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Search indexed NASA NTRS and DOE OSTI research on propulsion, heat transfer, battery materials and energy systems. Follow report and document links to the original sources.

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At least 109 records · Page 6
All sourcesNASA NTRSDOE OSTI
DOE OSTI2021

A KBase Case Study on Genome-wide Transcriptomics and Plant Primary Metabolism in Sorghum

A better understanding of the genetic and metabolic mechanisms that confer stress resistance and tolerance in plants is key to engineering new crops through advanced breeding technologies. This requires a systems biology approach that builds on a genome-wide understanding of the regulation of gene expression, plant metabolism, physiology and growth. In this study, we examine the response to drought stress in Sorghum, as we leverage the tools for transcriptomics and plant metabolic modeling we have implemented at the U.S. Department of Energy Systems Biology Knowledgebase (KBase). KBase enables researchers worldwide to collaborate and advance research by allowing them to upload private or public data into the KBase Narrative Interface, empowering them to analyze this data using a rich, extensible array of computational and data-analytics tools, and allows them to securely share scientific workflows and conclusions. We demonstrate how to use the current RNA-seq tools in KBase, applicable to both plants and microbes, to assemble and quantify long transcripts and identify differentially expressed genes effectively. More specifically, we demonstrate the utility of the platform by identifying key genes that are differentially expressed during drought-stress in Sorghum bicolor, which is an important sustainable production crop plant. We then show how to use KBase tools to predict the membership of genes in metabolic pathways and examine expression data in the context of metabolic subsystems. We demonstrate the power of the platform by making the data analysis and interpretation available to the biologists in the reproducible, re-usable, point-and-click format of a KBase Narrative thus promoting FAIR (Findable, Accessible, Interoperable and Reusable) guiding principles for scientific data management and stewardship.

59 BASIC BIOLOGICAL SCIENCES↗
DOE OSTI2025

SuFEx-enabled high-throughput medicinal chemistry for developing potent tamoxifen analogs as Ebola virus entry inhibitors

Ebola virus (EBOV) causes severe hemorrhagic fever with a high mortality rate in humans. In acute infection, an abnormal immune response results in excessive inflammatory cytokines and uncontrolled systemic inflammation that can result in organ damage and multi-organ failure. While vaccines and monoclonal antibody therapies are available, there is an urgent need for effective small-molecule antivirals against EBOV. Here, we report on the optimization of tamoxifen, an EBOV-glycoprotein (GP) binder that inhibits viral entry, using our Sulfur-Fluoride Exchange (SuFEx) click chemistry-based high-throughput medicinal chemistry (HTMC) strategy. Using a “Direct-to-Biology” approach, we generated a focused library of 2,496 tamoxifen analogs overnight and screened them in a cell-based pseudo-EBOV infection assay. The HTMC workflow enabled the development of a potent EBOV entry inhibitor with submicromolar EC 50 cellular antiviral activity and more than 50-fold improvement in binding affinity against EBOV-GP compared to the parent compound. Our findings underscore the use of SuFEx-enabled HTMC for rapidly generating and assessing potential therapeutic candidates against viral and immune-mediated diseases in a cell-based assay.

Immunology↗
DOE OSTI2023

Version of GCAM-USA used for National Climate Assessment 5, Chapter 5: GCAM-USA-v5.3-IM3-NCA5

Overview GCAM-USA-v5.3-IM3-NCA5 is developed using GCAM-USA-v5.3 as its core, with the impact of the thermodynamic global warming scenario "RCP8.5_hotter" on runoff, heating and cooling degree-hours, and agricultural yield and the SSP5 socioeconomic scenario. These scenarios were produced as part of the Integrated Multisector, Multiscale Modeling (IM3) project and used by National Climate Assessment 5. Detailed Information This software package includes the output dataset, which is located in "output/database_rcp85hotter_ssp5". For reproducibility, the model is setup and ready to run for the selected IM3 scenario "rcp85hotter_ssp5". To execute the model, double click "exe/run-gcam.bat".

Climate Change↗
DOE OSTI2026

MSD CoP Webinar: "Advances in MSD-LIVE to Support the MSD Community of Practice"

Context: This webinar was hosted by the MultiSector Dynamics Community of Practice (MSD CoP; https://multisectordynamics.org). Advances in MSD-LIVE to Support the MSD Community of Practice Presenters: Casey Burleyson and Zoe Guillen (Pacific Northwest National Laboratory) Abstract: The MultiSector Dynamics Living, Intuitive, Value-adding, Environment (MSD-LIVE; msdlive.org) is a cloud-based data management system and advanced computing platform that enables MSD researchers to document and archive their data, run their models and analysis tools, and share their data, software, and workflows within the MSD Community of Practice. Recently, several high-profile datasets have attracted many new users to MSD-LIVE. This webinar has two goals: 1) To refamiliarize the MSD community and new users with the components of the platform (e.g., the data repository, model training notebooks, and data dashboards) and to highlight examples of how these components are advancing MSD science and 2) To demonstrate new features in v3 of the platform, released in late 2025. The main new feature in v3 is the ability to interactively explore data in MSD-LIVE without downloading it. MSD-LIVE users can now click a button in our data repository and launch a blank Jupyter notebook with access to the underlying data on AWS. Users can use the notebook to write analysis, visualization, or subsetting routines that process the data directly on the AWS cloud. We also added a GitHub integration feature that allows users to share analysis or visualization code they develop with the community of MSD-LIVE users. The webinar will wrap up with a look at what's coming next for MSD-LIVE in 2026. Moderator: Patrick M. Reed (MSD CoP Facilitation Team) This webinar was held on: May 12th, 2026 from 1-2 PM EST.

Open Science↗
DOE OSTI2020

Rhodol fluorophores for near-infrared imaging

The present disclosure encompasses embodiments of a novel near-infrared-emitting molecular fluorophore and probes incorporating said fluorophore advantageous for in vitro and in vivo research studies. The fluorophore is robust, photostable, and possesses functionalities for easy bioorthogonal conjugation (e.g., click chemistry, hydrazone formation, Diels Alder, Staudinger ligation, etc.). It is biocompatible and emits at 711 nm in aqueous conditions. These fluorophores may be used to fluorescently tag biological molecules or structures of interest, or used as optical reporters (i.e., activatable molecular probes, fluorescent dyes) for specific biomarkers/analytes as they can be switched from “off” to “on.” This fluorophore is useful for cellular assays and preclinical small animal imaging as the near-infrared emission is highly penetrating, and the photophysical properties are outstanding. As such, the properties of this class of fluorophores could easily be translated for use in clinical applications.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗
DOE OSTI2024

BETTER Together

The Standard Energy Efficiency Data (SEED) and Building Efficiency Targeting Tool for Energy Retrofits (BETTER) platforms are both developed by the Department of Energy and work better together. SEED is a database to manage building characteristics and performance data from a variety of sources. BETTER provides simple energy efficiency measure analyses based on high level data about the building or portfolio of buildings. A demonstration of each platform and their integration will be provided. The inputs for BETTER are building type, floor area, location, utility data, and whether PV shall be included in the analysis. The BETTER analysis can be manually set up through the web application or data can be uploaded with a BuildingSync XML file either directly or through the API. SEED can be the source of this data and the data can be sent to BETTER through the SEED application after the BETTER API token has been entered. The benefit of utilizing SEED is that it has connections to many other sources of data such as ENERGY STAR Portfolio Manager, Audit Template, and Salesforce. Therefore, it is likely that a user of SEED will already have the required inputs for BETTER in SEED already and can create BETTER analyses across their whole portfolio in a couple mouse clicks. This is a major time savings and enables decision makers an easy path to identify buildings that should undergo more detailed audits or retrofit pathways.

ASHRAE↗
DOE OSTI2024

Integrated Operations for Nuclear: Work Reduction Opportunity Demonstration

Integrated Operations for Nuclear: Work Reduction Opportunity Demonstration The DI BCA document also identifies specific, digitally enabled WRO categories for further study. These were selected as most relevant by Reference Plant personnel from a larger list of WRO areas identified across the nuclear industry as captured INL/RPT-21-64134, “Process for Significant Nuclear Work Function Innovation Based on Integrated Operations Concepts.” This ION WRO demonstration report was developed to provide illustrative, specific, and actionable direction for intertwined PTPG changes associated with digital modernization efforts. The coordinated changes in these areas are intended to maximize safe plant operational and economic performance. This includes enabling WROs associated with detailed configuration, implementation, and use of digital systems and how they are supported over their lifecycle. Illustrating this direction through a minimum set of advanced technology examples establishes a model PTPG framework that can be leveraged across the spectrum of nuclear plant digital modernization efforts going forward. This document addresses many related concepts. To promote an integrated understanding of the topics that make up this work, this document contains an extensive set of internal hyperlinks. This set includes hyperlinks to page numbers in the table of contents, section numbers, items in lists, figures, tables, and references to other documents within the report. When hovering the cursor above hyperlinked text in Adobe, the cursor will change from “ ” to “ .” When the “ ” appears, a left mouse click will take the reader to the referenced location in the document. To return to the original location in the document, the reader need only press and hold the “alt” button on the keyboard and then simultaneously press the “<” directional key on the keyboard.

42 ENGINEERING↗
DOE OSTI2026

Photovoltaic Reliability Workshop (PVRW) 2026 Oral Presentation Proceedings

Each year, the Photovoltaics Reliability Workshop (PVRW) brings together solar technology experts to discuss current and future issues in PV reliability. This document collects oral presentations that were part of PVRW 2026. Click the presentation titles in the following agenda to jump to each file. Not all talks listed in the agenda can be found in this document, as not all presentation files were provided to PVRW for inclusion in these proceedings.

14 SOLAR ENERGY↗
DOE OSTI2023

Lead leaching and electrowinning in acetic acid for solar module recycling

It is imperative to recover lead (Pb) contained in end-of-life solar modules. In this paper, a two-step leaching and electrowinning process using acetic acid is investigated for Pb recovery. Acetic acid with hydrogen peroxide can dissolve Pb quickly and, under some conditions, in a matter of minutes. Pb electrowinning has been successfully demonstrated from aqueous solutions of 0.009 M lead(II) acetate with 0–10% v/v acetic acid. Pb-containing deposits are found on both the copper cathode and graphite anode. X-ray diffraction, energy-dispersive X-ray spectroscopy, and Fourier transform infrared spectroscopy confirm the presence of metallic Pb and Pb(II) oxide (PbO) co-deposits on the cathode. Further, there is also the formation of lead subacetate on the cathode under certain conditions. On the anode, the deposit consists of lead(IV) oxide and superoxide (PbO 2 and Pb 1–x O 2 ). A Pb recovery rate of 99% is achieved in 0.009 M lead(II) acetate solutions with 10% v/v acetic acid by applying a reduction potential of either –0.8 V or –1.0 V versus the silver/silver chloride reference electrode for 24h. Pb leaching with acetic acid is also demonstrated from milled silicon solar modules.

14 SOLAR ENERGY↗
DOE OSTI2024

Innovative recycling of high purity silver from silicon solar cells by acid leaching and ultrasonication

Precious and scarce silver (Ag) is used as a front electrical contact in silicon solar panels. With massive amounts of solar panel waste coming to end-of-life, it is imperative to recover all the Ag from these modules. In this paper, we propose a novel method to easily reclaim Ag from end-of-life silicon solar cells using low concentration sulfuric acid (H 2 SO 4 ) leaching followed by ultrasonication. Our process simplifies the Ag recycling procedure by directly recovering the Ag contacts from solar cells, eliminating the need for secondary precipitation/electrodeposition. First, scanning electron microscopy (SEM) with energy dispersive X-ray spectroscopy (EDX) and X-ray photoelectron spectroscopy (XPS) was used to study the leaching and ultrasonication process on rejected solar wafers. Next, a solar panel from landfill was heated in a furnace to burn off the polymer encapsulant. The silicon wafers were then collected from the burning process and leached in 2 M H 2 SO 4 at two different shaking speeds for 48 hours at room temperature. Finally, the end-of-life silicon wafer pieces were collected, sonicated in water, and then the sonication water was centrifuged to show a proof-of-concept to recover the Ag contacts. Inductively coupled plasma optical emission spectroscopy (ICPOES) is used to monitor dissolved elements in the leachate as a function of time and shaking speed. XPS is used to evaluate the composition of the silicon cell wafer surface before and after H 2 SO 4 leaching. SEM is used to image the recovered Ag contacts morphology and EDX confirms the recovered particles contain high amounts of Ag. Furthermore, a proposed schematic illustrates the authors’ hypothesis for the peeling mechanism.

14 SOLAR ENERGY↗
DOE OSTI2025

Synthesis and Characterization of [Ni(H 2 O)(7-P Ph 2 N ArSO3 ) 2 ](NaBF 4 ) for Light-Driven Quantum Dot-Catalyst Hydrogen Evolution

Light-driven hydrogen generation from water is a route to carbon-neutral fuels. However, the integrated light absorbers and catalysts must be compatible and functional under the same conditions. A sulfate-functionalized complex, [Ni(H 2 O)(7-P Ph 2 N ArSO3 ) 2 ](NaBF 4 ), where P Ph 2 N ArSO3 = 4-(3,6-diphenyl-1,3,6-azadiphosphepan-1-yl)benzenesulfonate), was synthesized and characterized. A solid-state structure from single-crystal X-ray crystallography is also reported. The electrocatalytic activity for hydrogen evolution of this complex in 7:3 H 2 O:CH 3 CN was characterized by cyclic voltammetry and controlled potential electrolysis, with a maximum observed rate of 83 s –1 . Density functional theory was used to characterize the favorable binding of the sulfate functionalities to cadmium sulfide quantum dots. Experimental assembly of these catalysts onto cadmium sulfide quantum dots was successful. In conclusion, both fast electron transfer and light-driven pH-dependent hydrogen evolution were observed.

36 MATERIALS SCIENCE↗
DOE OSTI2025

Precision Labeling of Native Antibodies with Lock Coupling

The formation of stable protein complexes enables much of biotechnology, but even high-affinity complexes can dissociate, limiting potential applications in biomaterials, bioimaging, nanomedicine, and other protein-based technologies. Here, in this study, we describe lock coupling, a simple and selective one-step reaction between interfacial lysine and glutamate or aspartate side chains to form stable isopeptide bonds and be used for the precise labeling of native antibodies. We identify conditions in which short-lived activated esters formed by the aqueous carbodiimide EDC promote isopeptide bond formation specifically at preassociated amine-acid pairs. Indiscriminate cross-linking is minimized by formation of protein complexes before addition of catalyst, use of acidic pH to suppress exposed Lys reactivity, and limiting the aqueous stability of activated esters. For native antibody (Ab) labeling, we show that the small IgG-binding protein GB1 can be covalently attached to the Ab Fc domain and that introduction of Cys into GB1 loops allows for facile conjugation of fluorophores, micelles, or inorganic nanocrystals for imaging in live cells and animals. By varying Cys substituents and protein stoichiometry, a defined number of probes can be uniformly attached without the need for extensive purification. In live-cell confocal microscopy, labeled GB1 serves as a stable replacement for secondary Abs, enabling simple multicolor immunostaining and imaging. Lock coupling requires just a single reagent in aqueous buffer and leverages both the innate ability of proteins to form high-affinity complexes and the widespread presence of Lys-Glu/Asp pairs at their interfaces, with the potential for precision synthesis of protein-based probes for imaging, biomaterials, biophysics, and medicine.

antibody↗
DOE OSTI2020

Effect of indium alloying on the charge carrier dynamics of thick-shell InP/ZnSe quantum dots

In this work, thick-shell InP/ZnSe III–V/II–VI quantum dots (QDs) were synthesized with two distinct interfaces between the InP core and ZnSe shell: alloy and core/shell. Despite sharing similar optical properties in the spectral domain, these two QD systems have differing amounts of indium incorporation in the shell as determined by high-resolution energy-dispersive x-ray spectroscopy scanning transmission electron microscopy. Ultrafast fluorescence upconversion spectroscopy was used to probe the charge carrier dynamics of these two systems and shows substantial charge carrier trapping in both systems that prevents radiative recombination and reduces the photoluminescence quantum yield. The alloy and core/shell QDs show slight differences in the extent of charge carrier localization with more extensive trapping observed in the alloy nanocrystals. Despite the ability to grow a thick shell, structural defects caused by III–V/II–VI charge carrier imbalances still need to be mitigated to further improve InP QDs.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗
DOE OSTI2020

Role of shell composition and morphology in achieving single-emitter photostability for green-emitting “giant” quantum dots

The use of the varied chemical reactivity of precursors to drive the production of a desired nanocrystal architecture has become a common method to grow thick-shell graded alloy quantum dots (QDs) with robust optical properties. Conclusions on their behavior assume the ideal chemical gradation and uniform particle composition. In this work, advanced analytical electron microscopy (high-resolution scanning transmission electron microscopy coupled with energy dispersive spectroscopy) is used to confirm the nature and extent of compositional gradation and these data are compared with performance behavior obtained from single-nanocrystal spectroscopy to elucidate structure, chemical-composition, and optical-property correlations. In particular, the evolution of the chemical structure and single-nanocrystal luminescence was determined for a time-series of graded-alloy “CdZnSSe/ZnS” core/shell QDs prepared in a single-pot reaction. In a separate step, thick (~6 monolayers) to giant (>14 monolayers) shells of ZnS were added to the alloyed QDs via a successive ionic layer adsorption and reaction (SILAR) process, and the impact of this shell on the optical performance was also assessed. By determining the degree of alloying for each component element on a per-particle basis, we observe that the actual product from the single-pot reaction is less “graded” in Cd and more so in Se than anticipated, with Se extending throughout the structure. The latter suggests much slower Se reaction kinetics than expected or an ability of Se to diffuse away from the initially nucleated core. It was also found that the subsequent growth of thick phase-pure ZnS shells by the SILAR method was required to significantly reduce blinking and photobleaching. However, correlated single-nanocrystal optical characterization and electron microscopy further revealed that these beneficial properties are only achieved if the thick ZnS shell is complete and without large lattice discontinuities. Thus, we identify the necessary structural design features that are required for ideal light emission properties in these green-visible emitting QDs.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗