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Orbitrap mass spectrometry in full scan mode enables the simultaneous detection of hundreds of metabolites and their isotope-labeled forms. Yet, sensitivity remains limiting for many metabolites, including low-concentration species, poor ionizers, and low-fractional-abundance isotope-labeled forms in isotope-tracing studies. Here, we explore selected ion monitoring (SIM) as a means of sensitivity enhancement. The analytes of interest are enriched in the orbitrap analyzer by using the quadrupole as a mass filter to select particular ions. In tissue extracts, SIM significantly enhances the detection of ions of low intensity, as indicated by improved signal-to-noise (S/N) ratios and measurement precision. In addition, SIM improves the accuracy of isotope-ratio measurements. SIM, however, must be deployed with care, as excessive accumulation in the orbitrap of similar m/z ions can lead, via space-charge effects, to decreased performance (signal loss, mass shift, and ion coalescence). Ion accumulation can be controlled by adjusting settings including injection time and target ion quantity. Overall, we suggest using a full scan to ensure broad metabolic coverage, in tandem with SIM, for the accurate quantitation of targeted low-intensity ions, and provide methods deploying this approach to enhance metabolome coverage.f

This dataset contains ecological and demographic data for William’s bright‑eyed frog (Boophis williamsi), a critically endangered amphibian restricted to the Ankaratra Massif in Madagascar’s central highlands. Field surveys were conducted between September 2018 – March 2019 and July 2021 across ten 100‑m stream transects to estimate abundance and identify habitat associations for both tadpoles and adult frogs. Data include repeated counts of individuals and associated habitat variables (e.g., canopy cover, substrate type, stream depth, discharge, and temperature). Abundance was estimated using N‑mixture models implemented in R (version 4.3.1) with the ubms package, with separate models for tadpoles and frogs to account for differences in detection probability. The dataset consists of multiple CSV files capturing microhabitat, environmental variables, and raw survey count data (y_frogs.csv and y_tadpoles.csv) and an R script (boophis_abundance.R) used for model fitting. The dataset was compiled for an article accepted in the Herpetological Journal by the British Herpetological Society and is intended to support long‑term monitoring and conservation planning for B. williamsi and other threatened amphibians in Madagascar available at https://doi.org/10.33256/36.2.8797

This dataset contains the values directly shown in the figures of the article "The impact of aerosol mixing state on immersion freezing: Insights from classical nucleation theory and particle-resolved simulations". This article is in preparation for submission to the journal Atmospheric Chemistry and Physics. The dataset consists of 12 NetCDF files processed from the raw output of the PartMC model. It does not include the theoretical values of frozen fraction, which can be computed using the equations provided in the paper. *New in V2: adding data for a newly included figure (INP_spectrum.nc), removing files that are no longer used in the revised manuscript figures (e.g., UNC_A_ratio=0.9_Dp=0.1.nc, UNC_A_ratio=0.9_Dp=10.0.nc, UNC_A_ratio=0.1_Dp=0.1.nc, and UNC_A_ratio=0.1_Dp=10.0.nc), and updating README.pdf accordingly.

The dataset includes data used for the MARC-to-BIBFRAME conversion, as well as code developed and used for reconciling BIBFRAME Work and Hub data with the Library of Congress BIBFRAME database. The dataset is organized into three ZIP files: MARC, BIBFRAME, and Work-Reconciliation. The MARC and BIBFRAME ZIP files each contain three sets of records: Concerto (86 records), Hamlet (8,678 records), and Local (237 records). The Work-Reconciliation ZIP file includes the following components: 1. reconcileWorks.py: a script that adds links to BIBFRAME records generated using the marc2bibframe2 tool 2. README.md: documentation describing how to run the script, required inputs, and the methodology for selecting links from Library of Congress search results 3. requirements.txt: a list of Python dependencies required to execute the script 4. notes.txt: supplementary notes on converting MARCXML to BIBFRAME using marc2bibframe2, including input requirements and setup considerations

Raw and Processed 4D-STEM datasets organized by particles appeared in each figure in the publication. 1. Figure 1. 2. Figure 2. 3. Figure 3. 4. Figure S7. 5. Readme.txt

Code and data to replicate analysis of northern copperhead movement and habitat selection in response to anthropogenic linear features in an urban nature park.

This dataset contains the values directly shown in the figures of the article "The impact of aerosol mixing state on immersion freezing: Insights from classical nucleation theory and particle-resolved simulations". This article is in preparation for submission to the journal Atmospheric Chemistry and Physics. The dataset consists of 15 NetCDF files processed from the raw output of the PartMC model. It does not include the theoretical values of frozen fraction, which can be computed using the equations provided in the paper.(These four files — UNC_A_ratio=0.1_Dp=0.1.nc, UNC_A_ratio=0.1_Dp=10.0.nc, UNC_A_ratio=0.9_Dp=0.1.nc, and UNC_A_ratio=0.9_Dp=10.0.nc — were not used in the manuscript. They have the same format and serve the same function as the other UNC_A_ratio=*_Dp=*.nc files, and contain the sensitivity maps for the corresponding combinations of A_ratio and Dp.)

This repository contains data and model weights associated with the publication "ESMDynamic: Fast and Accurate Prediction of Protein Dynamic Contact Maps from Single Sequences". It includes the datasets used for training and evaluating a dynamic contact prediction model, ESMDynamic, as well as a script for conversion and usage.

<b>**Data Description:** </b> This dataset provides country- and sector-level estimates of air-pollution–related health impacts, economic externalities, and associated spatial concentration patterns derived from multi-regional input–output (MRIO) modeling and atmospheric simulations (GTAP and EORA frameworks). Files include production- and consumption-based mortality matrices, gridded PM₂.₅ concentration maps, trade-linked net export metrics, externalities, uncertainty analyses, and cross-model correlation summaries used to generate the figures and tables in the manuscript. <b>**Citation Requirement:** </b> If you use this dataset in your research, presentations, or derivative works, please cite both the associated paper and the dataset: Wang, S., Thakrar, S., Johnson, J. et al. International trade and air-quality-related mortality. Nature Communications, 17, 3518 (2026). https://doi.org/10.1038/s41467-026-71408-w Wang, Shiyuan; Christopher, Tessum; Justin, Johnson; Sumil, Thakrar (2026): Data Accompanying "International Trade and Air-Quality-Related Mortality". University of Illinois Urbana-Champaign. https://doi.org/10.13012/B2IDB-0064792_V2

Proteins are the molecular machines of life with numerous applications in energy, health, and sustainability. However, engineering proteins with desired functions for practical applications remains slow, expensive, and specialist-dependent. Here we report a generally applicable platform for autonomous enzyme engineering that integrates machine learning and large language models with biofoundry automation to eliminate the need for human intervention, judgement, and domain expertise. Requiring only an input protein sequence and a quantifiable way to measure fitness, this automated platform can be applied to engineer a wide array of proteins. As a proof of concept, we engineer Arabidopsis thaliana halide methyltransferase (AtHMT) for a 90-foldimprovement in substrate preference and 16-fold improvement in ethyl-transferase activity, along with developing a Yersinia mollaretii phytase (YmPhytase) variant with 26-fold improvement in activity at neutral pH. This is accomplished in four rounds over 4 weeks, while requiring construction and characterization of fewer than 500 variants for each enzyme. This platform for autonomous experimentation paves the way for rapid advancements across diverse industries, from medicine and biotechnology to renewable energy and sustainable chemistry.

The clumping index (CI) quantifies the spatial distribution of foliage elements and is essential for accurately estimating the plant area index (PAI), canopy radiative transfer, and photosynthesis. Traditionally, the finite-length averaging method (LX), the gap size distribution method (CC), and a combined approach of CC and LX (CLX) have been applied to instruments like TRAC and digital hemispherical photography to estimate CI. However, a comprehensive evaluation of these methods in row crops remains limited, especially regarding the influence of segment size on CI. Meanwhile, digital cameras offer a cost-effective and user-friendly solution for canopy measurements in row crops, yet their application in this context remains underexplored. In this study, we employed a new approach using a 30°-tilted digital camera to estimate CI in corn and soybean fields, applying the LX, CC, and CLX methods. We systematically assessed the performance of these three methods by combining field measurements in real-world fields with simulations using the LESS 3D radiative transfer model. Our results showed that CLX applied to the whole image and 45° segment offered accurate estimation of CI (bias within ±0.1, RMSE < 0.2) and PAI (bias within ±0.4, RMSE < 1) in real-world fields and LESS simulations. The accuracy of the LX method was highly sensitive to segment size, with the best performance observed at the 15° segment (PAI bias within ±0.4). In contrast, the CC method remained stable across different segment sizes, and its performance was generally comparable to that of LX, except at the 15° segment. Across view zenith angles, CI derived from CC generally showed a continuous increase, while those from LX and CLX followed a rising trend at small zenith angles but began to decline at 68°, likely due to an increasing proportion of no-gap segments. Seasonally, LX tended to show decreasing CI during early growth stages but increased as the canopy matured, whereas CC and CLX showed gradually increasing CI before plateauing at peak PAI. The 30°-tilted camera effectively captured CI variations across different angles and growth stages, making it a practical and robust instrument for row crop canopy structure analysis. Applying these CI methods to digital cameras offers a low-cost and accessible CI estimation alternative, improving canopy structure monitoring accuracy in row crops.

The datasets are associated with a paper "The Windy City rookery: Movement and activity patterns of Black-crowned Night Herons (Nycticorax nycticorax) in a human-dominated landscape" that will soon be published in the journal "Ecology and Evolution". These are data associated with the movements, behaviors, and morphology of black-crowned night herons

Oil sorghum (OS) has been developed by engineering grain (TX430) and sweet (Ramada) genetic backgrounds to accumulate triacylglycerols (TAG) in vegetative tissues as an energy-dense feedstock for sustainable aviation fuel (SAF) and other biofuels. This study evaluated two TX430 OS lines (TxHO-2, TxHO-3) and two Ramada OS lines (RmHO-1, RmHO-2) alongside wild-type (WT) lines in NE and IL over 2 years (2023–2024) to quantify genotype × environment effects on agronomic performance and TAG accumulation. Across four environments, TX430 OS lines showed average TAG concentrations of 15.0 g kg−1 in leaves and 12.8 g kg−1 in stems, approximately 19-fold higher than WT. Ramada OS lines accumulated 26.1 g kg−1 in leaves and 12.3 g kg−1 in stems, approximately 25-fold and 13-fold increases over WT, respectively. OS lines in TX430 exhibited an 18% reduction in biomass (8.4 vs. 9.9 Mg ha−1 for WT), while Ramada OS lines had similar WT biomass (18.3 vs. 19.9 Mg ha−1 for WT). Among TX430 OS lines, TxHO-2 achieved the highest TAG yield (190 kg ha−1), while RmHO-1 led the Ramada lines (335 kg ha−1) due to higher biomass and similar TAG concentration. Enhanced TAG accumulation increased N, P, and K removal in TX430 lines but not in Ramada lines. Structural carbohydrate and ash concentration were unaffected. Overall, results confirm vegetative lipid accumulation as a viable strategy for high-biomass sorghum, supporting its potential as a dual-purpose feedstock for SAF. Future work should focus on minimizing biomass yield penalties and improving nutrient use efficiency in oil sorghum systems.

This dataset consists of raw ADC readings from a 3 transmitter 4 receiver 77GHz FMCW radar, together with synchronized RGB camera and depth (active stereo) measurements. The data is grouped into 4 distinct radar configurations: - "indoor" configuration with range <14m - "30m" with range <38m - "50m" with range <63m - "high_res" with doppler resolution of 0.043m/s # Related code https://github.com/moodoki/radical_sdk # Hardware Project Page https://publish.illinois.edu/radicaldata

This data comprises image files used in the analysis of Analysis of Nematode Ventral Nerve Cords Suggests Multiple Instances of Evolutionary Addition and Loss of Neurons by Han et al. (bioRxiv, 2025: doi: https://doi.org/10.1101/2025.03.20.644414). It is separated into two folders. The first comprise data using DAPI staining to quantify the number of VNC nuclei in diverse nematodes. The second includes dye-filling data of Mononchus aquaticus.

Biomanufacturing provides a more sustainable alternative to fossil-based chemical manufacturing. 3-Hydroxypropionic acid (3HP) is a top Department of Energy value-added chemical and precursor to bioplastics, yet cost-effective microbial production remains elusive. Here, we establish the acid-tolerant yeast Issatchenkia orientalis as a robust host for low-pH 3HP biosynthesis. Genome-scale modeling identifies the β-alanine pathway as optimal, offering the highest theoretical yield and lowest oxygen requirement. Thermodynamic analysis confirms its favorability under acidic conditions. Using sequence similarity network analysis, we discover highly active aspartate 1-decarboxylase (PAND), β-alanine-pyruvate aminotransferase (BAPAT), and 3HP dehydrogenase (YDFG), which significantly improve the pathway efficiency. Next, to further elevate the production, pathway optimization through multi-copy PAND integration, byproduct elimination (knockouts of pyruvate decarboxylase and glycerol-3-phosphate dehydrogenase), and reinforcement of aspartate flux by overexpression of pyruvate carboxylase and aspartate amino transferase improves the titer to 29 g/L in shake flasks. Fed-batch fermentation at pH 4 with low-cost corn steep liquor medium further increases the production to 92 g/L with 0.7 g/g yield and 0.55 g/L/h productivity. Techno-economic analysis indicates that such performance could potentially enable a financially viable process for sustainable acrylic acid production. This work establishes I. orientalis as a next-generation platform for cost-effective 3HP production and paves the way toward industrial commercialization.

Rhodotorula toruloides is a red oleaginous yeast with growing commercial interest because of its hardiness and exceptional lipid production capacity. Because it is a basidiomycete yeast with a complex life cycle, many of the classical breeding methods used with ascomycetes are unavailable for strain improvement. However, we have been able to construct polyploid yeast by fusing protoplasts of parents with the same mating type. Fusing of Y-6985 (A2) and Y-48190 (A2), which had been transformed with complementary antibiotic markers, led to the recovery of two diploids and one triploid. The stability of the fusion yeasts was tested by plating them on non-selective medium after several growth cycles under antibiotics and then testing five colonies per strain for nuclear DNA contents using flow cytometry and standard cell cycle analysis: the triploid and one diploid were stable. Fusants inherited their mitochondria from a single parent, which was demonstrated using restriction fragment length polymorphism (RFLP) of mitochondrial DNA. The phenotypic properties of the parents and fusants were compared in glucose fed-batch bioreactor studies and cellulosic sugar batch cultures. The final lipid titers for the fed-batch cultures were 24.9–39.7 g/L with Y-6985 and the diploid and triploid performing the best and worst, respectively. The fusants demonstrated intermediate hardiness for growth on hydrolysate prepared with dilute-acid pretreated switchgrass and were outperformed by Y-48190. Unlike one of the haploid parents, the fusants grew in 70% v/v concentrated hydrolysate. However, they did not grow as fast as the other haploid. In this study, a modernized protoplast fusion method is resurrected a useful tool for strain development in this yeast, which is complementary with other available methods.

Plant species and floral traits shape arthropod communities in restored prairies more than neonicotinoid contamination. Using a manipulated field experiment in an established prairie in Champaign Co., IL, we compared the importance of clothianidin contamination and floral traits on arthropod feeding guild abundances and community structure. These datasets contain observations of insects and plants collected during all sampling periods throughout the experiment (JT-HT_Insect_Sampling_2022.csv) and combined feeding guild abundances and floral variables by sample (JT-HT_SEM_Data.csv). The columns in the individual observation dataset include: sampling date, plot number, treatment (1 = CLO for Clothianidin; 0 = CONT for Control), flower abundance, order, superfamily, family, genus, species, and assigned feeding guild. There were inconsistencies in insect determinations and taxonomic resolution among the observations. Cells left empty due to undetermined taxonomic resolution are filled with a period. Additional supporting information—such as seed set, aboveground plant biomass, clothianidin tissue levels, sample design, and proposed structural models—can be found through the publisher. The columns for the combined variables by sample include: Plot #, Plant (USDA plant code), Treatment, Treat (binary variable of treatment required by the R package), Average Seed Set, Plant Dry Weight (in grams), Heads (number of individual flower units), Inflorescences (number of grouped flowering units), Herbivore, Ants, Omnivore, Pollinator, Predator, and Omni. R code for running analyses (SEMs, PERMANOVA) and plot visualization are also provided.

Upon treatment removal, spontaneous and random reactivation of latently infected T cells remains a major barrier toward curing HIV. Due to its stochastic nature, fluctuations in gene expression (or “noise”) can bias HIV reactivation from latency, and conventional drug screens for mean gene expression neglect compounds that modulate noise. Here we present a time-lapse fluorescence microscopy image set obtained from a Jurkat T-cell line, infected with a minimal HIV gene circuit, treated with 1,806 small molecule compounds, and imaged for 48 hours. In addition, the single-cell time-dependent reporter dynamics (single-cell gene expression intensity and noise trajectories) extracted from the image dataset are included. Based on this dataset, a total of 5 latency promoting agents of HIV was found through further experimentation in Lu et al., PNAS 2021 (doi: 10.1073/pnas.2012191118). For a detailed description of the dataset, please refer to the readme file.

Accurate modeling of photosynthesis is crucial for predicting crop productivity and quantifying the carbon cycle in agroecosystems. Leaf traits are essential inputs for modeling canopy photosynthesis. Yet, many existing models still use fixed plant functional type (PTF)-based values to parameterize leaf traits under a big-leaf or two-big-leaf assumption, neglecting their vertical profiles and seasonal changes. This simplification may introduce significant uncertainties in estimating gross primary productivity (GPP). In this study, we simulated soybean GPP and tested the effects of vertical and seasonal variation in three key leaf photosynthetic traits: the maximum carboxylation rate at 25 °C (Vcmax25), leaf chlorophyll content (LCC), and leaf mass per area (LMA) in the 1D-SCOPE and 3D-Helios models. Weekly field measurements were conducted during the growing season of 2024 to support the simulation. We designed ten leaf trait parameterization schemes by incorporating different combinations of vertical profiles and seasonal changes, while assuming homogeneous canopy architecture in both models. Our results revealed that Vcmax25 vertical and seasonal variation had the strongest influence on simulated GPP in both 1D and 3D models, while LCC and LMA effects were minimal. Particularly, the scheme with an empirically parameterized Vcmax25 profile achieved comparable performance to the scheme with the measured Vcmax25 profile. Both 1D-SCOPE and 3D-Helios accurately modeled GPP (SCOPE: R2 = 0.87, Bias = 0.55 µmol m⁻² s⁻¹; Helios: R2 = 0.9, Bias = 0.22 µmol m⁻² s⁻¹) under the most complex scheme, and their responses to vertical and seasonal variation in leaf traits were consistent, demonstrating the robustness of our findings. Based on our findings, we propose a scalable framework for parameterizing leaf traits to improve GPP simulations. This study contributes to improving the representation of leaf trait dynamics in canopy-level photosynthesis models, potentially enhancing our ability to predict crop productivity and understand agroecosystem carbon dynamics.

Biological processes involve complex hierarchies where composite traits result from multiple component traits. However, holistically understanding of how sets of component traits interact to underpin genotype-to-phenotype relationships is generally lacking. Stomatal density (SD) is a tractable model system for exploring how high-throughput phenotyping (HTP) data could be exploited by a new spatial analysis approach to better understand a developmentally and functionally important trait. SD is a composite trait, resulting from various components related to cell identity and size, which are themselves governed by a series of spatio-developmental processes. Data from 192 recombinant inbred lines of maize [Zea mays (L.)] were analyzed by a new stomatal patterning phenotype (SPP) to (1) describe the average spatial probability distribution of the nearest neighboring stomata; (2) derive a core set of component traits related to cell size, cell packing, and positional probabilities; (3) build a structural equation model of component traits underlying SD; and (4) identify stomatal patterning quantitative trait loci (QTL). The core set of SPP-derived traits explained 74% of the variation in SD. Analyzing SPP component traits allowed some loci previously identified as generic SD QTL to be recognized as specific to lateral versus longitudinal elements of stomatal patterning. Therefore, this study highlights how novel insights can be gained by decomposing a composite trait (e.g., SD) into a set of component traits that were present in HTP data but not previously exploited.

Improving nitrogen (N) efficiency is essential for sustainable high-biomass sorghum (Sorghum bicolor L. Moench) production. This study evaluated leaf and stem N dynamics, canopy N remobilization, and physiological nitrogen use efficiency (pNUE) in two photoperiod-sensitive sorghum hybrids under two N rates (0 and 168 kg-N ha−1) across multiple environments in Texas and Illinois. Leaf N concentrations increased with plant height in the canopy with steeper gradients under low-N conditions, indicating enhanced N remobilization when N is limited. Stem tissue showed less variation in N concentration across canopy nodal positions, with within-plant differences ranging from 1.2 to 7.6 g kg−1, compared to 3.1 to 16.3 g kg−1 in leaves. While pNUE was generally higher under unfertilized conditions, it varied largely by site; however, genotypic differences were minimal within the given year. These results highlight the importance of integrating environmental and management factors into breeding and fertilization strategies to enhance N efficiency in high-biomass sorghum.

This study develops and validates a simplified, fully solvent-free downstream processing (DSP) strategy for high-purity recovery of 3-hydroxypropionic acid (3-HP) from real fermentation broth containing 62.3 g/L of 3-HP. Optimized activated carbon treatment achieved 98% color removal, while Amberlite IRA-67 was operated at pH 4.5 and 30 °C to minimize product loss. This is the first integrated demonstration of a fully solvent-free DSP enabling recovery of bio-based 3-HP as both a solid sodium salt and a concentrated aqueous solution, supported by techno-economic analysis. At lab scale, the process achieved 77.3% recovery of sodium 3-HP with 83.2% (w/w) purity and produced a 30% (w/v) aqueous solution. Techno-economic analysis yielded minimum selling prices of $0.551/kg for the solution and $0.892/kg for the salt, both below target thresholds for cost-competitive bio-acrylic acid production. Overall, these results demonstrate an efficient, scalable, and economically viable industrial pathway for 3-HP recovery.

The price gap between the market and breakeven prices of cellulosic biomass for farmers represents a significant barrier to the development of a low-carbon cellulosic bioeconomy. Using a bottom-up, agent-based modeling tool that replicates the behaviors and interactions of key stakeholders, this study analyzes the emergence of a cellulosic bioeconomy at the local scale through a wedge approach that examines an integrated portfolio of multiple policy options, including subsidies for small-scale bioproducts and environmental credits. The role of collaboration among multiple stakeholders, such as biomass producers (farmers), bio-refinery industry, government, and society, is assessed for filling the price gap. Using the Sangamon River Basin as a case study site, we evaluate the effectiveness of the wedge approach by comparing simulation results from multiple scenarios, each incorporating different combinations of bioeconomy wedges, with and without stakeholder collaboration. Results underscore that active collaboration among stakeholders acts as a catalyst enlarging the effectiveness of bioeconomy wedges. Including the carbon credits and environmental value in the policy portfolio is found to bridge the price gap through collective contributions from diverse stakeholders, where the cellulosic biofuel and bioproduct industry plays a pivotal role. Although this study is conducted at the local watershed scale, the methodology and findings offer valuable insights for market development in other watersheds and the potential scaling of local markets to regional and national levels.