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ABSTRACT Dinitrogen (N₂) fixation provides bioavailable nitrogen to the biosphere. However, in some habitats (e.g., sediments), the metabolic pathways of organisms carrying out N₂fixation are unclear. We present metabolic models representing various chemotrophic N₂fixers, which simulate potential pathways of electron transport and energy flow, resulting in predictions of whole-cell stoichiometries. By balancing mass, electrons, and energy for metabolic half-reactions, we quantify the electron usage for nine N₂fixers. Our results demonstrate that all modeled organisms fix sufficient N₂for growth. Aerobic organisms allocate more electrons to N₂fixation and growth, yielding more biomass and fixing more N₂, while methanogens using acetate and organisms using sulfate allocate fewer electrons. This work can be applied to investigate the depth distribution of N₂fixers based on nutrient availability, complementing field measurements of biogeochemical processes and microbial communities.IMPORTANCEN₂fixation is an important process in the global N cycle. Researchers have developed models for heterotrophic and photoautotrophic N₂fixers, but there is a lack of modeling studies on chemoautotrophic N₂fixers. Here, we built nine biochemical models for different chemoautotrophic N₂fixers by combining different types of half-chemical reactions. We include three sulfide oxidizers using different electron acceptors (O₂, NO₃⁻, and Fe³⁺), contributing to the sulfur, nitrogen, and iron cycles in the sediment. We have two methanogens using different substrates (H₂and acetate) and four methanotrophs using different electron acceptors (O₂, NO₃⁻, Fe³⁺, and SO₄²⁻). By modeling these methane producers and users in the sediment and their N₂-fixing metabolic pathways, our work can provide insight for future carbon cycle studies. This study outlines various metabolic pathways that can facilitate N₂fixation, with implications for where in the environment they might occur. 

ABSTRACT Microbial nitrogen fixation (diazotrophy) is a critical ecological process. We curated DiazoTIME (Diazotroph Taxonomic Identity and MEtabolism), a comprehensive database of diazotroph genomes including taxonomic annotation and metabolic prediction. DiazoTIME is unique among databases for classifying diazotrophs because it resolves both taxonomy and metabolic functionality. 

Biological nitrogen fixation is a key driver of global primary production and climate. Decades of effort have repeatedly updated nitrogen fixation estimates for terrestrial and open ocean systems, yet other aquatic systems in between have largely been ignored. Here we present an evaluation of nitrogen fixation for inland and coastal waters. We demonstrate that water column and sediment nitrogen fixation is ubiquitous across these diverse aquatic habitats, with rates ranging six orders of magnitude. We conservatively estimate that, despite accounting for less than 10% of the global surface area, inland and coastal aquatic systems fix 40 (30 to 54) teragrams of nitrogen per year, equivalent to 15% of the nitrogen fixed on land and in the open ocean. Inland systems contribute more than half of this biological nitrogen fixation. 

Biological nitrogen fixation is the conversion of dinitrogen (N2) gas into bioavailable nitrogen by microorganisms with consequences for primary production, ecosystem function, and global climate. Here we present a compiled dataset of 4793 nitrogen fixation (N2-fixation) rates measured in the water column and benthos of inland and coastal systems via the acetylene reduction assay, 15N2 labeling, or N2/Ar technique. While the data are distributed across seven continents, most observations (88%) are from the northern hemisphere. 15N2 labeling accounted for 67% of water column measurements, while the acetylene reduction assay accounted for 81% of benthic N2-fixation observations. Dataset median area-, volume-, and mass-normalized N2-fixation rates are 7.1 μmol N2-N m−2 h−1, 2.3 × 10−4 μmol N2-N L−1 h−1, and 4.8 × 10−4 μmol N2-N g−1 h−1, respectively. This dataset will facilitate future efforts to study and scale N2-fixation contributions across inland and coastal aquatic environments. 

Abstract Predicting dissolved oxygen (DO) in lakes is important for assessing environmental conditions as well as reducing water treatment costs. High levels of DO often precede toxic algal blooms, and low DO causes carcinogenic metals to precipitate during water treatment. Typically, DO is predicted from limited data sets using hydrodynamic modeling or data‐driven approaches like neural networks. However, functional data analysis (FDA) is also an appropriate modeling paradigm for measurements of DO taken vertically through the water column. In this analysis, we build FDA models for a set of profiles measured every 2 hours and forecast the entire DO percent saturation profile from 2 to 24 hours ahead. Functional smoothing and functional principal component analysis are applied first, followed by a vector autoregressive model to forecast the empirical functional principal component (FPC) scores. Rolling training windows adapt to seasonality, and multiple combinations of window sizes, model variables, and parameter specifications are compared using both functional and direct root mean squared error metrics. The FPC method outperforms a suite of comparison models, and including functional pH, temperature, and conductivity variables improves the longer forecasts. Finally, the FDA approach is useful for identifying unusual observations. 

Biological nitrogen fixation converts inert di-nitrogen gas into bioavailable nitrogen and can be an important source of bioavailable nitrogen to organisms. This dataset synthesizes the aquatic nitrogen fixation rate measurements across inland and coastal waters. Data were derived from papers and datasets published by April 2022 and include rates measured using the acetylene reduction assay (ARA), 15N2 labeling, or the N2/Ar technique. The dataset is comprised of 4793 nitrogen fixation rates measurements from 267 studies, and is structured into four tables: 1) a reference table with sources from which data were extracted, 2) a rates table with nitrogen fixation rates that includes habitat, substrate, geographic coordinates, and method of measuring N2 fixation rates, 3) a table with supporting environmental and chemical data for a subset of the rate measurements when data were available, and 4) a data dictionary with definitions for each variable in each data table. This dataset was compiled and curated by the NSF-funded Aquatic Nitrogen Fixation Research Coordination Network (award number 2015825).