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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

Critical Minerals in Ores (CMiO) database

Critical minerals are commodities essential to modern industrial and strategic technologies and are highly vulnerable to supply chain disruption. The Critical Minerals Mapping Initiative (CMMI) is a collaboration among the U.S. Geological Survey (USGS), the Geological Survey of Canada, and Geoscience Australia that aims to deepen global understanding of where critical minerals are located. A key output of this initiative is the Critical Minerals in Ores (CMiO) database that is advancing our collective understanding of critical minerals distributions. For instance, publicly available data on the concentrations of many critical minerals are sparse because these commodities can only be produced in small, yet essential, quantities compared to the primary commodities like copper and zinc. The CMiO database helps bridge this gap by offering high-quality, multielement geochemical data from a wide variety of critical mineral-bearing deposits around the world. Importantly, it uses a novel consensus deposit environment, group, and type classification scheme developed by the agencies that allows comparisons among ore deposits from different regions. The CMiO database contains geochemical data for more than 20,000 samples from more than 100 deposit types comprising 10 deposit environments.

Fact Sheet

Characterization and validation of tidally calibrated strains from the Alto Tiberina Near Fault Observatory Strainmeter Array (TABOO-NFO-STAR)

Six horizontal borehole tensor strainmeters (TSM1-6) installed from Fall 2021 to Spring 2022 comprise the Alto Tiberina Near Fault Observatory Strainmeter Array (STAR), providing an unprecedented opportunity to investigate seismic and aseismic deformation from hazardous high- and low-angle normal faults in Italy. Prior to use in tectonic applications, they require in-situ calibration and correction for non-tectonic signals. We tidally calibrate the instruments, characterize the calibration uncertainty, and test the results against environmental and earthquake signals originating from local to teleseismic distances. The STAR sites demonstrably deviate from assumptions common to the standard manufacturer's calibrations, including negative areal coupling at TSM3-6. While the tidally calibrated strains have ~3-56% uncertainty, the calibrated dynamic strains show interstation precision and accuracy to nanostrain levels, and static coseismic offsets in the array footprint are within uncertainty. TSM3 records a complex series of strains that may arise from dynamically triggered near-borehole fracture slip and fluid flow that does not appear to affect its sensitivity to lower strain rate deformation. Future calibration improvement may be afforded with longer stable timeseries, particularly for TSM4. Overall, our analyses demonstrate expanded geodetic capability for detecting deformation in the Alto Tiberina Near Fault Observatory.

Alto Tiberina Near Fault Observatory

A three-dimensional geologic framework model of the northern Great Plains region of Montana, North Dakota, South Dakota, and Wyoming, USA

This report presents a new three-dimensional geologic framework model (GFM) of the northern Great Plains region, encompassing parts of Montana, North Dakota, South Dakota, and Wyoming. The model provides a regionally consistent, geographic information system (GIS)-ready representation of Phanerozoic sedimentary strata, major fault systems, and Precambrian basement geometry across two sedimentary basins and adjacent uplifts. More than 300,000 geologic and geophysical data inputs were synthesized to model 41 stratigraphic horizons and 47 faults, yielding an internally coherent, sealed-volume interpretation of the subsurface. The modeling workflow developed for this study demonstrates an efficient and scalable approach for constructing basin-to regional-scale GFMs in geologically complex and data-variable settings. Although model fidelity varies with data density and quality, the resulting geometry is broadly consistent with 1:500,000-scale geologic mapping and highlights areas where additional geologic study is most needed. The three-dimensional GFM provides a foundational framework to support groundwater, energy, and mineral resource assessments, and offers a transferable methodology for potential future U.S. Geological Survey efforts to build large-area subsurface models in underexplored regions of the United States.

Montana, North Dakota, South Dakota, Wyoming

Integrating Sr isotopes, microchemistry, and genetics to reconstruct Salmonidae species and life history

Recent approaches to fisheries research emphasize the importance of the coproduction of knowledge in building resilient and culturally mindful fisheries management frameworks. Despite widespread recognition of the need for Indigenous knowledge and historical reference points as baseline data, archaeological data are rarely included in conservation biology research designs. Here we propose a novel multiproxy method to learn from former fisheries stewards by generating archaeological data on past salmonid population parameters. We used a newly developed, high throughput qPCR (HT-qPCR) chip, originally designed for environmental DNA (eDNA), for species identification of archaeological salmonid vertebrae. We combine this with the laser ablation split-stream (LASS) approach to identify ocean-migration versus freshwater residency. We test this multidisciplinary approach using both contemporary and archaeological salmonid samples and new radiocarbon dates from the Tronsdal Site on the Skagit River, Washington State, USA. This is a useful approach for extracting information about Salmonidae species and life history diversity from archaeological remains to reconstruct historic baselines for several population parameters in anadromous species with long periods of freshwater residency. The approach outlined in this paper may be particularly useful for research investigating past fisheries dynamics, offering hundreds to thousands of years of temporal depth for modern fisheries management, harvest policies, restoration ecology, and conservation biology.

Idaho, Oregon, Washington

Digitizer Suite: The Albuquerque Seismological Laboratory Digitizer Testing Suite

Laboratory testing of digitizers and seismometers helps ensure that prior to deployment the instrumentation can produce high quality data and is operating within specifications. In this work we detail the software package called: the Albuquerque Seismological Laboratory (ASL) Digitizer Test Suite. This Java software package provides several algorithms to verify various performance parameters of digitizers commonly used for recording analog seismic instruments. The goal of these tests is not to be exhaustive, but to identify common failures that could compromise the integrity of seismic data being recorded on the digitizer. For example, Sandia National Laboratories (e.g., Slad and Merchant, 2018) routinely do comprehensive testing of digitizers for various monitoring missions. While these tests reports are valuable for comprehensively characterizing a recording system, it would be resource intensive to conduct such tests on every seismic recorder used in a network. We focus on tests that include ways to estimate the sensitivity, timing, self-noise, and clip-level of the digitizer, as well as the fidelity of the signal being recorded. The software is publicly available and provides a way for the community to verify the integrity of a digitizer using a minimum amount of outside equipment.

Seismological Research Letters

Estimating domestic self-supplied water use in Rhode Island, 2014–21

Water withdrawal from private groundwater wells is often unaccounted for in water planning studies, and water from private wells can be a source of exposure to environmental contaminants. The sizes of populations that depend on private wells for domestic water use and the amounts of water that are withdrawn from these wells are generally poorly represented in data collection efforts because of the challenges of locating, metering, or gathering withdrawal information from individual property owners. To address this problem, the U.S. Geological Survey, in cooperation with the Rhode Island Water Resources Board, estimated the volume of water withdrawn from domestic self-supply wells and the populations who use them for the State of Rhode Island at a 30-meter pixel spatial resolution and one-month temporal resolution between July 2014 and June 2021. The number of people reliant on domestic self-supply wells has increased in Rhode Island over the study period; however, the statewide estimate of total water withdrawal has not statistically increased. Withdrawals from private wells are largest in the inland areas of the western part of the State, and the towns of Scituate and Charlestown have the highest estimated withdrawals. Statewide monthly withdrawals ranged from 3.987 million gallons per day in March 2018 to 7.767 million gallons per day in September 2016. The median per capita domestic water use rate was 46.0 gallons per capita per day.

Rhode Island

3D semantic mapping of surface geological features

Semantic mapping in 3D is fundamental to a wide range of geoscientific studies and applications, including geomorphology, hazard assessment, and environmental monitoring. However, automatically segmenting geological features from large-scale photogrammetric datasets remains a significant challenge. We present a methodology to address this gap. Using overlapping images collected over environments of interest, Structure-from-Motion (SfM) produces georeferenced point clouds and estimates camera poses. Existing large vision models, such as Segment Anything Model, segment objects in the images, generating pixel-segmentation associations. To produce pixel-point associations, we project the points back onto the camera image planes. As objects are independently segmented across multiple images with different perspectives, we develop a segmentation mosaicking algorithm to build probabilistic point-segmentation associations that combines the pixel-segmentation associations and pixel-point associations. Our methodology is validated using both synthetic data generated by Kubric and real-world UAV-SfM data. The implementation is designed to be compatible with existing SfM software, including Agisoft and OpenDroneMap, for photogrammetry mapping in geoscience studies. As a case study, we apply our method to the semantic mapping of precariously balanced rocks (PBRs), which provide upper-bound constraints on historical ground motion shaking intensity. To support object-level identification of PBRs, we additionally integrated Grounding DINO, enabling text-prompted segmentation of features of interest within UAV imagery. This case study demonstrates the effectiveness of our method in generating a 3D semantic map of PBRs, enabling spatial distribution of PBR fragility for earthquake hazard analysis.

Computers & Geosciences

High-pass corner frequency selection and review tool for use in ground-motion processing

Raw seismological waveform data contain noise from the instrument’s surroundings and the instrument itself that can dominate recordings at low and high frequencies. To use these data in ground‐motion modeling, the effects of noise on the signals must be reduced and the signals’ usable frequency range identified. We present automated procedures to efficiently reduce low‐frequency noise that are implemented in the software package gmprocess. These procedures check for, and as needed remove, low‐frequency artifacts in the displacement record using polynomial fits, which can be used in combination with existing signal‐to‐noise ratio (SNR)‐based corner‐frequency selection procedures. The automated selections are then efficiently verified and refined using a graphical user interface (GUI) that plots relevant ground‐motion time series and spectra and tracks modifications to signal processing parameters. We demonstrate these procedures using recordings from the 2020 M 5.1 Sparta, North Carolina, and the 2013 M 4.7 southern Ontario earthquakes. Data processed with the SNR‐only and polynomial criteria for these events contain displacement artifacts in 37% and 23% of processed traces, respectively. Records with remaining artifacts are corrected manually using the GUI. These processing steps illustrate the workflow for efficient data processing with quality control.

Seismological Research Letters

Non-radiometric borehole geophysical detection of geochemical halos surrounding sedimentary uranium deposits

Roll-type uranium deposits are formed by the concentration of uranium by ground water in geochemical cells. Non-uranium minerals having different solubilities may be deposited ahead of or behind the uranium minerals, forming halos that surround the ore. In addition, oxidizing and reducing environmental conditions may cause zones of mineral alteration to develop beyond the limits of the uranium deposit. Certain physical property anomalies that are commonly associated with halos can be detected by relatively fast and inexpensive borehole geophysical measurements made either in individual holes, or between two adjacent holes. Borehole measurements that have been found to be useful include electrical resistivity, induced polarization, and magnetic susceptibility. Electrical resistivity is increased by the presence of calcite and other cementing minerals that sometimes create permeability barriers in the neighborhood of uranium deposits. Induced polarization (IP) response is increased by sulfide and clay minerals that are commonly found in anomalous concentrations near roll-type deposits. Magnetic susceptibility is usually decreased by the oxidation of magnetite to hematite or limonite in the zone of chemical alteration that is left as a trail behind roll fronts. Borehole measurements of electrical resistivity, induced polarization and magnetic susceptibility were made in the vicinity of a uranium roll-type deposit in south Texas. Results indicate that mineral halos can be detected by borehole measurements made. in wide-spaced drill holes, and that the total amount of drilling needed to find a deposit can be reduced substantially by this exploration approach.

Open-File Report

Factors regulating the potential for freshwater mineral soil wetlands to function as natural climate solutions

There are increasing global efforts and initiatives aiming to tackle climate change and mitigate its impacts via natural climate solutions (NCS). Wetlands have been considered effective NCS given their capacity to sequester and retain atmospheric carbon dioxide (CO 2 ) while also providing a myriad of other ecosystem functions that can assist in mitigating the impacts of climate change. However, wetlands have a dual impact on climate, influencing the atmospheric concentrations of both CO 2 and methane (CH 4 ). The cooling effect associated with wetland CO 2 sequestration can be counterbalanced by the warming effect caused by CH 4 emissions from wetlands. The relative ability of wetlands to sequester CO 2 versus emit CH 4 is dependent on a suite of interacting physical, chemical, and biological factors, making it difficult to determine if/which wetlands are considered important NCS. The fact that wetlands are embedded in landscapes with surface and subsurface hydrological connections to other wetlands (i.e., wetlandscapes) that flow over and through geochemically active soils and sediments adds a new layer of complexity and poses further challenges to understanding wetland carbon sequestration and greenhouse gas fluxes at large spatial scales. Our review demonstrates how additional scientific advances are required to understand the driving mechanisms associated with wetland carbon cycling under different environmental conditions. It is vital to understand wetland functionality at both wetland and wetlandscape scales to effectively implement wetlands as NCS to maximize ecological, social, and economic benefits.

Wetlands

Speleothem evidence for Late Miocene extreme Arctic amplification – An analogue for near-future anthropogenic climate change?

The Miocene provides an excellent climatic analogue for near-future runaway anthropogenic warming, with atmospheric CO 2 concentrations and global average temperatures similar to those projected for the coming century under extreme-emissions scenarios. However, the magnitude of Miocene Arctic warming remains unclear due to the scarcity of reliable proxy data. Here we use stable oxygen isotope and trace element analyses, alongside clumped isotope and fluid inclusion palaeothermometry of speleothems to reconstruct palaeo-environmental conditions near the Siberian Arctic coast during the Tortonian (8.68 ± 0.09 Ma ). Stable oxygen isotope records suggest warmer-than-present temperatures. This is supported by temperature estimates based on clumped isotopes and fluid inclusions giving mean annual air temperatures between + 6.6 and + 11.1 °C , compared with − 12.3 °C today. Trace elements records reveal a highly seasonal hydrological environment. Our estimate of > 18 °C of Arctic warming supports the wider consensus of a warmer-than-present Miocene and provides a rare palaeo-analogue for future Arctic amplification under high-emissions scenarios. The reconstructed increase in mean surface temperature far exceeds temperatures projected in fully coupled global climate models, even under extreme-emissions scenarios. Given that climate models have consistently underestimated the extent of recent Arctic amplification, our proxy data suggest Arctic warming may exceed current projections.

Lena River delta

Escherichia coli monitoring and assessment in 2022 and 2023 after beach restoration at Lake St. Clair Metropark Beach, Macomb County, Michigan

Lake St. Clair Metropark Beach in Michigan has a history of closures because of elevated Escherichia coli ( E. coli ) concentrations in its recreational waters. To reduce closures, restoration projects were implemented in 2021 to deter waterfowl from congregating on the beach. In this study, the U.S. Geological Survey, in cooperation with the Michigan Department of the Environment, Great Lakes, and Energy and in collaboration with Huron-Clinton Metroparks and the Macomb County Health Department, monitored E. coli from 2022–23 in surface water, shallow groundwater, and sediment at Lake St. Clair Metropark Beach. Results were compared to data from a prerestoration (2018–19) study. A significant decrease in daily geometric mean E. coli concentrations in surface water was observed postrestoration, but the number of high concentration events increased. This resulted in more frequent beach closures postrestoration. Surface-sediment E. coli concentrations significantly decreased after restoration, and waterfowl populations generally decreased from 2021 to 2023, suggesting that the deterrence measures could be influencing E. coli concentrations in surface sediments and surface water. Groundwater E. coli concentrations were orders of magnitude higher than those in surface water and revealed no change correlated with restoration. Seepage measurements indicated that groundwater occasionally discharges into surface water, potentially providing a transport mechanism for E. coli to reach the lake. Continued monitoring and consideration of environmental factors could help to better understand the beach system.

Michigan

Managing basin-scale carbon sequestration: A tragedy of the commons approach

The Tragedy of the Commons is a well studied problem in the literature of ecology, economics, and environmental policy which illustrates the deleterious consequences of managing common pool resources when individual and social incentives are misaligned. In this work, we apply a simple model of carbon sequestration in a deep saline aquifer by two neighboring geologic CO 2 storage (GCS) operators to begin investigating if a Tragedy of the Commons framework applies to GCS. Specifically, we consider the pressure space as a “commons” because the injection by each firm at its own well increases the downhole injection pressure at both wells. We assume that a firm will decrease its injection rate if the downhole pressure at its well exceeds a predefined maximum (i.e., exceeds the “pressure limit”). With this assumption in place, we find that the same injection flowrates are optimal for both wells, regardless of whether they are owned by the same firm or competing firms. This suggests that GCS may not be best represented by a pure Tragedy of the Commons framework under our initial assumptions. However, there could be economic incentives or contractual obligations that may result in either or both GCS operators being unwilling to reduce their injection rates. Thus, we conclude the conference paper with a discussion of future extensions of our approach that may demonstrate closer alignment with the Tragedy of the Commons, including explicit definitions of pore-space rights, firm uncertainty regarding the parameters of the Theis equation, and the potential role of unitization.

Conference Paper

Core microbiomes as a potential fingerprinting method of Western USA dust sources

Introduction: Changing frequency and intensity of dust emissions impacts ecosystems and human health. Dust carries microbes, nutrients, heavy metals, and other materials that may change environmental biogeochemistry at deposition sites. Identifying dust sources provides key information on where and when mitigation strategies should be employed. However, commonly used geochemical or isotopic tracers are often not capable of distinguishing between geographic regions. Methods: We explored whether soil bacterial communities may provide distinct fingerprints of dust sources in the western United States. We identified bacterial core communities of dust from ten locations monitored by the National Wind Erosion Research Network (NWERN) with varied land use (cropland, rangeland, and playa), and compared communities to location, soil, and regional characteristics. Samples were collected monthly from Modified Wilson and Cooke (MWAC) samplers, composited by season (spring, summer, and fall), and analyzed using 16S rRNA sequencing. Results: We found distinct bacterial core communities that reflected dust source characteristics. In order of importance, precipitation levels ( p = 0.0001), location ( p = 0.0001), soil texture ( p = 0.0001), seasonality ( p = 0.0001), and elevation (p = 0.0002) were correlated with bacterial community composition. Discussion: Distinct bacterial core communities were associated with site characteristics such as biocrusts, playas, and military base proximity. Our results suggest that the use of core microbiomes may offer a fingerprinting method to identify dust source regions.

Colorado, Nevada, New Mexico, North Dakota, Oklaho

Estimating the importance of floating surface material to the total phosphorus transport in Silver Creek, Wisconsin using Particle Image Velocimetry

Various techniques are used to estimate nutrient delivery in streams that combine flow and water-quality data. However, the transport of surface floating material is difficult to measure, and is therefore typically neglected when stream sampling and in the estimated nutrient delivery. Here, we describe an approach to estimate the amount of material (duckweed ( Lemna genus), filamentous algae, and other macrophyte fragments) and associated nutrients (in this case, phosphorus, P) transported on the surface of Silver Creek, Wisconsin, to determine if this material is an important transport mechanism and if historical P loads were underestimated. This approach includes estimating the transport of surface material using 10 s videos collected every 15 min from a downward-looking camera installed beneath a bridge. The average velocity of the surface material was first determined using Large-Scale Particle Image Velocimetry (LSPIV), which uses short videos to analyze surface particle movement. The amount of surface material in each video was then computed using computer-vision techniques. The P load associated with the transported surface material was then estimated by combining surface velocities, coverage of floating material, and laboratory-measured P content. Surface material transported ~9–11% of the total summer P load and ~4–7% of the annual load in Silver Creek.

Wisconsin

Relating glassy rind thicknesses to ambient air temperatures at the Lost Jim flow field in the Imuruk Lake volcanic field, Alaska

The Lost Jim flow field, in the Imuruk Lake volcanic field, Alaska, extends west ~34 km from a single vent, crossing subarctic tundra and currently touches several lakes and streams. The weighted mean of five 36Cl cosmogenic exposure ages from the Lost Jim pāhoehoe flow is 7.73 ± 0.37 ka, indicating this eruption occurred substantially after the eruption of the underlying Camille flow, which was emplaced at 39.7 ± 1.3 ka. Paleoclimate records indicate the period when the Lost Jim flow field was emplaced was after deglaciation, and the climate was similar to today. We propose that the emplacement of lava in these cold subarctic conditions can lead to faster cooling of the lava surface compared to lava emplaced in warmer locations such as mid- latitude cold deserts. Glass abundance in the outermost rinds at the Lost Jim flow field was on average 74 % with 6.4 mm thick rims, compared to 60 % with 2.9 mm rims for cold mid-latitude desert samples. We interpret increased glass content as a proxy for rapid cooling likely occurring partly during winter. Glassiness values varied less across vent, margin, and mid-flow locations when compared to the mid-latitude flows suggesting the Lost Jim flow field was broadly impacted by the subarctic climate as opposed to responding to local microclimates. Our results indicate that lava glassiness may be a useful environmental indicator of cooler (in this case subarctic) conditions.

Alaska

Revision of ModelMuse to support the use of PEST software with MODFLOW and SUTRA models

Executive Summary ModelMuse is a graphical user interface for several groundwater modeling programs. ModelMuse was updated to generate the input files for the parameter estimation software suite PEST. The software is used with MODFLOW or SUTRA models to run PEST-based parameter estimation and display the updated model inputs after parameter estimation. The PEST input files can also be used with the PEST++ version 5 software suite. Parameter estimation typically requires defining the parameters being adjusted during calibration and observations for assessing calibration quality. After a parameter is defined in ModelMuse, it can be applied to all or part of a model dataset. Pilot points—a parameterization device that facilitates higher levels of parameterization—can be used to assign spatially variable distributions of model inputs. Parameters can be applied to temporally varying features, such as boundary conditions, by either applying them to all the values in a series in one step or by applying separate parameters to individual members of a series. ModelMuse allows the definition of many observation types from various model output files. For MODFLOW 6 and SUTRA models, new options were added to ModelMuse to allow it to display the changed input after parameter estimation is complete. For MODFLOW–2005 and MODFLOW–NWT models, ModelMuse can import an entire model for visualization. An example illustrates the use of PEST with a MODFLOW 6 model in ModelMuse.

Techniques and Methods