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DOE OSTI2019

Metabolomic Insights into Human Arboviral Infections: Dengue, Chikungunya, and Zika Viruses

The global burden of arboviral diseases and the limited success in controlling them calls for innovative methods to understand arbovirus infections. Metabolomics has been applied to detect alterations in host physiology during infection. This approach relies on mass spectrometry or nuclear magnetic resonance spectroscopy to evaluate how perturbations in biological systems alter metabolic pathways, allowing for differentiation of closely related conditions. Because viruses heavily depend on host resources and pathways, they present unique challenges for characterizing metabolic changes. Here, we review the literature on metabolomics of arboviruses and focus on the interpretation of identified molecular features. Metabolomics has revealed biomarkers that differentiate disease states and outcomes, and has shown similarities in metabolic alterations caused by different viruses (e.g., lipid metabolism). Researchers investigating such metabolomic alterations aim to better understand host–virus dynamics, identify diagnostically useful molecular features, discern perturbed pathways for therapeutics, and guide further biochemical research. This review focuses on lessons derived from metabolomics studies on samples from arbovirus-infected humans.

Byers, Nathaniel M.↗

DOE OSTI2017

A NOVEL TOOL FOR IMPROVING THE DATA COLLECTION PROCESS DURING CONTROL ROOM MODERNIZATION HUMAN-SYSTEM INTERFACE TESTING AND EVALUATION ACTIVITIES

The U.S. Department of Energy (DOE) Light Water Reactor Sustainability (LWRS) Program is developing a scientific basis to extend the existing U.S. nuclear power plant (NPP) operating life beyond the current 60-year licensing period and to ensure NPP long-term reliability, productivity, safety, and security. Under the Advanced Instrumentation, Information, and Control (II&C) Systems Technologies pathway, the LWRS Program conducts targeted research and development to address long-term aging and obsolescence of existing instrumentation and control technologies, as well as to implement and test new digital II&C technology that enables broad innovation and business improvement in the NPP operating model. To this end, the role of human factors engineering (HFE) is important as part of ensuring that the control room modernization (CRM) activities account for the operator’s cognitive and physiological characteristics. Part of the HFE process for CRM entails conducting tests and evaluations (T&Es) that will inform the design of new human-system interface (HSI) technologies. Qualitative data that captures operator feedback and important human-system interactions are an important part of T&E. However, the analyzing this qualitative data in order to provide actionable design recommendations can be time-consuming and error prone. This paper presents an early version of a tool that can be used to analyze this qualitative data to (1) sift through freeform text for improved design issue identification, (2) maintain consistency in theme coding conventions, and (3) readily provide actionable design guidance that can be traceable to state-of-the-art HFE guidelines such as NUREG-0700. A description of this tool is discussed next.

99 GENERAL AND MISCELLANEOUS↗

DOE OSTI2024

Tractometry of the Human Connectome Project: resources and insights

The Human Connectome Project (HCP) has become a keystone dataset in human neuroscience, with a plethora of important applications in advancing brain imaging methods and an understanding of the human brain. We focused on tractometry of HCP diffusion-weighted MRI (dMRI) data. We used an open-source software library (pyAFQ; https://yeatmanlab.github.io/pyAFQ) to perform probabilistic tractography and delineate the major white matter pathways in the HCP subjects that have a complete dMRI acquisition (n = 1,041). We used diffusion kurtosis imaging (DKI) to model white matter microstructure in each voxel of the white matter, and extracted tract profiles of DKI-derived tissue properties along the length of the tracts. We explored the empirical properties of the data: first, we assessed the heritability of DKI tissue properties using the known genetic linkage of the large number of twin pairs sampled in HCP. Second, we tested the ability of tractometry to serve as the basis for predictive models of individual characteristics (e.g., age, crystallized/fluid intelligence, reading ability, etc.), compared to local connectome features. To facilitate the exploration of the dataset we created a new web-based visualization tool and use this tool to visualize the data in the HCP tractometry dataset. Finally, we used the HCP dataset as a test-bed for a new technological innovation: the TRX file-format for representation of dMRI-based streamlines. We released the processing outputs and tract profiles as a publicly available data resource through the AWS Open Data program's Open Neurodata repository. We found heritability as high as 0.9 for DKI-based metrics in some brain pathways. We also found that tractometry extracts as much useful information about individual differences as the local connectome method. We released a new web-based visualization tool for tractometry—“Tractoscope” (https://nrdg.github.io/tractoscope). We found that the TRX files require considerably less disk space-a crucial attribute for large datasets like HCP. In addition, TRX incorporates a specification for grouping streamlines, further simplifying tractometry analysis.

59 BASIC BIOLOGICAL SCIENCES↗

DOE OSTI2025

Cement and concrete as carbon sinks: Transforming a climate challenge into a carbon storage opportunity

Cement and concrete, while traditionally recognized as the main contributors to anthropogenic CO 2 emissions, also have untapped capacity to serve as substantial and scalable carbon sinks. This perspective examines how engineered mineral carbonation can transform cement-based materials into functional carbon storage systems, generating both environmental and economic value. We review the fundamental mechanisms of CO 2 uptake in cementitious systems, highlighting current limitations in reaction kinetics, phase control, and durability under varying environmental conditions. Emphasis is placed on the utilization of alkaline industrial residues and emerging magnesium-based cements, which offer synergistic pathways for carbon sequestration and circular resource use. We further assess the performance trade-offs associated with CO 2 uptake and the feasibility of deploying these technologies on industrial scales. A strategic roadmap is proposed that integrates scientific innovation, regulatory alignment, and carbon accounting in the life cycle to accelerate the adoption of carbon-storing concrete. This perspective provides a comprehensive framework to advance cement and concrete as engineered carbon sinks and supports the transition to a climate-positive construction industry.

Carbon storage↗

DOE OSTI2018

Nanostructured Metal Hydrides for Hydrogen Storage

Knowledge and foundational understanding of phenomena associated with the behavior of materials at the nanoscale is one of the key scientific challenges toward a sustainable energy future. Size reduction from bulk to the nanoscale leads to a variety of exciting and anomalous phenomena due to enhanced surface-to-volume ratio, reduced transport length, and tunable nanointerfaces. Nanostructured metal hydrides are an important class of materials with significant potential for energy storage applications. Hydrogen storage in nanoscale metal hydrides has been recognized as a potentially transformative technology, and the field is now growing steadily due to the ability to tune the material properties more independently and drastically compared to those of their bulk counterparts. The numerous advantages of nanostructured metal hydrides compared to bulk include improved reversibility, altered heats of hydrogen absorption/desorption, nanointerfacial reaction pathways with faster rates, and new surface states capable of activating chemical bonds. This review aims to summarize the progress to date in the area of nanostructured metal hydrides and intends to understand and explain the underpinnings of the innovative concepts and strategies developed over the past decade to tune the thermodynamics and kinetics of hydrogen storage reactions. Furthermore, these recent achievements have the potential to propel further the prospects of tuning the hydride properties at nanoscale, with several promising directions and strategies that could lead to the next generation of solid-state materials for hydrogen storage applications.

08 HYDROGEN↗

DOE OSTI2015

Nevada National Security Site Site-Directed Research and Development FY 2014 Annual Report

The reports contained herein are for project activities that occurred from October 2013 through September 2014. Project life cycle is indicated under the title as well as the original proposal number (in the following format: site abbreviation--ID #--originating fiscal year; e.g., STL-03-14). Each of the reports describes in detail the discoveries, achievements, and challenges encountered by our principal investigators. As SDRD, by definition, invests in “high-risk” and hopefully “high-payoff” research, the element of uncertainty is inherent. While many of our efforts are “successful” and result in positive outcomes or technology utilization, some fall short of expectations, but cannot be construed as “failure” in the negative sense. The latter is a natural and valid part of the process of advanced research and often leads to unforeseen new pathways to future discovery. Regardless, either result advances our knowledge base and increases our ability to identify solutions and/or avoid costly and unwarranted paths for future challenges. In summary, the SDRD program continues to provide an unfettered mechanism for innovation that returns multifold to our customers, to national security, and to the general public. The program is a vibrant R&D innovation engine, benefited by its discretionary pedigree, enhanced mission spectrum, committed resources, and sound competitiveness to yield maximum taxpayer benefit. The 25 projects described exemplify the creativity and ability of a diverse scientific and engineering talent base. The efforts also showcase an impressive capability and resource that can be brought to find solutions to a broad array of technology needs and applications relevant to the NNSS mission and national security. Further SDRD performance metrics can be found in the appendix at the end of this report.

36 MATERIALS SCIENCE↗

DOE OSTI2017

A novel tool for improving the data collection process during control room modernization human-system interface testing and evaluation activities - 271

The U.S. Department of Energy (DOE) Light Water Reactor Sustainability (LWRS) Program is developing a scientific basis to extend the existing U.S. nuclear power plant (NPP) operating life beyond the current 60-year licensing period and to ensure NPP long-term reliability, productivity, safety, and security. Under the Advanced Instrumentation, Information, and Control (II and C) Systems Technologies pathway, the LWRS Program conducts targeted research and development to address long-term aging and obsolescence of existing instrumentation and control technologies, as well as to implement and test new digital II and C technology that enables broad innovation and business improvement in the NPP operating model. To this end, the role of human factors engineering (HFE) is important as part of ensuring that the control room modernization (CRM) activities account for the operator's cognitive and physiological characteristics. Part of the HFE process for CRM entails conducting tests and evaluations (T and Es) that will inform the design of new human-system interface (HSI) technologies. Qualitative data that captures operator feedback and important human-system interactions are an important part of T and E. However, the analyzing this qualitative data in order to provide actionable design recommendations can be time-consuming and error prone. This paper presents an early version of a tool, which uses a combination of natural language processing and supervised machine learning to support the analysis of qualitative data. The objectives of this tool is to improve the process of (1) sifting through freeform text for improved design issue identification, (2) maintaining consistency in theme coding conventions, and (3) readily providing actionable design guidance that can be traceable to state-of-the-art HFE guidelines such as NUREG-0700. (authors)

22 GENERAL STUDIES OF NUCLEAR REACTORS↗

DOE OSTI2025

The developments in modifying functionality of lignin and its application in biocomposites

With the advancement of sustainable material innovations, renewable natural biopolymers are gradually replacing traditional metal and petroleum-based synthetic materials due to their environmental friendliness, biodegradability, and economic advantages. Lignin, the second most abundant natural aromatic polymer in the plant kingdom, has emerged as a key candidate raw material for the development of green polymer systems because of its unique phenylpropane unit network structure, high carbon content, and rich functional group characteristics. However, challenges such as the inherent structural complexity, chemical inertness, and uneven molecular weight distribution of lignin limit its direct application. By employing modification strategies such as chemical functionalization and physical regulation, researchers can precisely control its reactivity, thermal stability, and interfacial compatibility, enabling the preparation of high-performance lignin-based functional composites. Here, this paper systematically reviews the principles and methodological advancements in lignin's multi-dimensional modification technology. It analyzes the mechanisms by which various chemical and physical modification techniques enhance the mechanical properties, functional responsiveness, and environmental adaptability of materials, and discusses innovative applications in fields such as intelligent packaging, biomedical materials, and energy storage devices. Furthermore, this review addresses the key challenges encountered in the high-value transformation of lignin, with the aim of offering a theoretical framework and technical pathway for the transformative development of lignin from agricultural and forestry by-products to functional material platforms.

Functional composites↗

DOE OSTI2019

Coupling biology to synthetic nanomaterials for semi-artificial photosynthesis

Biohybrid artificial photosynthesis intends to combine the advantages of biological specificity with a range of synthetic nanomaterials to create innovative semi-synthetic systems for solar-to-chemical conversion. Biological systems utilize highly efficient molecular catalysts for reduction-oxidation reactions. They can operate with minimal overpotentials while selectively channeling reductant energy into specific transformation chemistries and product forming pathways. Nanomaterials can be synthesized to have efficient light-absorption capacity and tuneability of charge separation by manipulation of surface chemistries and bulk compositions. These complementary aspects have been combined in a variety of ways, for example, where biological light-harvesting complexes function as antenna for nanoparticle catalysts or where nanoparticles function as light capture, charge separation components for coupling to chemical conversion by redox enzymes and whole cells. The synthetic diversity that is possible with biohybrids is still being explored. The progress emerging from creative approaches is generating new model systems to inspire scale-up technologies and generate understanding of the fundamental mechanisms that control energy conversion at the molecular scale. These attempts are leading to discoveries of essential design principles that can enable the development of scalable artificial photosynthesis systems.

09 BIOMASS FUELS↗

DOE OSTI2026

ASU’s DAC polymer-enhanced cyanobacterial bioproductivity (AUDACity)

ASU’s DAC polymer-enhanced cyanobacterial bioproductivity (AUDACity) project aims to demonstrate a novel, scalable method for removing carbon dioxide (CO 2 ) directly from ambient air and delivering it to cyanobacterial cultures to produce commodity biofuel, mid-value protein for supplements, and high value phycocyanin (PC), a natural blue colorant (Figure A). This approach uses low-cost, reusable anion exchange polymers embedded in modular mesh packets, which capture CO 2 during drying cycles when exposed to ambient air, and release concentrated CO 2 into aqueous cultivation systems. The project addresses a critical challenge in energy research needed for developing sustainable, economically viable methods of Direct Air Capture (DAC) that can be integrated with bio-based systems for fuel and chemical production. AUDACity contributes to scientific understanding by integrating materials chemistry, cyanobacterial biology, and system engineering to create a distributed CO 2 delivery platform. Key insights have emerged around the design of biocompatible sorbents, optimization of CO 2 capture-release cycles, and durability of packet-based delivery systems under outdoor conditions. Notably, the team has synthesized and tested a range of polymer sorbents, identified mechanisms of material degradation and fouling, and advanced both lab- and pilot-scale cultivation systems to evaluate performance. From a technical and economic standpoint, AUDACity shows promise for achieving cost-effective CO 2 capture and delivery into aqueous media and biofuel production. Preliminary techno-economic analysis (TEA) indicates that the DAC system based on current performance can reach $\$$680/tonne CO 2 delivered into aqueous solution; with reasonable improvements to sorbent lifetime, sorbent capacity, reducing water uptake the approach could reach $\$$66/tonne by avoiding the need for energy-intensive sorbent regeneration and CO 2 compression, making it more feasible for decentralized deployment. With these costs for CO 2 and by extracting and selling high-value PC ($\$$50/kg) and mid-value protein supplement ($\$$6/kg), the remaining biomass can be hydrothermally treated into biofuel for $\$$2.50/gallon, and would support a small first-of-a-kind biorefinery capable of producing 500 barrels per day of biofuel. The project offers meaningful public benefits by advancing carbon removal technologies that are low-energy, modular, and adaptable to non-arable land and brackish water use. It aligns with national goals to develop advanced biotechnology and supports future pathways for bio-based fuels and products. By enabling direct coupling of CO 2 transfer into aqueous medium and biological carbon utilization, AUDACity lays the groundwork for effective algae cultivation without wasteful CO 2 delivery and is a promising and innovative solution for low-carbon fuel and bioproduct generation contributing to a vigorous bioeconomy.

09 BIOMASS FUELS↗

DOE OSTI2024

Maximizing Demand Flexibility with Buildings and FERC 2222

In 2020, the Federal Energy Regulatory Commission (FERC) approved a rule, Order 2222, that requires market operators to create pathways enabling distributed energy resource aggregators (DERAs) to compete in all regional organized wholesale electric markets. The goal is to encourage various forms of distributed energy resources (DERs) to participate in electricity markets in a way that would enhance competition, encourage innovation, and drive down costs for consumers. In this document, we briefly discuss how FERC Order 2222 affects the opportunities for participation in electricity markets for building owners and operators, the role of aggregators, and the involvement of buildings in the electricity market.

demand flexibility↗

DOE OSTI2015

A Redox-Active, Compact Molecule for Cross-Linking Amyloidogenic Peptides into Nontoxic, Off-Pathway Aggregates: In Vitro and In Vivo Efficacy and Molecular Mechanisms

Chemical reagents targeting and controlling amyloidogenic peptides have received much attention for helping identify their roles in the pathogenesis of protein-misfolding disorders. Herein, we report a novel strategy for redirecting amyloidogenic peptides into nontoxic, off-pathway aggregates, which utilizes redox properties of a small molecule (DMPD, N,N-dimethyl-p-phenylenediamine) to trigger covalent adduct formation with the peptide. In addition, for the first time, biochemical, biophysical, and molecular dynamics simulation studies have been performed to demonstrate a mechanistic understanding for such an interaction between a small molecule (DMPD) and amyloid-β (Aβ) and its subsequent anti-amyloidogenic activity, which, upon its transformation, generates ligand–peptide adducts via primary amine-dependent intramolecular cross-linking correlated with structural compaction. Furthermore, in vivo efficacy of DMPD toward amyloid pathology and cognitive impairment was evaluated employing 5xFAD mice of Alzheimer’s disease (AD). Such a small molecule (DMPD) is indicated to noticeably reduce the overall cerebral amyloid load of soluble Aβ forms and amyloid deposits as well as significantly improve cognitive defects in the AD mouse model. Overall, our in vitro and in vivo studies of DMPD toward Aβ with the first molecular-level mechanistic investigations present the feasibility of developing new, innovative approaches that employ redox-active compounds without the structural complexity as next-generation chemical tools for amyloid management.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗

DOE OSTI2018

Pezizomycetes genomes reveal the molecular basis of ectomycorrhizal truffle lifestyle

Tuberaceae is one of the most diverse lineages of symbiotic truffle-forming fungi. To understand the molecular underpinning of the ectomycorrhizal truffle lifestyle, we compared the genomes of Piedmont white truffle (Tuber magnatum), Périgord black truffle (Tuber melanosporum), Burgundy truffle (Tuber aestivum), pig truffle (Choiromyces venosus) and desert truffle (Terfezia boudieri) to saprotrophic Pezizomycetes. Reconstructed gene duplication/loss histories along a time-calibrated phylogeny of Ascomycetes revealed that Tuberaceae-specific traits may be related to a higher gene diversification rate. Genomic features in Tuber species appear to be very similar, with high transposon content, few genes coding lignocellulose-degrading enzymes, a substantial set of lineage-specific fruiting-body-upregulated genes and high expression of genes involved in volatile organic compound metabolism. Developmental and metabolic pathways expressed in ectomycorrhizae and fruiting bodies of T. magnatum and T. melanosporum are unexpectedly very similar, owing to the fact that they diverged ~100 Ma. Volatile organic compounds from pungent truffle odours are not the products of Tuber-specific gene innovations, but rely on the differential expression of an existing gene repertoire. These genomic resources will help to address fundamental questions in the evolution of the truffle lifestyle and the ecology of fungi that have been praised as food delicacies for centuries.

59 BASIC BIOLOGICAL SCIENCES↗

DOE OSTI2024

Abstract for CRADA between NETL and Rivalia Chemical Co

The National Energy Technology Laboratory (NETL) will assist Rivalia Chemical Co (Participant) with system analyses to aid the Participant with setting priorities and securing funding. The Participant is an early-stage startup pioneering new chemical extraction technology to solve two important problems: critical mineral scarcity and coal ash waste management. The U.S. generates coal fly ash from coal combustion for power generation and has amassed over two billion metric tons of ash, which contains valuable rare earth elements. The ash is often stored in unlined ponds and frequently contaminates the local environment. The Participant’s patent-pending process harvests rare earths from ash, then transforms the residual ash for use in green concrete, providing an economic pathway for utilities to empty and remediate the ash ponds. Founder Laura Stoy created the company in July 2022 after developing the core intellectual property during her Ph.D. at the Georgia Institute of Technology. Stoy is currently participating in the Chain Reactions Innovations (CRI) program at the U.S. Department of Energy (DOE) Argonne National Laboratory (ANL) where she will be optimizing the core technology and scaling from bench scale to demonstration scale. The technology has been validated at bench scale (TRL3); the goal is to approach TRL5 by the conclusion of the CRI program and prepare to raise capital investment for a pilot facility. NETL and the Participant will develop an updated technoeconomic analysis (TEA) and identify key sustainability performance parameters to inform ’s research and development priorities and de-risk the technology. NETL will also provide the Participant with guidance to prepare a more detailed life cycle assessment (LCA), and a narrative on the Participant’s product markets. These tools will aid the Participant with the next steps of commercialization.

01 COAL, LIGNITE, AND PEAT↗

NASA NTRS2015

Wearable Health Monitoring Systems

The shrinking size and weight of electronic circuitry has given rise to a new generation of smart clothing that enables biological data to be measured and transmitted. As the variation in the number and type of deployable devices and sensors increases, technology must allow their seamless integration so they can be electrically powered, operated, and recharged over a digital pathway. Nyx Illuminated Clothing Company has developed a lightweight health monitoring system that integrates medical sensors, electrodes, electrical connections, circuits, and a power supply into a single wearable assembly. The system is comfortable, bendable in three dimensions, durable, waterproof, and washable. The innovation will allow astronaut health monitoring in a variety of real-time scenarios, with data stored in digital memory for later use in a medical database. Potential commercial uses are numerous, as the technology enables medical personnel to noninvasively monitor patient vital signs in a multitude of health care settings and applications.

Bell, John↗

DOE OSTI2019

Electric and Conventional Vehicle Performance over Eco-Driving Cycles: Energy Benefits and Component Loss

Battery electric vehicles (BEVs) are expected to be a pathway towards meeting greenhouse and criteria pollutant gas reductions in the current and future transportation sector. However, BEV technologies are still evolving, including efficiency optimization and enhancement. Emerging connected and automated vehicle (CAV) technologies provide an in-depth insight for developing innovative applications and systems to leverage BEV energy efficiency and substantially transform transportation systems. Therefore, we present simulation studies of various BEV types and compare the performance between measured, real-world drive cycles and highly optimized eco-driving cycles that are representative of trajectory modifications using advanced CAV technologies. The investigated vehicles include a compact car and a Class 7 delivery truck. The results demonstrate that eco-driving has a high potential to reduce energy consumption for the BEVs considered. As part of the study, a comprehensive EV powertrain model was developed to account for key EV components and powertrain configurations. The impact of eco-driving was further evaluated for conventional vehicles with characteristics that are comparable to the modeled BEVs.

Gao, Zhiming↗

DOE OSTI2019

Electric and Conventional Vehicle Performance over Eco-Driving Cycles: Energy Benefits and Component Loss

Gao, Zhiming↗

DOE OSTI2020

Microwave-driven heterogeneous catalysis for activation of dinitrogen to ammonia under atmospheric pressure

This paper presents an innovative approach to producing energy-dense, carbon–neutral liquid ammonia as a means for carrying energy. This approach synergistically integrates microwave reaction chemistry with novel heterogeneous catalysis that decouples dinitrogen activation from high-temperature and high-pressure reactions, altering reaction pathways and increasing ammonia formation rate. Results presented here demonstrate that ammonia synthesis can be conducted at 280 ? and ambient pressure to achieve ~1 mmol ammonia/g cat/h over supported ruthenium catalyst systems utilizing microwave irradiation. It is further shown that adding promoter ions such as potassium, cerium, and barium significantly improves the ammonia production rate over undoped ruthenium-based catalysts. This effect could be attributed to enhanced dielectric loss processes that lead to stronger microwave absorption by the catalyst. Measurement of the equilibrium constant under microwave conditions showed a higher ammonia yield than under thermal equilibrium conditions for both the iron- and ruthenium-based catalysts. Finally, this study also illustrates the advantages of using a variable-frequency microwave reactor for ambient-pressure ammonia synthesis. Mechanistically, investigators believed that the oscillating electric fields of the radiation can couple with adsorbed nitrogen on the surface and accelerate its dissociation. Since dinitrogen dissociation on the surface is rate limiting, this effectively accelerates the reaction.

Hu, Jianli (John)↗