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At least 1,621 records · Page 90

Vertical Gradient of Size-Resolved Aerosol Compositions over the Arctic Reveals Cloud Processed Aerosol in-Cloud and above Cloud

Arctic aerosols play a significant role in the aerosol-radiation and aerosol-cloud interactions, but ground-based measurements are insufficient to explain the interaction of aerosols and clouds in a vertically stratified Arctic atmosphere. This study shows the vertical variability of aerosol particle composition via tethered balloon system at Oliktok Point, Alaska, in August 2019, at different cloud layers for two case studies (background aerosol condition and polluted condition). Multi-modal micro-spectroscopy analysis of samples during the background case reveals a broadening of chemically specific size distribution above cloud top with a high abundance of sulfate and core-shell morphology, suggesting possible cloud processing of aerosols. The pollution case also indicates a broadening of size distribution at the upper cloud layer with the dominance of carbonaceous aerosol, which suggests the potential of carbonaceous aerosols for Arctic cloud formation. Here this study provides insights into the vertical profile of Arctic aerosols on cloud formation.

54 ENVIRONMENTAL SCIENCES↗

Spatially resolved polarization swings in the supermassive binary black hole candidate OJ 287 with first Event Horizon Telescope observations

We present the first Event Horizon Telescope 1.3 mm observations of the supermassive binary black hole candidate OJ 287. The observations achieved an unprecedented angular resolution of 18 μas and reveal significant structural and polarization variability over just five days, marking the shortest timescale on which such changes have been directly imaged in this source. The inner jet exhibits a twisted ridgeline structure, with features displaying apparent superluminal motions up to about 22 c. The linear polarization maps reveal three main polarized features whose electric-vector position angles (EVPAs) change substantially over the time span of our observations, including a component with a radial polarization consistent with being produced by a recollimation shock. Most notably, we directly resolved two innermost jet components whose EVPAs rotate in opposite directions. The faster component, moving at 2.4 ± 0.9 μas/day (17.4 ± 6.5 c), exhibits counterclockwise EVPA swings of roughly 3.7° per day, while the slower component, with a proper motion of 1.4 ± 0.3 μas/day (10.2 ± 2.2 c), rotates clockwise at approximately 2.5° per day. Previous studies inferred helical magnetic fields in AGN jets from time-resolved or integrated polarization variability but lacked the angular resolution to directly image this effect. Our results provide spatially resolved evidence that a helical magnetic field threads the jet’s collimation and acceleration zone, ruling out models based on the superposition of unresolved components. Our analysis suggests that propagating shocks interact with a Kelvin–Helmholtz plasma instability, illuminating different phases of the helical magnetic field and producing the observed polarization spatial and temporal variability. Moreover, our model naturally accounts for the more rapid polarization rotation observed in the faster moving component. Our model predicts even more rapid swings in polarization, which could be tested with future observations featuring a more densely sampled time coverage.

OJ 287↗

Ferromagnetic and multiferroic interfaces in granular perovskite composite xLa{sub 0.5}Sr{sub 0.5}CoO{sub 3}-(1−x)BiFeO{sub 3}

Nanopowder of ferromagnetic La{sub 0.5}Sr{sub 0.5}CoO{sub 3} (LSCO) and multiferroic BiFeO{sub 3} (BFO) were synthesized by spray pyrolysis method. Different compositions of multiferroic xLSCO-(1−x)BFO composites were synthesized at 800 °C for 2 h. Scanning electron microscopy and energy dispersive spectroscopy elemental mapping were performed to study the morphology of composites. Ferri/ferromagnetic responses above T{sub C} (LSCO) are observed, which are associated with the interfaces LSCO/BFO. This interface presents a different behavior compared to the original perovskites, and the magnitude of the magnetization depends on x. Electrical DC conductivity as a function of temperature for LSCO nanopowder (x = 1) presents a different behavior than that reported in bulk material. For x = 1 and 0.9, the model by Glazman and Matveev [Zh. Eksp. Teor. Fiz. 94, 332 (1988)] is proposed to describe the electrical conductivity. On the other hand, x = 0, 0.1, and 0.5 present a variable range hopping behavior. Complex impedance spectroscopy as a function of frequency indicates a pure resistive behavior for x ≥ 0.5 compositions, while a complex resistive-capacitive behavior is observed for low x values (0, 0.1). In these samples, low values of magnetoelectric coupling were measured with an AC lock-in technique.

71 CLASSICAL AND QUANTUM MECHANICS, GENERAL PHYSIC↗

Beamline K11 DIAD: a new instrument for dual imaging and diffraction at Diamond Light Source

The Dual Imaging and Diffraction (DIAD) beamline at Diamond Light Source is a new dual-beam instrument for full-field imaging/tomography and powder diffraction. This instrument provides the user community with the capability to dynamically image 2D and 3D complex structures and perform phase identification and/or strain mapping using micro-diffraction. The aim is to enable in situ and in operando experiments that require spatially correlated results from both techniques, by providing measurements from the same specimen location quasi-simultaneously. Using an unusual optical layout, DIAD has two independent beams originating from one source that operate in the medium energy range (7–38 keV) and are combined at one sample position. Here, either radiography or tomography can be performed using monochromatic or pink beam, with a 1.4 mm × 1.2 mm field of view and a feature resolution of 1.2 µm. Micro-diffraction is possible with a variable beam size between 13 µm × 4 µm and 50 µm × 50 µm. One key functionality of the beamline is image-guided diffraction, a setup in which the micro-diffraction beam can be scanned over the complete area of the imaging field-of-view. This moving beam setup enables the collection of location-specific information about the phase composition and/or strains at any given position within the image/tomography field of view. The dual beam design allows fast switching between imaging and diffraction mode without the need of complicated and time-consuming mode switches. Real-time selection of areas of interest for diffraction measurements as well as the simultaneous collection of both imaging and diffraction data of (irreversible) in situ and in operando experiments are possible.

36 MATERIALS SCIENCE↗

Adaptive variation and plasticity in non‐structural carbohydrate storage in a temperate tree species

Abstract Trees' total amount of non‐structural carbohydrate (NSC) stores and the proportion of these stores residing as insoluble starch are vital traits for individuals living in variable environments. However, our understanding of how stores vary in response to environmental stress is poorly understood as the genetic component of storage is rarely accounted for in studies. Here, we quantified variation in NSC traits in branch samples taken from over 600 clonally transplanted black cottonwood ( Populus trichocarpa) trees grown in two common gardens. We found heritable variation in both total NSC stores and the proportion of stores in starch (H 2 TNC = 0.19, H 2 PropStarch = 0.31), indicating a substantial genetic component of variation. In addition, we found high amounts of plasticity in both traits in response to cold temperatures and significant genotype‐by‐environment (GxE) interactions in the total amount of NSC stored (54% of P is GxE). This finding of high GxE indicates extensive variation across trees in their response to environment, which may explain why previous studies of carbohydrate stores' responses to stress have failed to converge on a consistent pattern. Overall, we found high amounts of environmental and genetic variation in NSC storage concentrations, which may bolster species against future climate change.

Blumstein, Meghan↗

WHONDRS Surface Water and Sediment Geochemistry and Organic Matter Characterization Data from Streams across HJ Andrews Experimental Forest, Oregon (v2)

This dataset supports a broader study developing conceptual models for river corridor critical zone processes across spatial scales and was generated in collaboration with the HJ Andrews River Corridor Critical Zone Workshop in 2025. The dataset provides surface water geochemistry (dissolved organic carbon, total dissolved nitrogen) from 48 sites across the HJ Andrews Experimental Forest, Oregon (https://andrewsforest.oregonstate.edu). Some of the sites have been impacted by the Holiday Farm Fire and the Lookout Fire in 2020 and 2023, respectively. Related data were collected as part of the workshop and will be published separately in collaboration with other workshop attendees and available at http://www.hydroshare.org/resource/b274c4a234bf4b12b7cb8a54a696c629. Related genomic data can be found on the National Center for Biotechnology Information (NCBI) under BioProject PRJNA1503030 (see critical details section below for more information). Additional related data collected in 2016 from a similar effort can be found at https://data.ess-dive.lbl.gov/datasets/doi:10.15485/3377027 and http://www.hydroshare.org/resource/ea6c0832885a46c3939e7bb22e48e754 and are described within https://doi.org/10.5194/essd-11-1-2019 (Ward et al., 2019). This data package was originally published in March 2026. It was updated in August 2026 (v2; new and modified files). See the change history section in the readme for more details. For details on how to navigate data packages generated by this project, see https://data.ess-dive.lbl.gov/portals/PNNLRiverCorridorSFA/About. In addition to a readme, this data package also includes a file-level metadata (FLMD) file that describes each file and a data dictionary (DD) that describes all column/row headers and variable definitions. This dataset is comprised of (1) a folder of field photos, (2) a folder of raw Fourier transform ion cyclotron resonance mass spectrometry (FTICR-MS) data, (3) a data checks report, (4) a folder of sample data, (5) file-level metadata, (6) data dictionary, (7) field metadata, (8) readme, (9) international generic sample number (IGSN) mapping file; and (10) field protocol. The sample data subfolder contains surface water and sediment (1) dissolved organic carbon (DOC, measured as non-purgeable organic carbon, NPOC) data and averages, (2) total dissolved nitrogen data and averages, (3) methods codes, (4) FTICR-MS methods; and (5) a subfolder of 9.4 Tesla (9.4T) FTICR-MS data. This folder contains the CoreMS processed data and seven subfolders, thee containing .xml files for each sample type (sediment, surface water and blank samples), three containing the sediment CoreMS output files for each sample type (sediment, surface water and blank samples), and the other containing instructions and scripts for processing the files in CoreMS (https://github.com/EMSL-Computing/CoreMS). All files are .csv, .pdf, .R, .xml, .Rmd, .py, .cal, .json, .jpg, or .jpeg.

Biogeochemistry↗

Advanced Automotive Fuels Research, Development, and Commercialization Cluster (OH) (Final Report)

Technical aspects of producing alternative fuels that may eventually supplement or replace conventional the petroleum-derived fuels that are presently used in vehicular transportation have been investigated. The work was centered around three projects: 1) deriving butanol as a fuel additive from bacterial action on sugars produced from decomposition of aqueous suspensions of wood cellulose under elevated temperature and pressure; 2) using highly ordered, openly structured molecules known as metal-organic framework (MOF) compounds as adsorbents for gas separations in fuel processing operations; and 3) developing a photocatalytic membrane for solar-driven water decomposition to generate pure hydrogen fuel. Several departments within the STEM College at YSU contributed to the effort: Chemistry, Biology, and Chemical Engineering. In the butanol project, sawdust was blended with water at variable pH and temperature (150 – 250 °C), and heated inside a pressure vessel for specified periods of time. Analysis of the extracts showed a wide variety of compounds, including simple sugars that bacteria are known to thrive upon. Samples of the cellulose hydrolysate were fed to colonies of Clostridium beijerinckii, which are known to convert sugars to a mixture of compounds, principally butanol. While the bacteria were active toward additions of pure sugar solutions, the cellulose extract appeared to inhibit butanol production, and furthermore encouraged the Clostridium to become dormant. Proteomic analysis showed that the bacteria had changed their genetic code to where it was becoming sporulated, i.e., the bacteria were trying to go dormant. This finding may be an opportunity, as it may be possible to genetically engineer bacteria that resist the butanol-driven triggering mechanism to stop further fuel production. Another way of handling the cellulosic hydrolysates was to simply add the enzymes responsible for butanol synthesis to the hydrolytic extract ex-vivo. These enzymes are generally not available commercially, however, and those that are can be quite expensive. Accordingly, the genes responsible for enzyme synthesis were inserted into other microorganisms in order to accelerate enzyme production. This was demonstrated for two of the required enzymes in the overall series. In the MOF project, a number of new MOF compounds were synthesized and characterized, as well as some common MOFs well-known for their adsorption properties. Selectivity for specific gases such as CO 2 and H 2 was demonstrated, although it was seen that water vapor would frequently act as an interferent. This work underscored the need to test MOF compounds under real world conditions, i.e., room temperature and above instead of liquid N 2 temperature, and testing adsorption using blends of gases instead of pure components. In the solar membrane project, thin films of CdTe and WO 3 were applied to steel substrates and used as p-type and n-type semiconductors, respectively, in the production of H 2 and O 2 . Testing with 2 H and 18 O isotopically labeled water enabled substantiation of net water-splitting.

08 HYDROGEN↗

The suitability of differentiable, physics-informed machine learning hydrologic models for ungauged regions and climate change impact assessment

As a genre of physics-informed machine learning, differentiable process-based hydrologic models (abbreviated as δ or delta models) with regionalized deep-network-based parameterization pipelines were recently shown to provide daily streamflow prediction performance closely approaching that of state-of-the-art long short-term memory (LSTM) deep networks. Meanwhile, δ models provide a full suite of diagnostic physical variables and guaranteed mass conservation. Here, we ran experiments to test (1) their ability to extrapolate to regions far from streamflow gauges and (2) their ability to make credible predictions of long-term (decadal-scale) change trends. We evaluated the models based on daily hydrograph metrics (Nash–Sutcliffe model efficiency coefficient, etc.) and predicted decadal streamflow trends. For prediction in ungauged basins (PUB; randomly sampled ungauged basins representing spatial interpolation), δ models either approached or surpassed the performance of LSTM in daily hydrograph metrics, depending on the meteorological forcing data used. They presented a comparable trend performance to LSTM for annual mean flow and high flow but worse trends for low flow. For prediction in ungauged regions (PUR; regional holdout test representing spatial extrapolation in a highly data-sparse scenario), δ models surpassed LSTM in daily hydrograph metrics, and their advantages in mean and high flow trends became prominent. In addition, an untrained variable, evapotranspiration, retained good seasonality even for extrapolated cases. The δ models' deep-network-based parameterization pipeline produced parameter fields that maintain remarkably stable spatial patterns even in highly data-scarce scenarios, which explains their robustness. Combined with their interpretability and ability to assimilate multi-source observations, the δ models are strong candidates for regional and global-scale hydrologic simulations and climate change impact assessment.

54 ENVIRONMENTAL SCIENCES↗

The first full orbit of η Carinae seen by Fermi

The binary system η Carinae has completed its first 5.54 y orbit since the beginning of science operation of the Fermi Large Area Telescope (LAT). We are now able to investigate the high-energy γ-ray source at the position of η Carinae over its full orbital period. By this, we can address and confirm earlier predictions for temporal and spectral variability. Here, newer versions of the LAT datasets, instrument response functions and background models allow for a more accurate analysis. Therefore it is important to re-evaluate the previously analyzed time period along with the new data to further constrain location, spectral shape, and flux time history of the γ-ray source. As a result, we confirm earlier predictions of increasing flux values above 10 GeV toward the next periastron passage. For the most recent part of the data sample, flux values as high as those before the first periastron passage in 2008 are recorded. A comparison of spectral energy distributions around periastron and apastron passages reveals strong variation in the high-energy band. This is due to a second spectral component that is present only around periastron. In conclusion, improved spatial consistency with the γ-ray source at the position of η Carinae along with the confirmation of temporal variability above 10 GeV in conjunction with the orbital period strengthens the argument for unambiguous source identification. Spectral variability provides additional constraints for future modeling of the particle acceleration and γ-ray emission in colliding-wind binary systems.

79 ASTRONOMY AND ASTROPHYSICS↗

A Holocene East Asian winter monsoon record at the southern edge of the Gobi Desert and its comparison with a transient simulation

The East Asian winter monsoon (EAWM) exhibits significant variability on intraseasonal, interannual, and interdecadal time scales and the variability can be extended to Holocene centennial and millennial scales. Previous Holocene EAWM proxy data records, which were mostly located in Central, Eastern and Southern China, did not show a consistent Holocene EAWM history. Therefore, it is difficult to provide insights into mechanisms of the long-term winter monsoon variability on the basis of the records. Eolian sediments at the southern edge of the Gobi Desert, Western China, are sensitive to the EAWM changes and less affected by the East Asian summer monsoon due to an obstruction of the Qinghai–Tibet Plateau. Here, this paper presents a comparison between a well-dated Holocene EAWM record and coupled climate model simulations, so as to explore physical processes and influencing factors of the Holocene EAWM. Sediment samples from two Holocene eolian sedimentary sections [Huangyanghe (a) and Huangyanghe (b)] were acquired at the southern edge of the Gobi Desert. Chronologies were established based on twenty bulk organic matter AMS 14 C ages and five pollen concentrates AMS 14 C ages. Proxy data, including grain-size, total organic carbon, magnetic susceptibility and carbonate content were obtained from the two eolian sections. The grain-size standard deviation model was applied to determine components sensitive to variability of the Holocene EAWM. After a comparison of environmentally-sensitive grain-size components and proxy data, the 20–200 μm component at the Huangyanghe (a) and the 20–159 μm component at the Huangyanghe (b) section were selected as indicators of the Holocene EAWM, which show a strong early Holocene winter monsoon and a decline of the winter monsoon since the mid-Holocene. We also present equilibrium and transient simulations of the climate evolution for the Holocene using a state-of-art coupled climate model: the Community Climate System Model version 3 (CCSM3). Indices for the Holocene EAWM were calculated and are consistent with the reconstructed Holocene EAWM intensity. The simulations indicate that orbital forcing effects on the land-sea temperature and sea level pressure contrast can account for the observed EAWM trends. Other forcings that were present in the early Holocene, including the remnant Laurentide ice sheet and meltwater forcing in the North Atlantic, were not responsible for the Holocene trends.

54 ENVIRONMENTAL SCIENCES↗

Mechanical evaluation of WC-Co materials with varying microstructures

Tungsten carbide–cobalt materials are useful in a variety of extreme applications due to a desirable blend of properties, yet the technology has not significantly changed since their initial development in the 1920s. The mechanical properties of this class of materials is highly dependent on two variables, the size of the tungsten carbide grains, and the amount of binder phase present in the final body. In this study, the amount of binder phase is isolated across three commercial materials from the same manufacturer with three different grain sizes to investigate the effect on mechanical properties. The mechanical properties investigated are indentation hardness, flexure and tensile strength, as well as fracture toughness. In general, an increase in hardness and tensile strength with decreasing grain size was observed, while the fracture toughness showed the opposite trend with toughness increasing with increasing grain size. The flexure strength results did not show a correlation to grain size. Fractographic analysis identified the dominant strength-limiting flaw for each sample, which largely were in the form of porosity. Other flaws types, such as inclusions from the milling process, clusters of large grains, and machining cracks from the surface finishing process, were also identified. Finally, Weibull analysis was performed and deemed appropriate for analysis of these materials, but strength-size scaling was not conducted due to the variability in the strength-limiting feature between the different specimen geometries.

36 MATERIALS SCIENCE↗

Heterogeneity of the Dominant Causes of Performance Loss in End-of-Life Cathodes and Their Consequences for Direct Recycling

Recycling Li-ion batteries from electric vehicles is critical for reducing costs and supporting the development of a domestic battery supply chain. Direct recycling of cathodes, like LiNixMnyCozO2 (NMC), is attractive due to its low cost, energy use, and emissions compared to traditional recycling techniques. However, a comprehensive understanding of the active material properties at end-of-life is needed to guide direct recycling processes and the performance-dependent reuse applications. Here, NMC material from an end-of-life commercial pouch cell is characterized and bench-marked against pristine non-cycled counterparts with respect to capacity, impedance, crystallography, morphology, and microstructure to identify major degradation modes and understand variability in the end-of-life material. The spatial heterogeneity of each property throughout the cell is also quantified. While the degraded material demonstrated similar capacity as the pristine, its impedance and rate capability are severely diminished. Furthermore, samples from the periphery of the electrode layers showed more severe performance loss compared to samples extracted from central regions. The dominant culprit of performance loss is the material microstructure, where the magnitude of particle cracking showed the strongest correlation to the impedance components that are most unfavorably impacted. This work suggests severe cracks in cathode active materials are the primary challenge that direct recycling methods must overcome.

25 ENERGY STORAGE↗

Comprehensive Analysis of Model Parameter Uncertainty Influence on Evaluation of HVAC Operation to Mitigate Indoor Virus: A Case Study for an Office Building in a Cold and Dry Climate

Simulation-based studies of HVAC operation to mitigate indoor virus have been conducted to understand tradeoffs between indoor air quality (IAQ) and energy consumption. However, the influence of model parameter uncertainty in these studies has not been systematically quantified, which is critical when providing guidance to building operators. To address this gap, we identify 20 model parameters for a typical medium office building system in a cold and dry climate that can influence IAQ and energy consumption for indoor virus scenarios. Next, the distributions of the parameter values are estimated from literature and a set of simulation samples for three representative days is generated that simultaneously sample all of the parameters from their distributions. Two HVAC virus mitigation strategies are studied: increased filtration using MERV 13 filters and increased ventilation, via supply of 100% outdoor air into buildings. The model parameter uncertainty leads to significant variability in the results, particularly for the IAQ because of the highly uncertain virus generation rate. Use of 100% outdoor air can be beneficial for some uncertain scenarios on the hot day, but shows less IAQ improvement and/or significant energy increases on the other days. The virus removal efficiency and pressure drop of the HVAC filter, fan efficiency, and internal heat gain are the most important parameters to determining the tradeoffs of the two strategies. Our results demonstrate how this model parameter uncertainty analysis methodology can provide practical guidance to building operators.

32 ENERGY CONSERVATION, CONSUMPTION, AND UTILIZATI↗

Room temperature synthesis of β-NaGdF 4 : RE 3+ (RE= Eu, Er) nanocrystallites and their luminescence

In this study, a room temperature synthesis was developed for phase pure β-NaGdF 4 nanocrystallites as well as 5, 10, and 20% Eu 3+ or 5% Er 3+ doped material. Rare earth acetates and NaCl react in a 1:2 M ratio with a variable excess of NH 4 F in ethylene glycol within 24 hours. Since the thermodynamic stability of the hexagonal phase decreases along the lanthanide series, a larger excess of NH 4 F was required for the synthesis of luminescent samples doped with the smaller Er 3+ ions than for Eu 3+ doped or pure β-NaGdF 4 . The materials were characterized by powder X-ray diffraction, electron microscopy, and luminescence spectroscopy. The Eu 3+ -doped samples show 5 D 0 → 7 F J and 5 D 1 → 7 F J luminescence after Eu 3+ excitation at 394 nm or Gd 3+ excitation at 273 nm and 308 nm. The ratio of 5 D 1 vs. 5 D 0 luminescence is influenced by the excitation wavelength and the Eu 3+ concentration. Lastly, the Er 3+ -doped samples show green and red upconversion luminescence, respectively, from the 2 H 11/2 + 4 S 3/2 → 4 I 15/2 and 4 F 9/2 → 4 I 15/2 transitions after 970 nm excitation.

36 MATERIALS SCIENCE↗

MiR-3202 protects smokers from chronic obstructive pulmonary disease through inhibiting FAIM2: An in vivo and in vitro study

Highlights: • Smoking decreased level of miR-3202 both in COPD patients and normal donors. • The miR-3202 influenced the release of inflammatory factors through targeting FAIM2 in T lymphocytes. • Abnormal expression of miR-3202 in T lymphocytes damaged human bronchial epithelial cells. Previous study found the variable miR-3202 as a potential biomarker in smoker with or without chronic obstructive pulmonary disease (COPD). This study aims to identify the molecular involvement of miR-3202 in the pathophysiology of COPD. Level of miR-3202 in blood sample of non-smoker non-COPD(C), smoker without COPD(S), smoker with stable COPD(S-COPD) and smoker with acute exacerbation COPD(AE-COPD) was observed by quantitative real-time PCR. By bioinformatics prediction, Fas apoptotic inhibitory molecule 2 (FAIM2) was identified as a potential target of miR-3202. In vitro, human bronchial epithelial (HBE) cells and cigarette smoke extract (CSE) stimulated T lymphocytes were co-cultured. Cell proliferation and apoptosis of HBE cells were determinated. In vivo, rats were exposed in cigarette smoke for 30 days and expression of miR-3202 and FAIM2 in bronchia were detected. Results showed that The miR-3202 was down-regulated in S, S-COPD and AE-COPD group when compared with C group. Decreased level of miR-3202 was also observed in CSE treated T lymphocyte. Additionally, CSE stimulation increased INF-γ and TNF-α levels and FAIM2 expression whereas inhibited Fas and FasL expressions in T lymphocytes. However, these effects were significantly suppressed by miR-3202 overexpression and enhanced by miR-3202 inhibitor. Likely to exogenous miR-3202, FAIM2 knockdown significantly inhibited HBE cells apoptosis, as well as inhibited INF-γ and TNF-α levels. In COPD rats model, miR-3202 was reduced while FAIM2 was up-regulated accordingly. Here, results suggest that high level miR-3202 in T lymphocytes may protect epithelial cells through targeting FAIM2. MiR-3202 might be used as a notable biomarker of COPD.

60 APPLIED LIFE SCIENCES↗

Probabilistic variable-length segmentation of protein sequences for discriminative motif discovery (DiMotif) and sequence embedding (ProtVecX)

In this paper, we present peptide-pair encoding (PPE), a general-purpose probabilistic segmentation of protein sequences into commonly occurring variable-length sub-sequences. The idea of PPE segmentation is inspired by the byte-pair encoding (BPE) text compression algorithm, which has recently gained popularity in subword neural machine translation. We modify this algorithm by adding a sampling framework allowing for multiple ways of segmenting a sequence. PPE segmentation steps can be learned over a large set of protein sequences (Swiss-Prot) or even a domain-specific dataset and then applied to a set of unseen sequences. This representation can be widely used as the input to any downstream machine learning tasks in protein bioinformatics. In particular, here, we introduce this representation through protein motif discovery and protein sequence embedding. (i) DiMotif: we present DiMotif as an alignment-free discriminative motif discovery method and evaluate the method for finding protein motifs in three different settings: (1) comparison of DiMotif with two existing approaches on 20 distinct motif discovery problems which are experimentally verified, (2) classification-based approach for the motifs extracted for integrins, integrin-binding proteins, and biofilm formation, and (3) in sequence pattern searching for nuclear localization signal. The DiMotif, in general, obtained high recall scores, while having a comparable F1 score with other methods in the discovery of experimentally verified motifs. Having high recall suggests that the DiMotif can be used for short-list creation for further experimental investigations on motifs. In the classification-based evaluation, the extracted motifs could reliably detect the integrins, integrin-binding, and biofilm formation-related proteins on a reserved set of sequences with high F1 scores. (ii) ProtVecX: we extend k-mer based protein vector (ProtVec) embedding to variablelength protein embedding using PPE sub-sequences. We show that the new method of embedding can marginally outperform ProtVec in enzyme prediction as well as toxin prediction tasks. In addition, we conclude that the embeddings are beneficial in protein classification tasks when they are combined with raw amino acids k-mer features.

59 BASIC BIOLOGICAL SCIENCES↗

DISCOVERY OF γ-RAY EMISSION FROM THE STRONGLY LOBE-DOMINATED QUASAR 3C 275.1

We systematically analyze the 6 year Fermi/Large Area Telescope (LAT) data on lobe-dominated quasars (LDQs) in the complete LDQ sample from the Revised third Cambridge Catalogue of Radio Sources (3CRR) survey and report the discovery of high-energy γ-ray emission from 3C 275.1. The γ-ray emission of 3C 207 is confirmed and significant variability of the light curve is identified. We do not find statistically significant γ-ray emission from other LDQs. 3C 275.1 is the known γ-ray quasar with the lowest core dominance parameter (i.e., R = 0.11). We also show that both the northern radio hotspot and parsec jet models can reasonably reproduce the γ-ray data. The parsec jet model, however, is favored by the potential γ-ray variability on a timescale of months. We suggest that some dimmer γ-ray LDQs will be detected in the future and LDQs could contribute non-ignorably to the extragalactic γ-ray background.

79 ASTRONOMY AND ASTROPHYSICS↗

Identifying Potential Geochemical and Microbial Impacts of Hydrogen Storage in a Deep Saline Aquifer

Hydrogen is valuable commodity and a promising energy carrier for variable energy production. Storage of hydrogen may occur through injection of hydrogen or a hydrogen/methane gas blend in subsurface reservoirs. However, the geochemical and biological reactions that may impact the stored hydrogen are not yet understood. Therefore, we collected samples from a deep storage aquifer located in the St. Peter Formation in southern Illinois. The reservoir material was primarily quartz with sulphur and iron deposits, while the major constituents of the fluid were chloride and sulphate. 16S rRNA gene amplicon sequencing revealed a low biomass microbial community that contained no obvious hydrogen-consuming bacteria. Next, we enriched a field sample to increase the biomass and completed a metagenomic analysis, finding a low number of genes present that are associated with hydrogen consumption. Then, we completed a series of reactor experiments under reservoir conditions with 15% H2/85% CH4 gas simulating a short-term hydrogen storage, high withdrawal scenario. We found minimal changes in the geochemistry or microbiology for the reactor experiments. This work suggests that short-term storage may be highly successful, although significant additional work needs to be completed in order to accurately evaluate the risks associated with long-term hydrogen storage scenarios. It is essential we continue to expand our understanding of the dynamics present in saline aquifers and provide new insights into how hydrogen storage may impact underground geological storage environments.

54 ENVIRONMENTAL SCIENCES↗