity and highlight the utility of remote sensing in identifying vegetation-climate-groundwater linkages across heterogeneous dryland landscapes.

Arizona

Transcriptional changes in wild Yukon River Chinook Salmon associated with Ichthyophonus infections

Objective We compared differentially expressed genes in Chinook Salmon Oncorhynchus tshawytscha with three divergent Ichthyophonus statuses (undetected, subclinical infections, or clinical disease; n = 100) to investigate associated transcriptomic responses. Disease associated with the fish parasite Ichthyophonus sp. was first diagnosed in adult Chinook Salmon from the Yukon River in the late 1980s and has subsequently been implicated in premature host mortality. Methods Chinook Salmon tissue sample collections and Ichthyophonus infection data were leveraged from a multi-agency collaboration during summer 2022 at three locations along the main-stem Yukon River that spanned nearly 2,000 km of freshwater migration (lower, middle, and upper river). We sequenced the transcriptome and compared this to infection status based on routine diagnostic procedures. Results Among the 17,569 genes for which messenger RNA was detected, we identified a transcription signature in the skeletal muscle that was associated with Ichthyophonus infections and included 53 differentially expressed genes. The differentially expressed genes and their pathways included those known for involvement in immune functions, energy synthesis, cellular breakdown, and reproduction—all processes that are known to be influenced by senescence during spawning migrations. Conclusions Results demonstrate a clear transcriptional difference between diseased fish (clinical disease group) and those in which Ichthyophonus was undetected, including identifying candidate markers for infection in this population. These results provide a foundation for development of nonlethal biomarkers to evaluate potential Ichthyophonus infections in Chinook Salmon based on gene transcription, protein products, or gene variants (e.g., polymorphisms).

Journal of Aquatic Animal Health

Drone-based radiometric surveys provide high-resolution mine waste characterization

Airborne radiometric surveys use passive geophysical techniques to characterize geochemical variations at or near earth’s surface. These methods have been used for a variety of mapping applications, including mineral resource evaluation. However, detailed characterization of smaller geologic targets, including mine waste features, requires flying at lower altitudes and with tighter line spacing than is feasible with traditional aircraft. Here, a small uncrewed aircraft system (sUAS) equipped with a radiometric sensor was used to acquire high-resolution gamma-spectrometry over small mine waste features and a low-grade stockpile in southwestern New Mexico. The sUAS radiometric system mapped local variability within each survey area and revealed ~2–10 m wide zones where radioelements K, Th, and U may be elevated 2–10× the surrounding material. Additionally, the sUAS radiometric data revealed radioelement variability across survey sites, which correlated reasonably well with variability seen in geochemical samples at each survey site, even though samples collected from individual sites showed high local variability. The sUAS data characterized local heterogeneity within mine waste and other small geologic targets at scales of a few meters to tens of meters, which is not possible with traditional crewed aircraft, and with continuity of coverage that is not possible with ground surveys, thus filling a key gap in geophysical survey spatial resolution.

New Mexico

Cold blood in warming waters: Effects of air temperature, precipitation, and groundwater on Gulf Sturgeon thermal habitats in a changing climate

Objective In a changing climate, the effects of air temperature, precipitation, and groundwater on water temperature and thermal habitat suitability for Gulf Sturgeon Acipenser desotoi , listed as threatened under the U.S. Endangered Species Act, are not well understood. Hence, we incorporated these factors into thermal habitat models to forecast how Gulf Sturgeon may be affected by wide‐ranging climate change scenarios in 2024–2074. Methods Using data from the Choctawhatchee River, Florida, we developed precipitation‐ and groundwater‐corrected air–water temperature models, compared their accuracy with that of conventional air–water temperature models used in fisheries management, and projected future Gulf Sturgeon thermal habitat suitability for normal physiological functioning and fieldwork (i.e., population sampling and telemetry surgeries) in summer (May–August) under 16 climate change scenarios. Result Precipitation‐ and groundwater‐corrected models were more accurate than conventional air–water temperature models (mean improvement in adjusted R 2 = +0.45; range = +0.09 to +0.75). Water temperature was projected to warm at widely variable rates across climate change scenarios encompassing different air temperature, precipitation, and groundwater regimes. Importantly, Gulf Sturgeon summer aggregation areas were cooler and influenced more by precipitation and groundwater and less by air temperature than were non‐aggregation areas. If precipitation and groundwater—as drivers of cooling—become warm in a changing climate, summer aggregation areas were projected to exhibit thermal habitat degradation equivalent to or greater than that of non‐aggregation areas. Conclusion Our results add hydrological context to the premise that aggregation areas provide cool water and energetic savings for Gulf Sturgeon during summer, underscoring the importance of protecting these habitats through groundwater conservation, water quality monitoring, and riparian/watershed habitat management. Our findings indicate that identifying thermally appropriate times for fieldwork activities will be increasingly important and time‐restricted as climate change intensifies. However, our research provides managers with a portfolio of water temperature models and an accurate, cost‐effective, management‐relevant approach to forecasting thermal habitat conditions for Gulf Sturgeon and other species in a changing climate.

Alabama, Florida

Towards mobile wind measurements using joust configured ultrasonic anemometer for applications in gas flux quantification

Small uncrewed aerial systems (sUASs) can be used to quantify emissions of greenhouse and other gases, providing flexibility in quantifying these emissions from a multitude of sources, including oil and gas infrastructure, volcano plumes, wildfire emissions, and natural sources. However, sUAS-based emission estimates are sensitive to the accuracy of wind speed and direction measurements. In this study, we examined how filtering and correcting sUAS-based wind measurements affects data accuracy by comparing data from a miniature ultrasonic anemometer mounted on a sUAS in a joust configuration to highly accurate wind data taken from a nearby eddy covariance flux tower (aka the Tower). These corrections had a small effect on wind speed error, but reduced wind direction errors from 50° to >120° to 20–30°. A concurrent experiment examining the amount of error due to the sUAS and the Tower not being co-located showed that the impact of this separation was 0.16–0.21 ms − 1 "> ms − 1 , a small influence on wind speed errors. Lower wind speed errors were correlated with lower turbulence intensity and higher relative wind speeds. There were also some loose trends in diminished wind direction errors at higher relative wind speeds. Therefore, to improve the quality of sUAS-based wind measurements, our study suggested that flight planning consider optimizing conditions that can lower turbulence intensity and maximize relative wind speeds as well as include post-flight corrections.

Alaska

The 2025 Puerto Rico and Virgin Islands U.S. National Seismic Hazard Model Update: Ground motion model selection and comparison

We evaluate, select, and describe the ground-motion models (GMMs) used in the 2025 update of the U.S. National Seismic Hazard Model (NSHM) for Puerto Rico and the U.S. Virgin Islands (PRVI). We identify the most appropriate models that align with GMM selection criteria for use in the PRVI region to improve the accuracy of seismic hazard assessments. The update incorporates globally applicable GMMs suited for the active crustal and subduction earthquakes in the region. We include region-specific adjustments to these GMMs derived from local site response analyses derived from ground motion records. The unadjusted and regionally-corrected GMMs are combined to create a robust model for predicting median ground motion. The model integrates epistemic uncertainty through a median ground motion logic tree that accounts for variations in magnitude and distance. This study compares the GMMs selected for the 2025 PRVI NSHM, including both as-provided and regionally adjusted NGA-West2 and NGA-Subduction models, with those used in the 2003 PRVI NSHM. We evaluate how changes in model selection, weighting, aleatory variability, and epistemic uncertainty influence seismic hazard estimates. Trends with distance, magnitude, and spectral period are analyzed to evaluate how the scaling behavior of the newer GMMs differs from that of earlier models. Relative to the GMMs used in the 2003 NSHM for this region, the 2025 models generally predict lower ground motions. Comparisons with additional GMMs indicate that the adjustments applied for PRVI are consistent with regional-specific modifications developed elsewhere globally. The increase in aleatory variability and epistemic uncertainty in the 2025 update results in a notable increase in hazard levels from these wider uncertainty bounds. These changes can result in as much as a 10%–20% variation in probabilistic ground motion at the 2% in 50 years exceedance level for hazard maps computed across the region for representative site classes and periods.

Puerto Rico, Virgin Islands

Road salt collection and redistribution at an urban rain garden on sandy soil, Gary, Indiana

Rain gardens installed as green infrastructure to divert storm runoff from entering combined sewers also collect dissolved constituents and particulates. An urban rain garden in northwestern Indiana, USA, was continuously monitored from November 2019 to May 2021 to evaluate the fate of dissolved constituents entering the rain garden in runoff. Physical and chemical properties of soils in the rain garden were also monitored, along with underlying groundwater. Linear regression models relating specific conductance to chloride concentration indicated that the 0.0371-ha (3998 square feet) rain garden collected approximately 1490 kg (3285 pounds) of road salt from the surrounding 0.2228 ha (24,500 square feet) of impervious surfaces. Soils and groundwater were seasonally affected by road salt application but carryover from year to year was not indicated. Rain garden soil permeability (5.20 × 10 −5 to 9.72 × 10 −5 m/s) remained unchanged during the study period and soil organic carbon generally increased under native vegetation. The results suggest that a rain garden built on sandy soil can divert substantial quantities of runoff and dissolved constituents from combined sewers; however, chloride is transported to sub-infrastructure groundwater that eventually discharges to adjacent waterways with concentrations lower than those observed in runoff.

Indiana

Preconditioned Conjugate-Gradient 2 (PCG2), a computer program for solving ground-water flow equations

This report documents PCG2: a numerical code to be used with the U.S. Geological Survey modular three-dimensional, finite-difference, ground-water flow model. PCG2 uses the preconditioned conjugate-gradient method to solve the equations produced by the model for hydraulic head. Linear or nonlinear flow conditions may be simulated. PCG2 includes two reconditioning options: modified incomplete Cholesky preconditioning, which is efficient on scalar computers; and polynomial preconditioning, which requires less computer storage and, with modifications that depend on the computer used, is most efficient on vector computers. Convergence of the solver is determined using both head-change and residual criteria. Nonlinear problems are solved using Picard iterations. This documentation provides a description of the preconditioned conjugate gradient method and the two preconditioners, detailed instructions for linking PCG2 to the modular model, sample data inputs, a brief description of PCG2, and a FORTRAN listing.

Water-Resources Investigations Report

Updating regional‐scale geospatial liquefaction models with locally available geotechnical data

We present a method to update the geospatial liquefaction model used by the U.S. Geological Survey’s near‐real‐time ground failure product with subsurface geotechnical data. The geospatial model estimates liquefaction probability from peak ground velocity (via ShakeMap) and geospatial susceptibility proxies. In many regions, additional information relevant to constraining liquefaction likelihood is also available, including surface geology maps and subsurface geotechnical measurements. There is currently no mechanism to use these data in the ground failure product liquefaction model, even though these data could provide more precise constraints on spatial variations in the lithologic character of the soil (surface geology) and direct measurements of the subsurface mechanical properties that affect liquefaction occurrence and severity (geotechnical measurements). In this study, we develop a method to integrate these data with the geospatial model and assess how these data can improve regional‐scale predictions. We develop a Bayesian updating framework and apply it to the 1989 magnitude 6.9 Loma Prieta, California, earthquake, for which mapped observations are available to evaluate performance. We constrain the Bayesian framework with 373 Northern California cone penetration tests and liquefaction susceptibility classes based on the mapped surface geology. This Bayesian model incorporates geotechnical information into the geospatial model and more accurately predicts liquefaction occurrences than the geospatial model, while sacrificing less accuracy in terms of predicting the absence of liquefaction than the geotechnical model. In future applications, this approach could be adapted to update other geospatial models using locally available subsurface data.

California

Metal mobilization from thawing permafrost to aquatic ecosystems is driving rusting of Arctic streams

Climate change in the Arctic is altering watershed hydrologic processes and biogeochemistry. Here, we present an emergent threat to Arctic watersheds based on observations from 75 streams in Alaska’s Brooks Range that recently turned orange, reflecting increased loading of iron and toxic metals. Using remote sensing, we constrain the timing of stream discoloration to the last 10 years, a period of rapid warming and snowfall, suggesting impairment is likely due to permafrost thaw. Thawing permafrost can foster chemical weathering of minerals, microbial reduction of soil iron, and groundwater transport of metals to streams. Compared to clear reference streams, orange streams have lower pH, higher turbidity, and higher sulfate, iron, and trace metal concentrations, supporting sulfide mineral weathering as a primary mobilization process. Stream discoloration was associated with dramatic declines in macroinvertebrate diversity and fish abundance. These findings have considerable implications for drinking water supplies and subsistence fisheries in rural Alaska.

Alaska

USGS addresses needs for lithium calibration and quality control materials for pLIBS analysis

Lithium (Li) is a globally important commodity used for energy storage, national defense, human health, and advanced technologies. Lithium resource development requires identifying deposits with elevated concentrations and optimal mineralogy, typically associated with select clays and pegmatites. Lithium is a light, highly reactive alkali metal with low atomic mass that is difficult to detect and quantify using conventional portable geochemical techniques such as X-ray fluorescence (XRF). However, portable laser-induced breakdown spectroscopy (pLIBS) is a powerful analytical technique for lithium exploration due to its ability to analyze solids quickly with minimal preparation. The expanded utility of pLIBS is hampered by the lack of matrix-matched calibration and quality control (QC) materials. The United States Geological Survey (USGS) has developed in-house lithium calibration and QC materials for lithium in clay and pegmatite matrices to address this limitation. We present the workflow and implementation of a custom-built matrix specific calibration on a SciAps Z-300 pLIBS, using proprietary Profile Builder software. The implementation of the custom calibration and quality control standards enables us to collect semiquantitative results directly from the pLIBS while in the field. Ultimately, this calibration has improved confidence in sample selection and collection in the field, providing more efficient site characterization.

Conference Paper

Earth Mapping Resources Initiative protocols—Sampling hard-rock mine waste and perpetual mine water sources

Supporting the overarching goal to evaluate critical minerals nationwide, the mine waste characterization effort in the U.S. Geological Survey (USGS) Earth Mapping Resources Initiative has created a series of protocols to standardize sampling carried out under this effort by the participating State geological surveys and their cooperators. The protocols are based on published, reviewed methods that can be deployed in the field. The protocols include (1) collecting and processing composite samples of mine and mill waste, including tailings, waste rock, gangue, heap leach piles, ore stockpiles, slag, or other mineralized and processed materials and (2) collecting and preserving water samples from perpetual or long-term mine water sources. The protocols also specify information to document on field sheets and detail the collection of geospatial data. The analytical methods used by the USGS and USGS contract laboratories are described in this report, including the data delivery pathway for USGS-derived data.

Scientific Investigations Report

U.S. Geological Survey geomagnetic variometer data: Capitalizing on seismic infrastructure

The U.S. Geological Survey’s Geomagnetism Program is collaborating with the Earthquake Hazards Program and Global Seismographic Network Program to densify magnetic field observations. This collaboration focuses on the installation of magnetometers, or magnetic variometers, at existing seismic stations. Along with improving the density of space weather observations for hazard monitoring, these data can be used to correct colocated magnetic field induced noise in seismic data. Such corrections are especially useful during time periods of large magnetic storms where the magnetic field‐induced instrument noise can be of similar amplitude to earthquake ground‐motion records.

contiguous United States