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At least 1,081 records · Page 60

Eukaryotic genomes from a global metagenomic data set illuminate trophic modes and biogeography of ocean plankton

ABSTRACT Metagenomics is a powerful method for interpreting the ecological roles and physiological capabilities of mixed microbial communities. Yet, many tools for processing metagenomic data are neither designed to consider eukaryotes nor are they built for an increasing amount of sequence data. EukHeist is an automated pipeline to retrieve eukaryotic and prokaryotic metagenome-assembled genomes (MAGs) from large-scale metagenomic sequence data sets. We developed the EukHeist workflow to specifically process large amounts of both metagenomic and/or metatranscriptomic sequence data in an automated and reproducible fashion. Here, we applied EukHeist to the large-size fraction data (0.8–2,000 µm) from Tara Oceans to recover both eukaryotic and prokaryotic MAGs, which we refer to as TOPAZ (Tara Oceans Particle-Associated MAGs). The TOPAZ MAGs consisted of >900 environmentally relevant eukaryotic MAGs and >4,000 bacterial and archaeal MAGs. The bacterial and archaeal TOPAZ MAGs expand upon the phylogenetic diversity of likely particle- and host-associated taxa. We use these MAGs to demonstrate an approach to infer the putative trophic mode of the recovered eukaryotic MAGs. We also identify ecological cohorts of co-occurring MAGs, which are driven by specific environmental factors and putative host-microbe associations. These data together add to a number of growing resources of environmentally relevant eukaryotic genomic information. Complementary and expanded databases of MAGs, such as those provided through scalable pipelines like EukHeist, stand to advance our understanding of eukaryotic diversity through increased coverage of genomic representatives across the tree of life. IMPORTANCE Single-celled eukaryotes play ecologically significant roles in the marine environment, yet fundamental questions about their biodiversity, ecological function, and interactions remain. Environmental sequencing enables researchers to document naturally occurring protistan communities, without culturing bias, yet metagenomic and metatranscriptomic sequencing approaches cannot separate individual species from communities. To more completely capture the genomic content of mixed protistan populations, we can create bins of sequences that represent the same organism (metagenome-assembled genomes [MAGs]). We developed the EukHeist pipeline, which automates the binning of population-level eukaryotic and prokaryotic genomes from metagenomic reads. We show exciting insight into what protistan communities are present and their trophic roles in the ocean. Scalable computational tools, like EukHeist, may accelerate the identification of meaningful genetic signatures from large data sets and complement researchers’ efforts to leverage MAG databases for addressing ecological questions, resolving evolutionary relationships, and discovering potentially novel biodiversity.

59 BASIC BIOLOGICAL SCIENCES↗

Machine Learning Assisted HPC Workload Trace Generation for Leadership Scale Storage Systems

Monitoring and analyzing a wide range of I/O activities in an HPC cluster is important in maintaining mission-critical performance in a large-scale, multi-user, parallel storage system. Center-wide I/O traces can provide high-level information and fine-grained activities per application or per user running in the system. Studying such large-scale traces can provide helpful insights into the system. It can be used to develop predictive methods for making predictive decisions, adjusting scheduling policies, or providing decisions for the design of next-generation systems. However, sharing real-world I/O traces to expedite such research efforts leaves a few concerns; i) the cost of sharing the large traces is expensive due to this large size, and ii) privacy concern is an issue.We address such issues by building an end-to-end machine learn- ing (ML) workflow that can generate I/O traces for large-scale HPC applications. We leverage ML based feature selection and gener- ative models for I/O trace generation. The generative models are trained on I/O traces collected by the darshan I/O characterization tool over a period of one year. We present a two-step generation process consisting of two deep-learning models, called the feature generator and the trace generator. The combination of two-step generative models provides robustness by reducing the bias of the model and accounting for the stochastic nature of the I/O traces across different runs of an application. We evaluate the performance of the generative models and show that the two-step model can generate time-series I/O traces with less than 20% root mean square error.

Paul, Arnab↗

Large Language Models for the Creation and Use of Semantic Ontologies in Buildings: Requirements and Challenges

Semantic ontologies offer a formalized, machine-readable framework for representing knowledge, enabling the structured description of complex systems. In the building domain, the adoption of ontologies like the Brick schema has transformed how buildings and their systems are modeled by providing a standardized, interoperable language. However, the complexity and the steep learning curve involved in developing and querying semantic models present substantial challenges, often requiring a workforce with specialized expertise. This paper builds on our experience in investigating how Large Language Models (LLMs) can help address these challenges, focusing on their role in constructing and querying of semantic models, particularly using the Brick Schema. Our study outlines the requirements and metrics for evaluating the scalability and effectiveness of LLM-based tools, while also discussing the current challenges and limitations in developing such tools. Ultimately, this paper aims to orient research efforts as various groups experiment with diverse techniques, while enabling more effective comparison of emerging solutions and fostering collaboration across the field.

Mulayim, Ozan Baris↗

Editors’ Choice—Review—Designing Defects and Diffusion through Substitutions in Metal Halide Solid Electrolytes

Ternary metal halides A 3 MX 6 , ( A = Li + , Na + ; M = trivalent metal; X = halide) are a promising family of solid electrolytes for potential applications in all-solid-state batteries. Recent research efforts have demonstrated that chemical substitution at all three sites is an effective strategy to controlling battery-relevant material properties. The A 3 MX 6 family exhibits a wide breadth of structure and anion sublattice types, making it worthwhile to comprehend how chemical substitutions manifest desirable functional properties including ion transport, electrochemical stability, and environmental tolerance. Yet, a cohesive understanding of the materials design principles for these substitutions have not yet been developed. Here, we bring together prior literature focused on chemical substitutions in the A 3 MX 6 ternary metal halide solid electrolytes. Using materials chemistry perspectives and principles, we aim to provide insights into the relationships between crystal structure, choice of substituting ions and the extent of substitutions, ionic conductivity, and electrochemical stability. We further present targeted approaches to future substitution studies to enable transformative advances in A 3 MX 6 solid electrolytes and all-solid-state batteries.

25 ENERGY STORAGE↗

sas-temper

Modeling remains a considerable challenge for practitioners of SAXS and SANS because the materials being studied are not highly ordered, the length scales being studied are large, and the information content of the data is low. Data analysis is both challenging and time consuming. Novices often rely on the assistance of an expert, such as the instrument scientist who supported them at the facility where the experiment was performed, to analyze their data. The high flux provided by modern facilities makes it possible to study dozens of samples or sample conditions during a single trip. Ultimately, the high throughput of modern instruments limits access to instrument scientists. A bottleneck in the research effort results that reduces facility productivity. Sas-temper seeks to address this problem, as well as the intrinsic difficulties of being confident in non-linear least squared fitting of data, by providing tools that automate much of the manual process of initial data fitting and refinement, as well as by providing tools for characterizing the nature of the parameter space that fits the measured data. The tools provided by sas-temper help small-angle scattering practitioners transition data into results.

Heller, William [Oak Ridge National Lab. (ORNL), O↗

Stardust Network Measurement Components (esnet-stardust-components) v1

This software contains a set of components that allow us to measure and analyze the use and performance of computer networks using existing off the shelf Open Source components organized into a scalable and extensible system. The components were developed for and used within ESnet's Stardust Measurement Environment. The components are used to collect, process and display network measurement data in an architecture that employs a combination of Elasticsearch, Logstash and Grafana. The advantage of this approach is we can tailor system behavior to our analytical needs and expand its capability with new types of network measurement without waiting for a commercial vendor to support our fairly niche use cases. Additionally we have existing collaborations within our community that came about from prior research efforts that will benefit from the release of this software so that others can also contribute features.

Balas, Edward↗

Cyote Research Tool Library

The software is a library of individual proof-of-concept tools to be further developed in research efforts with partner utilities to detect indicators of Cyber Attacks within the Operational Technology Environments.

Wellman, LawrenceR.↗

Lassa virus protein–protein interactions as mediators of Lassa fever pathogenesis

Viral hemorrhagic Lassa fever (LF), caused by Lassa virus (LASV), is a significant public health concern endemic in West Africa with high morbidity and mortality rates, limited treatment options, and potential for international spread. Despite advances in interrogating its epidemiology and clinical manifestations, the molecular mechanisms driving pathogenesis of LASV and other arenaviruses remain incompletely understood. This review synthesizes current knowledge regarding the role of LASV host-virus interactions in mediating the pathogenesis of LF, with emphasis on interactions between viral and host proteins. Through investigation of these critical protein–protein interactions, we identify potential therapeutic targets and discuss their implications for development of medical countermeasures including antiviral drugs. This review provides an update in recent literature of significant LASV host-virus interactions important in informing the development of targeted therapies and improving clinical outcomes for LF patients. Knowledge gaps are highlighted as opportunities for future research efforts that would advance the field of LASV and arenavirus pathogenesis.

60 APPLIED LIFE SCIENCES↗

Mapping the immunogenic landscape of near-native HIV-1 envelope trimers in non-human primates

The induction of broad and potent immunity by vaccines is the key focus of research efforts aimed at protecting against HIV-1 infection. Soluble native-like HIV-1 envelope glycoproteins have shown promise as vaccine candidates as they can induce potent autologous neutralizing responses in rabbits and non-human primates. In this study, monoclonal antibodies were isolated and characterized from rhesus macaques immunized with the BG505 SOSIP.664 trimer to better understand vaccine-induced antibody responses. Our studies reveal a diverse landscape of antibodies recognizing immunodominant strain-specific epitopes and non-neutralizing neo-epitopes. Additionally, we isolated a subset of mAbs against an epitope cluster at the gp120-gp41 interface that recognize the highly conserved fusion peptide and the glycan at position 88 and have characteristics akin to several human-derived broadly neutralizing antibodies.

59 BASIC BIOLOGICAL SCIENCES↗

Recent developments on polymeric membranes for CO 2 capture from flue gas

Polymeric membranes have been widely considered as one of the next-generation technologies for CO 2 capture from fossil fuel-derived flue gases. This separation modality requires novel polymeric materials that possess efficient CO 2 /N 2 separation properties, as well as chemical and mechanical stability for a multiyear membrane lifetime. In this paper, recent developments in polymeric membranes tailored for post-combustion carbon capture are reviewed. The selected polymeric materials encompass ether oxygen-rich polymers, polynorbornenes, ionic liquid membranes, and facilitated transport membranes. In each of the selected materials, noteworthy research efforts for material design and membrane formation are highlighted. The performances of the selected materials are compared in the CO 2 /N 2 selectivity-CO 2 permeance plot. As the only class of materials reviewed herein that have demonstrated the fabrication of thin-film composite membranes in scale, facilitated transport membranes have shown both high selectivity and permeance at relevant conditions for post-combustion carbon capture. Finally, comprehensive field tests are needed to resolve the technical gap between the material development and the commercial application.

20 FOSSIL-FUELED POWER PLANTS↗

The Geochemistry and Microbial Ecology of Produced Waters from Three Different Unconventional Oil and Gas Regions

One of the most significant challenges associated with predicting reservoir fluid properties is accounting for the effect of microbial activity, which catalyzes chemical reactions that lead to corrosion and sulfide release during or after hydraulic fracturing operations. The current understanding of microbial populations living in hydraulic fracturing systems is based on a limited number of samples and well sites, necessitating additional research efforts to confirm preliminary findings and identify factors driving the microbial ecology. The project objective is to profile the geochemistry and microbiology of three different oil and gas basins to order increase the understanding of how microbial activity affects reservoir fluids.

Lipus, Daniel↗

Rethinking hysteresis in magnetic materials

Abstract Magnetic materials with zero hysteresis are posed to have a significant impact on sustainable energy conversion, electronics, and communication technologies. As the global market for soft magnetic materials continues to expand, driven by increasing demand in renewable energy, automotive, and power transmission sectors, it is important to design magnets that can be cycled under an external field reversibly and rapidly multiple times without a decay in magnetic response. However, designing magnets with small hysteresis has been a challenge because we do not fully understand its origins. In this article, I outline key research efforts investigating the fundamental mechanisms underpinning hysteresis in soft magnets and, highlight recent developments in the use of nonlinear analysis and nucleation barrier methods to predict coercivity in these materials. Graphical abstract

Renuka Balakrishna, Ananya (ORCID:0000000306015257↗

Catalytic Hydroprocessing of Single-Cell Oils to Hydrocarbon Fuels : Converting microbial lipids to fuels is a promising approach to replace fossil fuels

Microbial lipids hold great promise as biofuel precursors, and research efforts to convert such lipids to renewable diesel fuels have been increasing in recent years. In contrast to the numerous literature reviews on growing, characterising and extracting lipids from oleaginous microbes, and on converting vegetable oils to hydrocarbon fuels, this review aims to provide insight into aspects that are specific to hydroprocessing microbial lipids. While standard hydrotreating catalysts generally perform well with terrestrial oils, differences in lipid speciation and the presence of co-extracted compounds, such as chlorophyll and sterols, introduce additional complexities into the process for microbial lipids. Lipid cleanup steps can be introduced to produce suitable feedstocks for catalytic upgrading.

09 BIOMASS FUELS↗

CO2-SCREEN

CO2 Storage prospeCtive Resource Estimation Excel aNalysis (CO2-SCREEN) is a tool which was developed by the Department of Energy’s National Energy Technology Laboratory (DOE-NETL) to screen saline formations for prospective CO2 storage resources. CO2-SCREEN applies U.S. DOE methods and equations for estimating prospective CO2 storage resources for saline formations. This provides a dependable method for calculating prospective CO2 storage resources which allows for consistent comparison of results between different research efforts. CO2-SCREEN latest version (v5.0) is a python application that utilizes a Java front end user interface. The 3.0 version consists of an Excel spreadsheet containing geologic inputs and outputs, linked to a GoldSim Player model that calculates prospective CO2 storage resources via Monte Carlo simulation. https://www.youtube.com/watch?v=lhakk-HYfOI

CO2 Storage Resource,Prospective Storage,Screening↗

Energy Community Atlas

The Energy Community Atlas provides efficient access to authoritative, curated, and relevant data that is vital to supporting energy planning, development, and economic growth across the U.S. In this effort, researchers at the National Energy Technology Laboratory (NETL) are utilizing advanced data visualization and transformation capabilities to develop an integrated, data atlas and resource focused on supporting energy community transitions to new manufacturing opportunities. Specifically, this project is working to find, acquire, integrate, and virtually host in a user-friendly, public and private solution from available resources, relevant to understanding and characterizing fossil energy communities themselves and inform energy planning, development, and economic growth opportunities, including opportunities for co-development to support manufacturing, critical materials, and more. This Atlas when complete is to offer a one-stop-shop for stakeholders to derive new insights to accelerate energy investments and strategic decision support needs. These are following datasets that are available as part of this ongoing project • Energy Community Atlas Map Package - This is ArcPro Map package and it contains all of the symbolized layers along with ArcPro map and geodatabase • Energy Community Atlas ArcGIS REST service - https://www.arcgis.com/apps/mapviewer/index.html?panel=gallery&suggestField=true&layers=537ced69bd88440380a62c2ec8aca30c • README Energy Community Atlas - Read me word document that has details about feature classes in Map package, ArcPro map and ArcGIS Rest Service

Bipartisan Infrastructure Law↗

The Carbon Storage Technical Viability Approach (CS TVA)

The Carbon Storage Technical Viability Approach (CS TVA) StoryMap provides an in-depth overview of the products created during the CS TVA research effort. In detail, the StoryMap addresses the CS TVA Matrix, Database Version 2.0, Database Catalog, Workflow, and Data Availability Result Database, discussing how each was developed and implemented. Information on how the matrix, database, and database catalog are interconnected, and their usage is also explained. The workflow section provides information on the CS TVA product development from the data-gathering stage to the final data availability results. A section on an expansion of the CS TVA workflow that utilizes Natural Language processing (NLP) section was included. Finally, the Data Availability Results Database is discussed. These results provide data science-informed insights into potential data gaps when assessing the viability of carbon storage in a given area or region.

Carbon Storage↗

Beam optics design of a prototype 20 kW conduction-cooled SRF accelerator for medical sterilization

Superconducting technology has significantly advanced the capabilities of particle accelerators, facilitating higher beam-power operations for fundamental research at a comparatively lower cost. However, the conventional implementation of superconducting technology introduces complexities in the form of cryogenic plants, cryogenic distribution systems and substantial construction and operational cost. In response to these challenges, recent research efforts at Fermilab have been dedicated to the development of a cryogen-free, conduction-cooled Nb3Sn-based superconducting technology. This paper outlines the beam optics design of a 20-kW conduction-cooled compact superconducting accelerator for medical sterilization. The paper reviews both the physics and practical constraints associated with high beam-power operation within the context of industrial applications. The focus is on providing insights into the potential of this innovative technology to overcome existing challenges and pave the way for more accessible and efficient industrial particle accelerators.

Saini, A. [Fermilab]↗

Plasma processing of SRF cavities at Jefferson Lab: Experiment results and simulation insight

Plasma processing of superconducting radio frequency (SRF) cavities has been an active research effort at Jefferson Lab (JLab) since 2019, aimed at enhancing cavity performance by removing hydrocarbon contaminants and reducing field emission. In this experiment, processing using argon-oxygen and helium-oxygen gas mixtures to find minimum ignition power at different cavity pressure was investigated. Ongoing simulations are contributing to a better understanding of the plasma surface interactions and the fundamental physics behind the process. These simulations, combined with experimental studies, guide the optimization of key parameters such as gas type, RF power, and pressure to ignite plasma using selected higher-order mode (HOM) frequencies. This paper presents experimental data from argon-oxygen and helium-oxygen gas mixture C75 and C100 cavity plasma ignition studies, as well as simulation results for the C100-type cavity based on the COMSOL model previously applied to the C75 cavity.

Accelerator Physics↗