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DOE OSTI2020

ABINIT: Overview and focus on selected capabilities

ABINIT is probably the first electronic-structure package to have been released under an open-source license about 20 years ago. It implements density functional theory, density-functional perturbation theory (DFPT), many-body perturbation theory (GW approximation and Bethe–Salpeter equation), and more specific or advanced formalisms, such as dynamical mean-field theory (DMFT) and the “temperature-dependent effective potential” approach for anharmonic effects. Relying on planewaves for the representation of wavefunctions, density, and other space-dependent quantities, with pseudopotentials or projector-augmented waves (PAWs), it is well suited for the study of periodic materials, although nanostructures and molecules can be treated with the supercell technique. The present article starts with a brief description of the project, a summary of the theories upon which ABINIT relies, and a list of the associated capabilities. It then focuses on selected capabilities that might not be present in the majority of electronic structure packages either among planewave codes or, in general, treatment of strongly correlated materials using DMFT; materials under finite electric fields; properties at nuclei (electric field gradient, Mössbauer shifts, and orbital magnetization); positron annihilation; Raman intensities and electro-optic effect; and DFPT calculations of response to strain perturbation (elastic constants and piezoelectricity), spatial dispersion (flexoelectricity), electronic mobility, temperature dependence of the gap, and spin-magnetic-field perturbation. The ABINIT DFPT implementation is very general, including systems with van der Waals interaction or with noncollinear magnetism. Community projects are also described: generation of pseudopotential and PAW datasets, high-throughput calculations (databases of phonon band structure, second-harmonic generation, and GW computations of bandgaps), and the library libpaw. ABINIT has strong links with many other software projects that are briefly mentioned.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗

DOE OSTI2023

The Need for Nb3Sn Coated Cu Cavities for Future Accelerators

Based on current efforts in the U.S. on the novel concept of parallel-feed RF accelerator structures, and in the U.S. and abroad in producing Nb3Sn films on either Cu or bronze, we rec-ommend that the Particle Physics community foster R&D in Superconducting Nb3Sn coated Cu RF Cavities instead of costly bulk Nb. The paper includes methods to process the coated cavi-ties at temperatures consistent with Cu retaining its shape. A devoted global effort in develop-ing Cu cavity structures coated with Nb3Sn would make the ILC or Higgs factories more afforda-ble and more likely to be built. Not only do parallel-feed RF structures enable both higher ac-celerating gradients and higher efficiencies, but they would be applicable to both Cu and Nb3Sn coated Cu cells. Increased effort on these two techniques would synergize expenditures to-wards progress, which will converge on the choice of technology for the RF of an ILC or any fu-ture accelerator. The current methods of Nb3Sn coatings on Cu or bronze can be geared also towards standard cavity cells. In conclusion, the use of distributed coupling structure topology within improved performance parameters together with Nb3Sn coating technology can lead to a paradigm shift for superconducting linacs, with higher gradient, higher temperature of opera-tion, and reduced overall costs for any future collider.

43 PARTICLE ACCELERATORS↗

DOE OSTI2023

Oxide– and Silicate–Water Interfaces and Their Roles in Technology and the Environment

Interfacial reactions drive all elemental cycling on Earth and play pivotal roles in human activities such as agriculture, water purification, energy production and storage, environmental contaminant remediation, and nuclear waste repository management. The onset of the 21st century marked the beginning of a more detailed understanding of mineral aqueous interfaces enabled by advances in techniques that use tunable high-flux focused ultrafast laser and X-ray sources to provide near-atomic measurement resolution, as well as by nanofabrication approaches that enable transmission electron microscopy in a liquid cell. This leap into atomic- and nanometer-scale measurements has uncovered scale-dependent phenomena whose reaction thermodynamics, kinetics, and pathways deviate from previous observations made on larger systems. A second key advance is new experimental evidence for what scientists hypothesized but could not test previously, namely, interfacial chemical reactions are frequently driven by “anomalies” or “non-idealities” such as defects, nanoconfinement, and other nontypical chemical structures. Third, progress in computational chemistry has yielded new insights that allow a move beyond simple schematics, leading to a molecular model of these complex interfaces. In combination with surface-sensitive measurements, we have gained knowledge of the interfacial structure and dynamics, including the underlying solid surface and the immediately adjacent water and aqueous ions, enabling a better definition of what constitutes the oxide– and silicate–water interfaces. This critical review discusses how science progresses from understanding ideal solid–water interfaces to more realistic systems, focusing on accomplishments in the last 20 years and identifying challenges and future opportunities for the community to address. Further, we anticipate that the next 20 years will focus on understanding and predicting dynamic transient and reactive structures over greater spatial and temporal ranges as well as systems of greater structural and chemical complexity. Closer collaborations of theoretical and experimental experts across disciplines will continue to be critical to achieving this great aspiration.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗

DOE OSTI2026

Advancing Porous Carbons: Understanding the Importance of Surface Chemistry for the Energy–Environment Nexus

This review intends, in a critical way, the comprehensive view of the importance of porous carbons surface chemistry for their applications in an energy− environment nexus. Surface chemistry is presented as a combination of functional heteroatom-containing groups, dopants, and structural defects. First, we briefly address carbon surface chemical environment and the methods of its modification and characterization, indicating their practical limitations. Then, the effects of surface chemistry on separation, catalysis, energy storage, sensing and microwave absorption are introduced. Besides a critical analysis of published findings on these topics, we also include our views on the advancement in the processes which rely on porous carbons surface chemistry, and identify strategic areas and directions that should deserve further attention. We focus on new findings and important original contributions to the field. Since the community of carbon researchers grows following the strategic application of these materials, the role of functional groups, dopants and structural defects in various cutting-edge applications is emphasized, showing the progress in the field and the evolution of findings. A clear determination of the effects of carbon surface is often a challenge since carbons porosity and the locations of specific bonds/sites/ defects in the carbon texture provide nanoconfinement effects.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗

DOE OSTI2022

Expanding the Solar Workforce through the Illinois Community College System

The Illinois Green Economy Network (IGEN) is a consortium of all 39 Illinois community college districts working to grow the green economy in the state. The network aims to build capacity in sustainability and transform education by connecting business/industry and educators to resources, curating information and tools, cultivating partnerships, and advocating for change. Led by IGEN, the goal of the “Expanding the Solar Workforce through the Illinois Community College System” project was to create and sustain a comprehensive, statewide strategy that equips education and training providers, workers, businesses, and communities with resources and tools to prepare a solar workforce. A cohort of five Illinois community colleges participated in the program based on their capacity and interest, as well as their potential for and proximity to industry growth in the state: City Colleges of Chicago, John A. Logan College, Kankakee Community College, Lewis and Clark Community College, and Lincoln Land Community College. The project had three Objectives, 1) Address an unmet need by increasing the pool of skilled solar workers, 2) Keep pace with evolving needs of the solar workforce by improving programs to be more accessible and industry-driven, 3) Strengthen IGEN’s capacity as a statewide resource for solar education, training, and workforce initiatives. Overall, over 400 students were trained in solar installation practices, with over 40 businesses engaged. Additionally. the project spurred a number of innovations and the development of effective practices related to establishing and maintaining a solar installation program at a community college. This project sought to identify effective and scalable practices for developing a solar installation program which included the following components: enrolling students into aligned programs; developing curriculum and courses which meet industry needs; placing students in solar installation or related employment; and sustaining programming past grant funding. Through this project- IGEN was able to identify critical components of a solar installation program. Detailed further in this report these components describe 1) Necessary conditions for establishing a solar installation program, 2) Program structures use cases for different contexts, 3) Effective practices related to student pipeline development and program throughout. As a result of this project- all five participating community colleges have expressed support for continuing to offer solar installation training to their students. Additionally, three nonparticipating colleges in IGEN have expressed interest in adopting practice, courses, or curriculum developed through this program. IGEN has also committed to making the curriculum, course structure and other materials available on their website for accelerated adoption of effective practices both state and nationwide.

14 SOLAR ENERGY↗

DOE OSTI2022

Bacterial Community Assembly, Succession, and Metabolic Function during Outdoor Cultivation of Microchloropsis salina

Outdoor cultivation of microalgae has promising potential for renewable bioenergy, but there is a knowledge gap on the structure and function of the algal microbiome that coinhabits these ecosystems. Here, we describe the assembly mechanisms, taxonomic structure, and metabolic potential of bacteria associated with Microchloropsis salina cultivated outdoors. Open mesocosms were inoculated with algal cultures that were either free of bacteria or coincubated with one of two different strains of alga-associated bacteria and were sampled across five time points taken over multiple harvesting rounds of a 40-day experiment. Using quantitative analyses of metagenome-assembled genomes (MAGs), we tracked bacterial community compositional abundance and taxon-specific functional capacity involved in algal-bacterial interactions. One of the inoculated bacteria (Alteromonas sp.) persisted and dispersed across mesocosms, whereas the other inoculated strain (Phaeobacter gallaeciensis) disappeared by day 17 while a taxonomically similar but functionally distinct Phaeobacter strain became established. The inoculated strains were less abundant than 6 numerically dominant newly recruited taxa with functional capacities for mutualistic or saprophytic lifestyles, suggesting a generalist approach to persistence. This includes a highly abundant unclassified Rhodobacteraceae species that fluctuated between 25% and 77% of the total community. Overall, we did not find evidence for priority effects exerted by the distinct inoculum conditions; all mesocosms converged with similar microbial community compositions by the end of the experiment. Instead, we infer that the 15 total populations were retained due to host selection, as they showed high metabolic potential for algal-bacterial interactions such as recycling alga-produced carbon and nitrogen and production of vitamins and secondary metabolites associated with algal growth and senescence, including B vitamins, tropodithietic acid, and roseobacticides.

rhodobacteraceae↗

DOE OSTI2025

Mechanical properties and strengthening mechanisms of cold sprayed Al-Mg alloys

This paper investigates the mechanical properties and strengthening mechanisms of cold sprayed Al-Mg alloys as a function of Mg content. Cold spray (CS) is a solid-state deposition process that can be used as a repair technique for structural components. However, the limited ductility of cold sprayed materials is an unsettled issue in CS community. Herein, reproducible, and significantly increased elongation to failure (∼15%) in as-deposited conditions is reported in CS Al-Mg binary alloys with low Mg content (≤ 2.5 wt%). Furthermore, reducing Mg content down to 2.5 wt% in CS Al-Mg binary alloys demonstrated comparable mechanical strength to its wrought counterparts. Strengthening mechanisms were analyzed in wrought and CS Al-Mg alloys based upon microstructural characteristics, such as grain size, Mg solute concentration, and dislocation density. A quantitative evaluation of yield strength revealed that grain boundary strengthening is predominant in CS Al-Mg alloys as compared with their wrought counterparts. When comparing among CS Al-Mg binary alloys of different compositions, Mg solute concentration, and dislocation density governed mechanical strength. In conclusion, the underlying mechanism for the variation of mechanical properties and strengthening mechanisms is discussed in terms of these microstructural characteristics.

Additive manufacturing↗

DOE OSTI2024

Reference-free structural variant detection in microbiomes via long-read co-assembly graphs

Motivation: The study of bacterial genome dynamics is vital for understanding the mechanisms underlying microbial adaptation, growth, and their impact on host phenotype. Structural variants (SVs), genomic alterations of 50 base pairs or more, play a pivotal role in driving evolutionary processes and maintaining genomic heterogeneity within bacterial populations. While SV detection in isolate genomes is relatively straightforward, metagenomes present broader challenges due to the absence of clear reference genomes and the presence of mixed strains. In response, our proposed method rhea, forgoes reference genomes and metagenome-assembled genomes (MAGs) by encompassing all metagenomic samples in a series (time or other metric) into a single co-assembly graph. The log fold change in graph coverage between successive samples is then calculated to call SVs that are thriving or declining. Results: We show rhea to outperform existing methods for SV and horizontal gene transfer (HGT) detection in two simulated mock metagenomes, particularly as the simulated reads diverge from reference genomes and an increase in strain diversity is incorporated. We additionally demonstrate use cases for rhea on series metagenomic data of environmental and fermented food microbiomes to detect specific sequence alterations between successive time and temperature samples, suggesting host advantage. Our approach leverages previous work in assembly graph structural and coverage patterns to provide versatility in studying SVs across diverse and poorly characterized microbial communities for more comprehensive insights into microbial gene flux.

59 BASIC BIOLOGICAL SCIENCES↗

DOE OSTI2024

Screening Tool for Equitable Adoption and Deployment of Solar (STEADy Solar)

The Screening Tool for Equitable Adoption and DeploYment of Solar (STEADy Solar) is a database and mapping tool designed to promoting clean energy investments for low-income communities across the United States. The tool indicates locations that may be eligible for the Investment Tax Credit bonus adders defined in the 2022 Inflation Reduction Act (IRA) and combines this information with demographics, social vulnerability, solar technical potential, solar economics (modeled net present value), and building counts by use-type. It can be used by states, municipalities, community-based organizations, developers, and researchers to identify sites where solar projects may be economical and where federal incentives may be available to support equitable adoption of solar. Specific values include: Areas eligible for the Energy Communities Tax Credit Bonus Program (including brownfield site counts) Areas eligible for the Low Income Communities Bonus Credit Program (including Tribal Lands, and covered affordable housing project counts) Areas categorized as disadvantaged by Justice40 Commercial and Residential Solar economics characterized by the Net Present Value and Simple Payback Period Total Population, Race, and Ethnicity Median Household Income, Poverty rate, Household Tenure Social Vulnerability Count of buildings, developable rooftop solar capacity (in kWdc) and estimated annual generation potential (in kWh) on four building types: Government General Services, Government Emergency Response, Grade Schools, and Colleges/Universities. The linked report describes the STEADy dataset metadata and presents high level insights from the data. The downloadable and formatted excel dataset makes it easy for users to gain insights for their locations. Supporting .csv and shapefiles provide users with the full data to run their own analyses on equitable solar siting.

14 SOLAR ENERGY↗

DOE OSTI2022

Strain-retardant coherent perovskite phase stabilized Ni-rich cathode

The use of state-of-the-art Ni-rich layered oxides (LiNi x Co y Mn 1-x-y O 2 , x > 0.5) as the cathode material for lithium-ion batteries can push the energy and power density to a higher level than is currently available. However, volume variation associated with anisotropic lattice strain and stress that is being developed during lithium (de) intercalation induces severe structural instability and electrochemical decay of the cathode materials, which is amplified further when the battery is operating at a high voltage (above 4.5 V), which is essential for unlocking its high energy. Even after much effort by the research community, an intrinsic strain-retardant method for directly alleviating the continuous accumulation of lattice strain remains elusive. By introducing a coherent perovskite phase into the layered structure functioning as a ‘rivet’, we significantly mitigate the pernicious structural evolutions by a pinning effect. The lattice strain evolution in every single cycle is markedly reduced by nearly 70% when compared with conventional materials, which significantly enhances morphological integrity leading to a notable improvement in battery cyclability. This strain-retardant approach broadens the perspective for lattice engineering to release the strain raised from lithium (de)intercalation and paves the way for the development of high-energy-density cathodes with long durability.

25 ENERGY STORAGE↗

DOE OSTI2021

Metagenomic insights into the taxonomy, function, and dysbiosis of prokaryotic communities in octocorals

Background. In octocorals (Cnidaria Octocorallia), the functional relationship between host health and its symbiotic consortium has yet to be determined. Here, we employed comparative metagenomics to uncover the distinct functional and phylogenetic features of the microbiomes of healthy Eunicella gazella, Eunicella verrucosa, and Leptogorgia sarmentosa tissues, in contrast with the microbiomes found in seawater and sediments. We further explored how the octocoral microbiome shifts to a pathobiome state in E. gazella. Results. Multivariate analyses based on 16S rRNA genes, Clusters of Orthologous Groups of proteins (COGs), Protein families (Pfams), and secondary metabolite-biosynthetic gene clusters annotated from 20 Illumina-sequenced metagenomes each revealed separate clustering of the prokaryotic communities of healthy tissue samples of the three octocoral species from those of necrotic E. gazella tissue and surrounding environments. While the healthy octocoral microbiome was distinguished by so-far uncultivated Endozoicomonadaceae, Oceanospirillales, and Alteromonadales phylotypes in all host species, a pronounced increase of Flavobacteriaceae and Alphaproteobacteria, originating from seawater, was observed in necrotic E. gazella tissue. Increased abundances of eukaryotic-like proteins, exonucleases, restriction endonucleases, CRISPR/Cas proteins, and genes encoding for heat-shock proteins, inorganic ion transport, and iron storage distinguished the prokaryotic communities of healthy octocoral tissue regardless of the host species. An increase of arginase and nitric oxide reductase genes, observed in necrotic E. gazella tissues, suggests the existence of a mechanism for suppression of nitrite oxide production by which octocoral pathogens may overcome the host’s immune system. Conclusions. This is the first study to employ primer-less, shotgun metagenome sequencing to unveil the taxonomic, functional, and secondary metabolism features of prokaryotic communities in octocorals. Our analyses reveal that the octocoral microbiome is distinct from those of the environmental surroundings, is host genus (but not species) specific, and undergoes large, complex structural changes in the transition to the dysbiotic state. Host-symbiont recognition, abiotic-stress response, micronutrient acquisition, and an antiviral defense arsenal comprising multiple restriction endonucleases, CRISPR/Cas systems, and phage lysogenization regulators are signatures of prokaryotic communities in octocorals. We argue that these features collectively contribute to the stabilization of symbiosis in the octocoral holobiont and constitute beneficial traits that can guide future studies on coral reef conservation and microbiome therapy.

59 BASIC BIOLOGICAL SCIENCES↗

DOE OSTI2025

Breeding of microbiomes conferring salt tolerance to plants

Microbiome breeding through host-mediated selection is a technique to artificially select for microbiomes conferring beneficial properties to plants. Using a systematic selection protocol that maximises the heritability of microbiome effects, transmission fidelity, and microbiome stability through multiple selection cycles, we previously developed root-associated microbial communities conferring sodium and aluminium tolerance to Brachypodium distachyon, a model for cereal crops. Here, we explore the physiological mechanisms underlying our selected microbiomes’ effect on plant fitness and analyse how our selection protocol shaped the composition and structure of these microbiomes. We analysed the effects of our selected microbiomes on plant fitness and tissue-nutrient concentration, then used 16S rRNA amplicon sequencing to examine microbial community composition and co-occurrence network patterns. Our sodium-selected microbiomes reduced leaf sodium concentration by ~ 50%, whereas the aluminium-selected microbiomes had no effect on leaf-tissue nutrient concentration, suggesting different mechanisms underlying the microbiome-mediated stress tolerance. By testing the selected microbiomes in a cross-fostering experiment, we show that our artificially selected microbiomes attained (a) ecological robustness contributing to transplantability (i.e. inheritance) of microbiome-encoded effects between plants; and (b) network features identifying key bacteria promoting salt-stress tolerance. Combined, these findings elucidate critical mechanisms underlying host-mediated artificial selection as a framework to breed microbiomes with targeted benefits for plants under salt stresses, with significant implications for sustainable agriculture.

59 BASIC BIOLOGICAL SCIENCES↗

DOE OSTI2022

The Anthropology of Aquaculture

Aquaculture is nothing new. It has a long, fascinating history that stretches from antiquity at least 8,000 years ago. What is new is the evolution of aquaculture in modern times into highly intensive monocultures which arose in the 1970–1980's. Modern aquaculture production has grown worldwide but remains concentrated in Asia due to the: (1) increased demands for aquatic foods as explosive population growth occurred in coastal cities with increasing affluence, (2) expansion of scientific and engineering breakthroughs, (3) high export values of aquatic foods, and (4) sharp decline of costs of global to local transport/shipping. The pioneering anthropologist Claude Levi-Strauss brought the idea of “structuralism” to anthropology: the concept that societies throughout history followed universal patterns of behavior. A qualitative document analysis of the key anthropological literature to assess aquaculture developments from antiquity to the beginning of the modern era was conducted to evaluate if there was adequate evidence to support a theory of anthropological “structuralism” for aquaculture in human history. Seven case studies of the cultural/environmental history of aquaculture were reviewed in diverse parts of the world (China, Australia, Egypt, Europe, South America, Canada/USA, Hawai'i). Analysis supports the structural theory that whenever the demands of aquatic/seafood-eating peoples exceeded the abilities of their indigenous fishery ecosystems to provide for them, they developed aquaculture. Modern aquaculture concepts and new communities of practice in “restoration aquaculture” have beginnings in Indigenous anthropology and archeology in aquaculture and point the way for Indigenous nations to engage as leaders of the United Nations Food and Agriculture Organization (FAO) ecosystem approach to aquaculture worldwide. Bringing ancient knowledge of Indigenous aquaculture into the modern context is an essential part of an alternative, “radical transformation” of modern aquaculture. There is an urgent need to develop and promote locally designed and culturally appropriate aquaculture systems that fit into the livelihoods of communities as part of a larger, diverse portfolio of food security.

54 ENVIRONMENTAL SCIENCES↗

DOE OSTI2025

Increased flood exposure in the Pacific Northwest following earthquake-driven subsidence and sea-level rise

Climate-driven sea-level rise is increasing the frequency of coastal flooding worldwide, exacerbated locally by factors like land subsidence from groundwater and resource extraction. However, a process rarely considered in future sea-level rise scenarios is sudden (over minutes) land subsidence associated with great (>M8) earthquakes, which can exceed 1 m. Along the Washington, Oregon, and northern California coasts, the next great Cascadia subduction zone earthquake could cause up to 2 m of sudden coastal subsidence, dramatically raising sea level, expanding floodplains, and increasing the flood risk to local communities. Here, we quantify the potential expansion of the 1% floodplain (i.e., the area with an annual flood risk of 1%) under low (~0.5 m), medium (~1 m), and high (~2 m) earthquake-driven subsidence scenarios at 24 Cascadia estuaries. If a great earthquake occurred today, floodplains could expand by 90 km 2 (low), 160 km 2 (medium), or 300 km 2 (high subsidence), more than doubling the flooding exposure of residents, structures, and roads under the high subsidence scenario. By 2100, when climate-driven sea-level rise will compound the hazard, a great earthquake could expand floodplains by 170 km 2 (low), 240 km 2 (medium), or 370 km 2 (high subsidence), more than tripling the flooding exposure of residents, structures, and roads under the high subsidence scenario compared to the 2023 floodplain. Our findings can support decision-makers and coastal communities along the Cascadia subduction zone as they prepare for compound hazards from the earthquake cycle and climate-driven sea-level rise and provide critical insights for tectonically active coastlines globally.

Science & Technology - Other Topics↗

DOE OSTI2024

Halting Oxygen Evolution to Achieve Long Cycle Life in Sodium Layered Cathodes

Oxygen redox chemistries at high voltage have materialized as a revolutionary paradigm for cathodes with high-energy density; however, they are plagued by the challenges of labile oxygen loss and rapid degradations upon cycling, even after concerted endeavors from the research community. Here we propose a multi-concentration stratagem propelled by entropy reinforcement to enhance the electronic structure disorder (ESD) at high desodiation states for impeding undesired oxygen mobility and ensuring controlled oxygen activity, elucidated by density functional theory calculations. The increased disorder strengthens the reversible electrochemistry of lattice oxygen redox, leading to effectively suppressed P−O structural evolution and highly stable localized TMO 6 octahedral environments, as demonstrated by soft/hard X-ray absorption spectroscopy. Furthermore, through a comparative analysis of sodium-layered cathodes with different configuration entropy, we reveal that a high-entropy state induced by cationic disordering has the capacity to perturb cationic redox boundaries, significantly restraining the formation of detrimental O′3 phases. As a consequence, the high-voltage cycling stability has been greatly upgraded, up to 4.4 V versus Na + /Na, with an impressive 90.1 % capacity retention at 1 C over 100 cycles and 76.1 % capacity retention at 2 C over 300 cycles. In conclusion, the resilient oxygen redox, enabled through the control of ESD, broadens the horizons for entropy engineering and lays the foundation for advancements in high-energy, long-cycling, and safe batteries.

25 ENERGY STORAGE↗

DOE OSTI2025

The microbiologist's guide to metaproteomics

Metaproteomics is an emerging approach for studying microbiomes, offering the ability to characterize proteins that underpin microbial functionality within diverse ecosystems. As the primary catalytic and structural components of microbiomes, proteins provide unique insights into the active processes and ecological roles of microbial communities. By integrating metaproteomics with other omics disciplines, researchers can gain a comprehensive understanding of microbial ecology, interactions, and functional dynamics. This review, developed by the Metaproteomics Initiative (www.metaproteomics.org), serves as a practical guide for both microbiome and proteomics researchers, presenting key principles, state-of-the-art methodologies, and analytical workflows essential to metaproteomics. Topics covered include experimental design, sample preparation, mass spectrometry techniques, data analysis strategies, and statistical approaches.

bioinformatics↗

DOE OSTI2022

The living interface between synthetic biology and biomaterial design

Recent far-reaching advances in synthetic biology have yielded exciting tools for the creation of new materials. Conversely, advances in the fundamental understanding of soft-condensed matter, polymers and biomaterials offer new avenues to extend the reach of synthetic biology. The broad and exciting range of possible applications have substantial implications to address grand challenges in health, biotechnology and sustainability. Despite the potentially transformative impact that lies at the interface of synthetic biology and biomaterials, the two fields have, so far, progressed mostly separately. This Perspective provides a review of recent key advances in these two fields, and a roadmap for collaboration at the interface between the two communities. Here we highlight the near-term applications of this interface to the development of hierarchically structured biomaterials, from bioinspired building blocks to 'living' materials that sense and respond based on the reciprocal interactions between materials and embedded cells.

59 BASIC BIOLOGICAL SCIENCES↗

DOE OSTI2021

User Role Identification in Software Vulnerability Discussions over Social Networks

Understanding and early awareness of software vulnerabilities is vital for preventing and mitigating potential impacts from cybersecurity events. One step toward early characterization of software vulnerabilities may involve analyzing discussion and spread of information in online social networks. Prior work has used information from such discussions over multiple online forums to develop dynamic networks among users followed by analysis of structure, spread, and information evolution. In this work, we advance the state-of-the-art by focusing on data-driven learning of types, roles, and transition of roles exhibited by users over time. In social networks, users take on particular roles based on their actions and structure of the network. Identifying “meaningful” roles can help separate potential users of interest from the larger community, and identify patterns in a network. We will identify and compare roles found in online forums (e.g., Twitter) using techniques such as feature-based Non-negative Matrix Factorization coupled with topological and influence-based measures of centrality. Since users’ activities change over time, we also analyze role evolution in dynamic networks.

Jones, Rebecca D.↗