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At least 55 records · Page 3

Organic matter transformations are disconnected between surface water and the hyporheic zone

Abstract. Biochemical transformations of organic matter (OM) are a primary driver of river corridor biogeochemistry, thereby modulating ecosystem processes at local to global scales. OM transformations are driven by diverse biotic and abiotic processes, but we lack knowledge of how the diversity of those processes varies across river corridors and across surface and subsurface components of river corridors. To fill this gap we quantified the number of putative biotic and abiotic transformations of organic molecules across diverse river corridors using ultra-high-resolution mass spectrometry. The number of unique transformations is used here as a proxy for the diversity of biochemical processes underlying observed profiles of organic molecules. For this, we use public data spanning the contiguous United States (ConUS) from the Worldwide Hydrobiogeochemical Observation Network for Dynamic River Systems (WHONDRS) consortium. Our results show that surface water OM had more biotic and abiotic transformations than OM from shallow hyporheic zone sediments (1–3 cm depth). We observed substantially more biotic than abiotic transformations, and the numbers of biotic and abiotic transformations were highly correlated with each other. We found no relationship between the number of transformations in surface water and sediments and no meaningful relationships with latitude, longitude, or climate. We also found that the composition of transformations in sediments was not linked with transformation composition in adjacent surface waters. We infer that OM transformations represented in surface water are an integrated signal of diverse processes occurring throughout the upstream catchment. In contrast, OM transformations in sediments likely reflect a narrower range of processes within the sampled volume. This indicates decoupling between the processes influencing surface water and sediment OM, despite the potential for hydrologic exchange to homogenize OM. We infer that the processes influencing OM transformations and the scales at which they operate diverge between surface water and sediments.

58 GEOSCIENCES↗

Ecological and genomic responses of soil microbiomes to high-severity wildfire: linking community assembly to functional potential

Increasing wildfire severity, which is common throughout the western United States, can have deleterious effects on plant regeneration and large impacts on carbon (C) and nitrogen (N) cycling rates. Soil microbes are pivotal in facilitating these elemental cycles, so understanding the impact of increasing fire severity on soil microbial communities is critical. Here, we assess the long-term impact of high-severity fires on the soil microbiome. We find that high-severity wildfires result in a multi-decadal (>25 y) recovery of the soil microbiome mediated by concomitant differences in aboveground vegetation, soil chemistry, and microbial assembly processes. Our results depict a distinct taxonomic and functional successional pattern of increasing selection in post-fire soil microbial communities. Changes in microbiome composition corresponded with changes in microbial functional potential, specifically altered C metabolism and enhanced N cycling potential, which related to rates of potential decomposition and inorganic N availability, respectively. Based on metagenome-assembled genomes, we show that bacterial genomes enriched in our earliest site (4 y since fire) harbor distinct traits such as a robust stress response and a high potential to degrade pyrogenic, polyaromatic C that allow them to thrive in post-fire environments. Taken together, these results provide a biological basis for previously reported process rate measurements and explain the temporal dynamics of post-fire biogeochemistry, which ultimately constrains ecosystem recovery.

59 BASIC BIOLOGICAL SCIENCES↗

High resolution characterization of soil dissolved organic matter with FTICR-MS (Fourier-transform ion cyclotron resonance mass spectrometry) from soil samples in control and warming plots in Blodgett Forest, CA (2014 and 2018)

The pathways of carbon transport and loss through and from soils—soil organic matter (SOM) depolymerization to dissolved organic carbon and mineralization to carbon dioxide (CO2)—are fundamentally driven by microbial activity, which is strongly regulated by environmental conditions. As part of Lawrence Berkeley National Laboratory (LBNL) Terrestrial Ecosystem Science (TES) Belowground Biogeochemistry Science Focus Area (SFA), we have established a novel whole-soil long-term warming experiment at the University of California (UC) Blodgett Forest Research Station (Sierra Nevada) in 2014, where we study the role of biogeochemical, microbial and geochemical process interactions in SOM decomposition and stabilization.This package contains Fourier transform ion cyclotron resonance mass spectrometry (21 Tesla FTICR-MS) data measured in negative and positive ionization mode from water and methanol soil extracts. Soil samples were collected in 2014/06/03 and 2018/06/04 from 3 replicated paired plots that had been subjected to experimental warming since June 2014 to simulate a predicted climate change scenario for northern California. The following files are included: (1) fticr_neg_h2oMeoh_data_raw.csv: raw data from combined water (H2O) and methanol (MeOH) extracts in negative ion mode, (2) fticr_neg_h2oMeoh_data_processed.csv: processed data from combined water (H2O) and methanol (MeOH) extracts in negative ion mode, (3) fticr_neg_metadata.csv: metadata for samples/measurements in negative ion mode, (4) fticr_pos_h2oMeoh_data_raw.csv: raw data from combined water (H2O) and methanol (MeOH) extracts in positive ion mode, (5) fticr_pos_h2oMeoh_data_processed.csv: processed data from combined water (H2O) and methanol (MeOH) extracts in positive ion mode, (6) fticr_pos_metadata.csv: metadata for samples/measurements in positive ion mode.

54 ENVIRONMENTAL SCIENCES↗

Untargeted, tandem mass spectrometry (LC/MS-MS) metaproteomes from soil samples in control and warming plots in Blodgett Forest, CA (2014-2021)

The pathways of carbon transport and loss through and from soils—soil organic matter (SOM) depolymerization to dissolved organic carbon and mineralization to carbon dioxide (CO2)—are fundamentally driven by microbial activity, which is strongly regulated by environmental conditions. As part of Lawrence Berkeley National Laboratory (LBNL) Terrestrial Ecosystem Science (TES) Belowground Biogeochemistry Science Focus Area (SFA), we have established a novel whole-soil long-term warming experiment at the University of California (UC) Blodgett Forest Research Station (Sierra Nevada) in 2014, where we study the role of biogeochemical, microbial and geochemical process interactions in SOM decomposition and stabilization. This package contains soil metaproteomics data in the context of site specific metagenomes from soil depth profiles in three paired control and warming plots from a temperate mixed forest in Northern California. Each paired plot had been subjected to experimental warming since June 2014 to simulate a predicted climate change scenario for northern California. These metaproteomes were collected in 2018 after 4.5 years of warming from five depth intervals (0-10 cm, 10-30 cm, 30-45 cm, 45-60 cm, 60-80 cm). For protein identification, the collected spectra were searched following a target-decoy search strategy against a database of metagenome predicted proteins (covering 96 samples from 2014 to 2021) representing the complete sequence diversity at the site. Data was searched with mass spectrometry database search tool (MS-GF+) using Pacific Northwest National Laboratory (PNNL)'s Data Management System (DMS) Processing pipeline. The metagenomes are published as part of another data package. Raw metaproteomic data and the data products from MS-GF+ are deposited in the Mass Spectrometry Interactive Virtual Environment (MassIVE) database under accession no. MSV000097826. Here we present a dataset that includes spectral counts for the detected proteins across samples (EMSL50964_BrodieAllMAGs_Globals_SC.txt), the sequences of the detected proteins, and sample metadata file that contains site information for the soil metaproteome samples.

Belowground Biogeochemistry Science Focus Area↗

Improving tide-estuary representation in MPAS-Ocean (Final Report)

The overarching goal of this research is to produce a skill-assessed tide-estuary representation, including BGC (biogeochemistry) components of the ecosystem, into the MPAS-O global climate modeling system. Specifically, in the original proposal we proposed one-way nesting, into global MPAS-O, of a high-resolution model for TES (tidal and estuary systems) including the coupling of the BGC components. We have completed the proposed tasks during the past 4 years. Specifically, after extensive consultation with the MPAS-O group during the first year, we have decided to go beyond the original proposal and to two-way nest SCHISM into MPAS-O. As a result, SCHISM-CoSiNE (with CoSiNE being the BGC model) is now fully integrated into MPAS-O as a subroutine (more precisely, an analysis member) and can be invoked as MPAS-O is running with two-way exchange of information between the TES and global models (with proper spatial interpolation done on the fly). As originally proposed, we have also developed the new finite-volume (FV) model MPAS-OI (aka ELCIRC-sub) for TES. We have conducted several tests using the coupled MPAS-SCHISM- CoSiNE model and also MPAS-OI for Columbia River, San Francisco Bay and Chesapeake Bay. Four journal publications have been produced so far as the result of the project and 1 is under review (cf. Publication section). With these achievements, we will be ready to conduct fully coupled simulations of TES and global ocean anywhere, as soon as some missing capabilities in MPAS-O (e.g. tides, improved ability to handle the boundary conditions, and streamlining of the global BGC model) are worked out. The significance of the outcome of this project cannot be overstated. It marks the first time, as far as we know, that a global climate model is tightly coupled to a bona fide nearshore and terrestrial model (SCHISM system); in fact SCHISM is the first bona fide compound flooding model that seamlessly covers the coastal ocean, estuaries, rivers and watersheds (Ye et al. 2020; Zhang et al. 2020). The coupled model will reduce the errors and uncertainties of the MPAS-O global climate model system. It also complements and extends on-going E3SM project, as the latter seeks in the long-term to include components required to simulate impacts of sea-level change and storm surge on coastal regions, including wave models and focusing resolution in coastal and storm-track regions, as an important component of the Cryosphere-ocean system. Note that a spectral wave model (the unstructured-grid version of Wave Watch III, aka Wind Wave Model) is already incorporated inside the SCHISM system and is therefore directly accessible in the coupled system.

58 GEOSCIENCES↗

Shading contributes to Sphagnum decline in response to warming

Experimental warming of an ombrotrophic bog in northern Minnesota has caused a rapid decline in the productivity and areal cover of Sphagnum mosses, affecting whole-ecosystem carbon balance and biogeochemistry. Direct effects of elevated temperature and the attendant drying are most likely the primary cause of the effects on Sphagnum, but there may also be responses to the increased shading from shrubs, which increased with increasing temperature. To evaluate the independent effects of reduction in light availability and deposition of shrub litter on Sphagnum productivity, small plots with shrubs removed were laid out adjacent to the warming experiment on hummocks and hollows in three blocks and with five levels of shading. Four plots were covered with neutral density shade cloth to simulate shading from shrubs of 30%–90% reduction in light; one plot was left open. Growth of Sphagnum angustifolium/fallax and S. divinum declined linearly with increasing shade in hollows, but there was no response to shade on hummocks, where higher irradiance in the open plots may have been inhibitory. Shading caused etiolation of Sphagnum—they were thin and spindly under the deepest shade. A dense mat of shrub litter, corresponding to the amount of shrub litter produced in response to warming, did not inhibit Sphagnum growth or cause increases in potentially toxic base cations. CO 2 exchange and chlorophyll-a fluorescence of S. angustifolium/fallax from the 30% and 90% shade cloth plots were measured in the laboratory. Light response curves indicate that maximal light saturated photosynthesis was 42% greater for S. angustifolium/fallax grown under 30% shade cloth relative to plants grown under 90% shade cloth. The response of Sphagnum growth in response to increasing shade is consistent with the hypothesis that increased shade resulting from shrub expansion in response to experimental warming contributed to reduced Sphagnum growth.

59 BASIC BIOLOGICAL SCIENCES↗

At the interfaces of the hydrologic sciences: Connecting water, elements, ecosystems, and people through the major contributions of Dr. Emily Bernhardt

Here, in this paper, we describe the major contributions of Professor Emily Bernhardt to the hydrologic sciences. Dr. Bernhardt’s work addresses how carbon, nutrient, and contaminant dynamics respond to a wide range of environmental perturbations that alter hydrologic dynamics within and connectivity among ecosystems. Her research leverages intensive and extensive field sampling, experimental manipulations, macroscale data harmonization and exploration, and continental to global-scale synthesis activities to uncover key drivers and patterns of the impacts human perturbations have on water and elemental cycles. Dr. Bernhardt’s research program is defined by her ability to ask questions and use approaches that explicitly consider connectivity and interfaces in a variety of ways. Here, we highlight significant contributions from Dr. Bernhardt’s work, organized by connectivity, interfaces, and interactions among and across (1) elemental cycles, (2) ecosystems, (3) watersheds, (4) scales, and (5) disciplines. We conclude with a section on Dr. Bernhardt’s impact on the hydrologic sciences and beyond through her exceptional dedication to mentorship, engagement, and service.

58 GEOSCIENCES↗

Improving Marine Biogeochemistry-Climate Feedbacks in ACME (Final Report)

Improve representation of marine biogeochemistry within E3SM to better capture climate-biogeochemistry feedbacks. This overall goal includes a number of components listed below. A key goal of this project is to better simulate the biological carbon pump, the transfer of carbon from surface waters to the ocean interior by sinking particulate organic matter (POM) and transport of dissolved organic matter (DOM). This is a primary feedback to climate as it directly modifies the air-sea CO 2 flux.

54 ENVIRONMENTAL SCIENCES↗

Accelerated Snowmelt Protocol to Simulate Climate Change Induced Impacts on Snowpack Dependent Ecosystems

Field studies that simulate the effects of climate change are important for a predictive understanding of ecosystem responses to a changing environment. Among many concerns, regional warming can result in advanced timing of spring snowmelt in snowpack dependent ecosystems, which could lead to longer snow-free periods and drier summer soils. Past studies investigating these impacts of climate change have manipulated snowmelt with a variety of techniques that include manual snowpack alteration with a shovel, infrared radiation, black sand and fabric covers. Within these studies however, sufficient documentation of methods is limited, which can make experimental reproduction difficult. Here, we outline a detailed plot-scale protocol that utilizes a permeable black geotextile fabric deployed on top of an isothermal spring snowpack to induce advanced snowmelt. The method offers a reliable and cost-effective approach to induce snowmelt by passively increasing solar radiation absorption at the snow surface. In addition, control configurations with no snowpack manipulation are paired adjacent to the induced snowmelt plot for experimental comparison. Past and ongoing deployments in Colorado subalpine ecosystems indicate that this approach can accelerate snowmelt by 14-23 days, effectively mimicking snowmelt timing at lower elevations. This protocol can be applied to a variety of studies to understand the hydrological, ecological, and geochemical impacts of regional warming in snowpack dependent ecosystems.

54 ENVIRONMENTAL SCIENCES↗

Simulating physical and biogeochemical dynamics of the Arctic Ocean [Slides]

Ocean physics (currents, mixing, air-sea transfer of heat and gases) and biogeochemistry (carbon and oxygen cycles, ecosystem dynamics, nutrient distributions) are tightly coupled. We used the DOE-developed Energy Exascale Earth System Model (E3SM) to simulate physical and biogeochemical dynamics of the global ocean, with an emphasis on the western North Pacific. In particular, we used the grid refinement capability of E3SM’s ocean component (LANL-developed MPASOcean) to quantify the effect of model resolution on the carbon and oxygen cycles using a pair of century-long simulations that differ only in the western North Pacific grid. Regional grid refinement has a noticeable impact on biogeochemistry. Distribution of important nutrients (such as nitrate) changes the amount of photosynthesis by phytoplankton, which in turn affects air-sea transfer of CO2 and the local carbon cycle.

58 GEOSCIENCES↗

A framework for soil microbial ecology in urban ecosystems

Nearly all ecosystems host diverse microbiomes that support vital ecosystem processes. At the same time, these ecosystems and their microbiomes are increasingly altered by human activities, particularly in highly managed urban environments. While microbial ecologists are beginning to understand the drivers of microbial assembly and the link between community structure and function in many ecosystems, few of these advances have been applied to urban ecosystems. In this synthesis, we review research on the urban soil microbiome and develop a framework to integrate soil microbial communities with urban ecosystem function. We identify disturbance, altered resources, and heterogeneity as key drivers through which human activities including urban development affect soils and their resident microorganisms. Steep environmental gradients in many urban systems present a unique opportunity to address fundamental questions in microbial ecology, such as how microbes respond to stress and how biogeochemical rates relate to microbial diversity and composition. Soil microbiomes in cities also provide ecosystem services and harms, making it crucial to understand how human activity drives those functions and the consequences for environmental and human health. We argue that much-needed integration across disturbance ecology, urban ecology, and microbial ecology will help generate practical and equitable strategies for managing ecosystem benefits in cities where most humans now live.

54 ENVIRONMENTAL SCIENCES↗

Simulations With the Marine Biogeochemistry Library (MARBL)

Abstract The Marine Biogeochemistry Library (MARBL) is a prognostic ocean biogeochemistry model that simulates marine ecosystem dynamics and the coupled cycles of carbon, nitrogen, phosphorus, iron, silicon, and oxygen. MARBL is a component of the Community Earth System Model (CESM); it supports flexible ecosystem configuration of multiple phytoplankton and zooplankton functional types; it is also portable, designed to interface with multiple ocean circulation models. Here, we present scientific documentation of MARBL, describe its configuration in CESM2 experiments included in the Coupled Model Intercomparison Project version 6 (CMIP6), and evaluate its performance against a number of observational data sets. The model simulates present‐day air‐sea CO 2 flux and many aspects of the carbon cycle in good agreement with observations. However, the simulated integrated uptake of anthropogenic CO 2 is weak, which we link to poor thermocline ventilation, a feature evident in simulated chlorofluorocarbon distributions. This also contributes to larger‐than‐observed oxygen minimum zones. Moreover, radiocarbon distributions show that the simulated circulation in the deep North Pacific is extremely sluggish, yielding extensive oxygen depletion and nutrient trapping at depth. Surface macronutrient biases are generally positive at low latitudes and negative at high latitudes. CESM2 simulates globally integrated net primary production (NPP) of 48 Pg C yr −1 and particulate export flux at 100 m of 7.1 Pg C yr −1 . The impacts of climate change include an increase in globally integrated NPP, but substantial declines in the North Atlantic. Particulate export is projected to decline globally, attributable to decreasing export efficiency associated with changes in phytoplankton community composition.

Meteorology & Atmospheric Sciences↗

Groundwater Depth Overrides Tree-Species Effects on the Structure of Soil Microbial Communities Involved in Nitrogen Cycling in Plantation Forests

Microbial communities found in soil ecosystems play important roles in decomposing organic materials and recycling nutrients. A clear understanding on how biotic and abiotic factors influence the microbial community and its functional role in ecosystems is fundamental to terrestrial biogeochemistry and plant production. The purpose of this study was to investigate microbial communities and functional genes involved in nitrogen cycling as a function of groundwater depth (deep and shallow), tree species (pine and eucalypt), and season (spring and fall). Soil fungal, bacterial, and archaeal communities were determined by length heterogeneity polymerase chain reaction (LH-PCR). Soil ammonia oxidation archaeal (AOA) amoA gene, ammonia oxidation bacterial (AOB) amoA gene, nitrite oxidoreductase nrxA gene, and denitrifying bacterial narG, nirK, nirS, and nosZ genes were further studied using PCR and denaturing gradient gel electrophoresis (DGGE). Soil fungal and bacterial communities remained similar between tree species and groundwater depths, respectively, regardless of season. Soil archaeal communities remained similar between tree species but differed between groundwater depths in the spring only. Archaeal amoA for nitrification and bacterial nirK and nosZ genes for denitrification were detected in DGGE, whereas bacterial amoA and nrxA for nitrification and bacterial narG and nirS genes for denitrification were undetectable. The detected nitrification and denitrification communities varied significantly with groundwater depth. There was no significant difference of nitrifying archaeal amoA or denitrifying nirK communities between different tree species regardless of season. The seasonal difference in microbial communities and functional genes involved in nitrogen cycling suggests microorganisms exhibit seasonal dynamics that likely impact relative rates of nitrification and denitrification.

54 ENVIRONMENTAL SCIENCES↗

Simulating Marine Ecosystem Dynamics and Biogeochemical Cycling With Multiple Plankton Functional Types

Current representations of marine ecosystems in Earth System Models are greatly simplified, neglecting key interactions between dynamic food webs, biogeochemistry, and climate change. We use the Marine Biogeochemistry Library code base within the Community Earth System Model 2.2.2 to create an expanded ecosystem model with eight phytoplankton groups and four zooplankton size classes (MARBL-8P4Z). Incorporating more specific plankton types and size classes has the potential to capture a wider range of possible behaviors of the ecosystem, its complex interactions with biogeochemistry, and its feedback to climate change. It also permits stronger observational constraints, including in situ group-specific biomass and various observational estimates of plankton community composition. MARBL-8P4Z broadly captures observed global-scale patterns in biomass and community composition for both phytoplankton and zooplankton, with a good performance in simulating broad biogeochemistry fields. The model shows comparable spatial patterns and magnitudes to the observed picophytoplankton biomass (Prochlorococcus, Synechococcus, picoeukaryotes), and captures the seasonal cycle of mesozooplankton biomass. Picophytoplankton groups and microzooplankton dominate biomass and production in oligotrophic, subtropical regions, while nano-phytoplankton, diatoms and the larger zooplankton groups prevail at higher latitudes and within upwelling zones. The model simulates reasonable energy transfer efficiency through the food web, with tight linkages between the phytoplankton community composition, zooplankton grazing, and carbon export, with the potential to link to fisheries models. Thus, MARBL-8P4Z has the potential to account for key climate-driven ecological shifts in the plankton that will modify ocean biogeochemistry in the future.

54 ENVIRONMENTAL SCIENCES↗

Oxygen priming induced by elevated CO 2 reduces carbon accumulation and methane emissions in coastal wetlands

Warming temperatures and elevated carbon dioxide (CO 2 ) are inextricably linked global change phenomena, but are rarely manipulated together in field experiments. As a result, ecosystem-level responses to these interacting facets of global change remain poorly understood. In 2017, we started an experiment in a coastal wetland that crosses warming and elevated CO 2 , to better understand how the interactions of these factors affect the plants, biogeochemistry, and overall survival of these ecosystems. However, contrary to our expectations, when elevated CO 2 is combined with warming, the wetland accumulated less carbon, making it more vulnerable to sea-level rise. This was due to the plants transporting more oxygen into the soil, which stimulated aerobic decomposition. At the same time, the increased supply of oxygen reduced net methane (CH 4 ) emissions from the system, even though warming alone substantially increased CH 4 emission. Together, these results demonstrate that ecosystem responses to interacting facets of global change may be mediated by plant traits that regulate the soil environment. Thus, plant responses are critical for predicting future ecosystem survival and climate feedbacks.

54 ENVIRONMENTAL SCIENCES↗

Characterizing the Atmospheric Mn Cycle and Its Impact on Terrestrial Biogeochemistry

Abstract The role of manganese (Mn) in ecosystem carbon (C) biogeochemical cycling is gaining increasing attention. While soil Mn is mainly derived from bedrock, atmospheric deposition could be a major source of Mn to surface soils, with implications for soil C cycling. However, quantification of the atmospheric Mn cycle, which comprises emissions from natural (desert dust, sea salts, volcanoes, primary biogenic particles, and wildfires) and anthropogenic sources (e.g., industrialization and land‐use change due to agriculture), transport, and deposition, remains uncertain. Here, we use compiled emission data sets for each identified source to model and quantify the atmospheric Mn cycle by combining an atmospheric model and in situ atmospheric concentration measurements. We estimated global emissions of atmospheric Mn in aerosols (<10 μm in aerodynamic diameter) to be 1,400 Gg Mn year −1 . Approximately 31% of the emissions come from anthropogenic sources. Deposition of the anthropogenic Mn shortened Mn “pseudo” turnover times in 1‐m‐thick surface soils (ranging from 1,000 to over 10,000,000 years) by 1–2 orders of magnitude in industrialized regions. Such anthropogenic Mn inputs boosted the Mn‐to‐N ratio of the atmospheric deposition in non‐desert dominated regions (between 5 × 10 −5 and 0.02) across industrialized areas, but that was still lower than soil Mn‐to‐N ratio by 1–3 orders of magnitude. Correlation analysis revealed a negative relationship between Mn deposition and topsoil C density across temperate and (sub)tropical forests, consisting with atmospheric Mn deposition enhancing carbon respiration as seen in in situ biogeochemical studies.

Environmental Sciences & Ecology↗

Next-Generation Ecosystem Experiments–Arctic Flyer

An important challenge for Earth system models (ESMs) is to accurately represent land surface and subsurface processes and their complex interactions. This is true for all regions of the world, but is especially important for high-latitude Arctic ecosystems that are characterized by ice-rich landscapes where topography, hydrology, vegetation, and biogeochemistry are inexplicitly linked. To address this challenge, the Terrestrial Ecosystem Science (TES) program within the Department of Energy’s (DOE) Office of Biological and Environmental Research (BER) is supporting a next-generation ecosystem experiments project in the Arctic (NGEE–Arctic).

54 ENVIRONMENTAL SCIENCES↗

Using metacommunity ecology to understand environmental metabolomes

Abstract Environmental metabolomes are fundamentally coupled to microbially-linked biogeochemical processes within ecosystems. However, significant gaps exist in our understanding of their spatiotemporal organization, limiting our ability to uncover transferrable principles and predict ecosystem function. We propose that a theoretical paradigm, which integrates concepts from metacommunity ecology, is necessary to reveal underlying mechanisms governing metabolomes. We call this synthesis between ecology and metabolomics ‘meta-metabolome ecology’ and demonstrate its utility using a mass spectrometry dataset. We developed three relational metabolite dendrograms using molecular properties and putative biochemical transformations and performed ecological null modeling. Based upon null modeling results, we show that stochastic processes drove molecular properties while biochemical transformations were structured deterministically. We further suggest that potentially biochemically active metabolites were more deterministically assembled than less active metabolites. Understanding variation in the influences of stochasticity and determinism provides a way to focus attention on which meta-metabolomes and which parts of meta-metabolomes are most likely to be important to consider in mechanistic models. We propose that this paradigm will allow researchers to study the connections between ecological systems and their molecular processes in previously inaccessible detail.

54 ENVIRONMENTAL SCIENCES↗