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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 343 records · Page 19

End-to-end Provenance Traceability and Reproducibility Through "Palletized'' Simulation Data

Trusting simulation output is crucial for Sandia's mission objectives. We rely on these simulations to perform our high-consequence mission tasks given our treaty obligations. Other science and modelling needs, while they may not be high-consequence, still require the strongest levels of trust to enable using the result as the foundation for both practical applications and future research. To this end, the computing community has developed work- flow and provenance systems to aid in both automating simulation and modelling execution, but to also aid in determining exactly how was some output created so that conclusions can be drawn from the data. Current approaches for workflows and provenance systems are all at the user level and have little to no system level support making them fragile, difficult to use, and incomplete solutions. The introduction of container technology is a first step towards encapsulating and tracking artifacts used in creating data and resulting insights, but their current implementation is focused solely on making it easy to deploy an application in an isolated "sandbox" and maintaining a strictly read-only mode to avoid any potential changes to the application. All storage activities are still using the system-level shared storage. This project was an initial exploration into extending the container concept to also include storage and to use writeable containers, auto generated by the system, as a way to link the contained data back to the simulation and input deck used to create it.

97 MATHEMATICS AND COMPUTING↗

End-to-end Provenance Traceability and Reproducibility Through "Palletized'' Simulation Data

Trusting simulation output is crucial for Sandia's mission objectives. We rely on these simulations to perform our high-consequence mission tasks given our treaty obligations. Other science and modelling needs, while they may not be high-consequence, still require the strongest levels of trust to enable using the result as the foundation for both practical applications and future research. To this end, the computing community has developed work- flow and provenance systems to aid in both automating simulation and modelling execution, but to also aid in determining exactly how was some output created so that conclusions can be drawn from the data. Current approaches for workflows and provenance systems are all at the user level and have little to no system level support making them fragile, difficult to use, and incomplete solutions. The introduction of container technology is a first step towards encapsulating and tracking artifacts used in creating data and resulting insights, but their current implementation is focused solely on making it easy to deploy an application in an isolated "sandbox" and maintaining a strictly read-only mode to avoid any potential changes to the application. All storage activities are still using the system-level shared storage. This project was an initial exploration into extending the container concept to also include storage and to use writable containers, auto generated by the system, as a way to link the contained data back to the simulation and input deck used to create it.

97 MATHEMATICS AND COMPUTING↗

Brady's Geothermal Field - March 2016 Vibroseis SEG-Y Files and UTM Locations

PoroTomo March 2016 Updated vibroseis source locations with UTM locations. Supersedes gdr.openei.org/submissions/824. Updated vibroseis source location data for Stages 1-4, PoroTomo March 2016. This revision includes source point locations in UTM format (meters) for all four Stages of active source acquisition. Vibroseis sweep data were collected on a Signature Recorder unit (mfr Seismic Source) mounted in the vibroseis cab during the March 2016 PoroTomo active seismic survey Stages 1 to 4. Each sweep generated a GPS timed SEG-Y file with 4 input channels and a 20 second record length. Ch1 = pilot sweep, Ch2 = accelerometer output from the vibe's mass, Ch3 = accel output from the baseplase, and Ch4 = weighted sum of the accelerometer outputs. SEG-Y files are available via the links below. These data are available for download without login credentials through the free and publicly accessible Open Energy Data Initiative (OEDI) data viewer which allows users to browse and download individual or groups of files.

15 GEOTHERMAL ENERGY↗

Metric Ranking of Invariant Networks with Belief Propagation

The management of large-scale distributed information systems relies on the effective use and modeling of monitoring data collected at various points in the distributed information systems. A promising approach is to discover invariant relationships among the monitoring data and generate invariant networks, where a node is a monitoring data source (metric) and a link indicates an invariant relationship between two monitoring data. Such an invariant network representation can help system experts to localize and diagnose the system faults by examining those broken invariant relationships and their related metrics, because system faults usually propagate among the monitoring data and eventually lead to some broken invariant relationships. However, at one time, there are usually a lot of broken links (invariant relationships) within an invariant network. Without proper guidance, it is difficult for system experts to manually inspect this large number of broken links. Thus, a critical challenge is how to effectively and efficiently rank metrics (nodes) of invariant networks according to the anomaly levels of metrics. The ranked list of metrics will provide system experts with useful guidance for them to localize and diagnose the system faults. To this end, we propose to model the nodes and the broken links as a Markov Random Field (MRF), and develop an iteration algorithm to infer the anomaly of each node based on belief propagation (BP). Finally, we validate the proposed algorithm on both realworld and synthetic data sets to illustrate its effectiveness.

Tao, Changxia↗

An evaluation of the consistency of extremes in gridded precipitation data sets

Noting a strong imperative to understand precipitation extremes, and that considerable uncertainty affects observational data sets, this paper compares the representation of extremes in a number of widely used daily gridded products, derived from rain gauge data, satellite retrieval and reanalysis for the conterminous United States. Analysis is based upon the concept of “tail dependence” arising in multivariate extreme value theory, and we infer the level of temporal dependence in the joint tail of the precipitation probability distribution for pairwise comparisons of products. In this way, we consider the range of products more like an ensemble and examine the relationships between members, and do not attempt to define, or compare products to, some ground truth. Linear correlation between products is also computed. Considerable discrepancy between groups of products, both annually and seasonally, is linked to source data and complex terrain. In particular, products based on rain gauge data showed remarkable similarity, but differed considerably, showing almost total loss of extremal dependence during DJF in mountainous regions, when compared with satellite products. Additionally, simulated re-forecasts revealed reasonable temporal agreement with large scale generated extremes. The diversity and extent of discrepancies identified across all products raises important questions about their use, and we urge caution, particularly for products derived from satellite data.

54 ENVIRONMENTAL SCIENCES↗

Produced Water DNA Database (PW-DNA): Utilizing KBase to generate an environmental specific curated molecular database

The deep subsurface is estimated to host the majority of Earth’s microbial biomass yet remains one of the most challenging environments to access and study. One common approach to investigate these microbial communities is through the analysis of produced water from subsurface reservoirs, where researchers can assess water and gas chemistry along with molecular (DNA/RNA) sequence data. Advances in high-throughput sequencing have greatly expanded our understanding of these environments and their biotechnological potential. However, further progress requires large-scale, integrative meta-analyses across diverse datasets. To address this need, we developed the Produced Water-DNA (PW-DNA) Database, a curated, publicly available resource that consolidates microbial DNA/RNA sequences, geochemical data, and relevant metadata from in situ hydrocarbon environments such as coal beds, oil reservoirs, and natural gas systems. The PW-DNA database delivers three core benefits to the research community: (1) it improves data sharing by linking environmental microbial datasets with corresponding geochemical parameters, enabling more robust filtering and analysis; (2) it connects with complementary research databases to promote broader dissemination and interoperability; and (3) it supports technological innovation by serving as a resource for identifying microbial trends and exploring genetic potential. While individual studies have highlighted basin-specific microbial communities and functional redundancy in biogeochemical cycling, a comprehensive, system-wide perspective is needed to better understand connectivity and novelty across subsurface ecosystems. By designing the PW-DNA in the KBase platform, we provide a reproducible, visual framework for integrating large-scale genomic and geochemical data, enabling researchers to perform more informed analyses and experimental design. Ultimately, this resource enhances the ability to identify, characterize, and interpret microbial functions across diverse subsurface environments, thereby accelerating discovery in subsurface microbiology and biotechnology.

59 BASIC BIOLOGICAL SCIENCES↗

Proteomic and metabolic disturbances in lignin-modified Brachypodium distachyon

Abstract Lignin biosynthesis begins with the deamination of phenylalanine and tyrosine (Tyr) as a key branch point between primary and secondary metabolism in land plants. Here, we used a systems biology approach to investigate the global metabolic responses to lignin pathway perturbations in the model grass Brachypodium distachyon. We identified the lignin biosynthetic protein families and found that ammonia-lyases (ALs) are among the most abundant proteins in lignifying tissues in grasses. Integrated metabolomic and proteomic data support a link between lignin biosynthesis and primary metabolism mediated by the ammonia released from ALs that is recycled for the synthesis of amino acids via glutamine. RNA interference knockdown of lignin genes confirmed that the route of the canonical pathway using shikimate ester intermediates is not essential for lignin formation in Brachypodium, and there is an alternative pathway from Tyr via sinapic acid for the synthesis of syringyl lignin involving yet uncharacterized enzymatic steps. Our findings support a model in which plant ALs play a central role in coordinating the allocation of carbon for lignin synthesis and the nitrogen available for plant growth. Collectively, these data also emphasize the value of integrative multiomic analyses to advance our understanding of plant metabolism.

59 BASIC BIOLOGICAL SCIENCES↗

Phycobilisomes Harbor FNR L in Cyanobacteria

Cyanobacterial phycobilisomes (PBSs) are photosynthetic antenna complexes that harvest light energy and supply it to two reaction centers (RCs) where photochemistry starts. PBSs can be classified into two types, depending on the presence of allophycocyanin (APC): CpcG-PBS and CpcL-PBS. Because the accurate protein composition of CpcL-PBS remains unclear, we describe here its isolation and characterization from the cyanobacterium Synechocystis sp. strain 6803. We found that ferredoxin-NADP⁺ oxidoreductase (or FNR L ), an enzyme involved in both cyclic electron transport and the terminal step of the electron transport chain in oxygenic photosynthesis, is tightly associated with CpcL-PBS as well as with CpcG-PBS. Room temperature and low-temperature fluorescence analyses show a red-shifted emission at 669 nm in CpcL-PBS as a terminal energy emitter without APC. SDS-PAGE and quantitative mass spectrometry reveal an increased content of FNR L and CpcC2, a rod linker protein, in CpcL-PBS compared to that of CpcG-PBS rods, indicative of an elongated CpcL-PBS rod length and its potential functional differences from CpcGPBS. Furthermore, we combined isotope-encoded cross-linking mass spectrometry with computational protein structure predictions and structural modeling to produce an FNR L -PBS binding model that is supported by two cross-links between K 69 of FNR L and the N terminus of CpcB, one component in PBS, in both CpcG-PBS and CpcL-PBS (cross-link 1), and between the N termini of FNR L and CpcB (cross-link 2). Our data provide a novel functional assembly form of phycobiliproteins and a molecular-level description of the close association of FNR L with phycocyanin in both CpcG-PBS and CpcL-PBS.

59 BASIC BIOLOGICAL SCIENCES↗

Leaf gas exchange and fitted parameters, two sites in Panama, 2022

Photosynthetic CO2 response curves (ACi curves), light response curves (AQ curves), dark adapted dark respiration, conductance curves, and survey measurements for leaves measured in the Parque Natural Metropolitano (PNM) and Gamboa, Panama, from January to April 2022 are presented. Measurements were made on leaves from 46 different tree, shrub and liana species, from sunlit canopy and understory locations. Leaf area index from 8 vertical profiles at PNM are also included. The aim of this measurement campaign was three-fold: (i) to improve our understanding of the vertical variation in leaf-level water use efficiency; (ii) to develop an understanding of the sensitivity of stomata to changes in environmental conditions, especially light, humidity, and temperature; (iii) to improve models which can predict leaf traits from leaf contact spectral measurements. All the gas exchange data and metadata are presented in .csv files and complete instrument output are included in .zip folders. Data and metadata meet the ESS-DIVE leaf-level gas exchange reporting format requirements. The protocol details are provided as pdf documents. In addition to gas exchange data reported here these samples were also used for measurement of leaf optical properties, carbon and nitrogen content, and leaf mass per unit leaf area (LMA). These data can be cross linked using the unique sample ID and are provided in separate data packages.

54 ENVIRONMENTAL SCIENCES↗

Evaluation of emerging parallel optical link technology for high energy physics

Modern particle detectors utilize optical fiber links to deliver event data to upstream trigger and data processing systems. Future detector systems can benefit from the development of dense arrangements of high speed optical links emerging from industry advancements in transceiver technology. Supporting data transfers of up to 120 Gbps in each direction, optical engines permit assembly of the optical transceivers in close proximity to ASICs and FPGAs. Test results of some of these parallel components will be presented including the development of pluggable FPGA Mezzanine Cards equipped with optical engines to provide to collaborators on the Versatile Link Common Project for the HI-LHC at CERN.

46 INSTRUMENTATION RELATED TO NUCLEAR SCIENCE AND ↗

A Case Study Correlating Innovative Gamma Ray Scanning Detection Systems Data to Surface Soil Gamma Spectrometry Results - 13580

HydroGeoLogic (HGL), Inc. completed a United States Environmental Protection Agency (USEPA) study to characterize radiological contamination at a site near Canoga Park, California. The characterized area contained 470 acres including the site of a prototype commercial nuclear reactor and other nuclear design, testing, and support operations from the 1950's until 1988 [1]. The site history included radiological releases during operation followed by D and D activities. The characterization was conducted under an accelerated schedule and the results will support the project remediation. The project has a rigorous cleanup to background agenda and does not allow for comparison to risk-based guidelines. To target soil sample locations, multiple lines of evidence were evaluated including a gamma radiation survey, geophysical surveys, historical site assessment, aerial photographs, and former worker interviews. Due to the time since production and decay, the primary gamma emitting radionuclide remaining is cesium-137 (Cs-137). The gamma ray survey covered diverse, rugged terrain using custom designed sodium iodide thallium-activated (NaI(Tl)) scintillation detection systems. The survey goals included attaining 100% ground surface coverage and detecting gamma radiation as sensitively as possible. The effectiveness of innovative gamma ray detection systems was tested by correlating field Cs-137 static count ratios to Cs-137 laboratory gamma spectrometry results. As a case study, the area encompassing the former location of the first nuclear power station in the U. S. was scanned, and second by second global positioning system (GPS)-linked gamma spectral data were evaluated by examining total count rate and nuclide-specific regions of interest. To compensate for Compton scattering from higher energy naturally occurring radionuclides (U-238, Th-232 and their progeny, and K-40), count rate ratios of anthropogenic nuclide-specific regions of interest to the total count rate were calculated. From the scanning data, locations with observed Cs-137 ratios exceeding six standard deviations above the mean ratio were mapped in high resolution [2]. Field teams returned to those locations to collect static count measurements using the same detection systems. Soil surface samples were collected at 30 locations and analyzed for Cs-137. An exponential correlation was identified between Cs-137 concentrations in surface soil and field-scanned Cs-137 ratios. The data indicate field minimum detectable concentration (MDC) of Cs-137 at 0.02 Bq/g (0.5 pCi/g) or lower depending on contaminant distribution in soil. (authors)

12 MANAGEMENT OF RADIOACTIVE AND NON-RADIOACTIVE W↗

Solar-to-Grid Public Data File for Utility-scale (UPV) and Distributed Photovoltaics (DPV) Generation, Capacity Credit, and Value

Lawrence Berkeley National Laboratory (Berkeley Lab) estimates hourly project-level generation data for utility-scale solar projects and hourly county-level generation data for residential and non-residential distributed photovoltaic (PV) systems in the seven organized wholesale markets and 10 additional Balancing Areas. To encourage its broader use, Berkeley Lab has made this data file public here at OEDI. The public project-level dataset is updated annually with data from the previous calendar year. For more information about the research project, including a technical report, briefing material, visualizations, and additional data, please visit the project homepage linked in this submission. A newer version of the data exists and can be found linked in the resources of this submission under "Solar-to-Grid Public Data File Updated 2021".

annual solar value↗

Harvesting Planck radiation for free-space optical communications in the long-wave infrared band

We demonstrate a free-space optical communication link with an optical transmitter that harvests naturally occurring Planck radiation from a warm body and modulates the emitted intensity. The transmitter exploits an electro-thermo-optic effect in a multilayer graphene device that electrically controls the surface emissivity of the device resulting in control of the intensity of the emitted Planck radiation. We design an amplitude-modulated optical communication scheme and provide a link budget for communications data rate and range based on our experimental electro-optic characterization of the transmitter. Finally, we present an experimental demonstration achieving error-free communications at 100 bits per second over laboratory scales.

Weinstein, Haley A.↗

Molecular determinants of cross-reactivity and potency by VH3-33 antibodies against the Plasmodium falciparum circumsporozoite protein

IGHV3-33 -encoded antibodies are prevalent in the human humoral response against the Plasmodium falciparum circumsporozoite protein (PfCSP). Among VH3-33 antibodies, cross-reactivity between PfCSP major repeat (NANP), minor (NVDP), and junctional (NPDP) motifs is associated with high affinity and potent parasite inhibition. However, the molecular basis of antibody cross-reactivity and the relationship with efficacy remain unresolved. Here, we perform an extensive structure-function characterization of 12 VH3-33 anti-PfCSP monoclonal antibodies (mAbs) with varying degrees of cross-reactivity induced by immunization of mice expressing a human immunoglobulin gene repertoire. We identify residues in the antibody paratope that mediate cross-reactive binding and delineate four distinct epitope conformations induced by antibody binding, with one consistently associated with high protective efficacy and another that confers comparably potent inhibition of parasite liver invasion. Our data show a link between molecular features of cross-reactive VH3-33 mAb binding to PfCSP and mAb potency, relevant for the development of antibody-based interventions against malaria.

59 BASIC BIOLOGICAL SCIENCES↗

Arsenite evokes IL-6 secretion, autocrine regulation of STAT3 signaling, and miR-21 expression, processes involved in the EMT and malignant transformation of human bronchial epithelial cells

Arsenite is an established human carcinogen, and arsenite-induced inflammation contributes to malignant transformation of cells, but the molecular mechanisms by which cancers are produced remain to be established. The present results showed that, evoked by arsenite, secretion of interleukin-6 (IL-6), a pro-inflammatory cytokine, led to the activation of STAT3, a transcription activator, and to increased levels of a microRNA, miR-21. Blocking IL-6 with anti-IL-6 antibody and inhibiting STAT3 activation reduced miR-21 expression. For human bronchial epithelial cells, cultured in the presence of anti-IL-6 antibody for 3 days, the arsenite-induced EMT and malignant transformation were reversed. Thus, IL-6, acting on STAT3 signaling, which up-regulates miR-21in an autocrine manner, contributes to the EMT induced by arsenite. These data define a link from inflammation to EMT in the arsenite-induced malignant transformation of HBE cells. This link, mediated through miRNAs, establishes a mechanism for arsenite-induced lung carcinogenesis. - Highlights: • Arsenite evokes IL-6 secretion. • IL-6 autocrine mediates STAT3 signaling and up-regulates miR-21expression. • Inflammation is involved in arsenite-induced EMT.

60 APPLIED LIFE SCIENCES↗

Fetal and neonatal exposure to nicotine leads to augmented hepatic and circulating triglycerides in adult male offspring due to increased expression of fatty acid synthase

While nicotine replacement therapy is assumed to be a safer alternative to smoking during pregnancy, the long-term consequences for the offspring remain elusive. Animal studies now suggest that maternal nicotine exposure during perinatal life leads to a wide range of adverse outcomes for the offspring including increased adiposity. The focus of this study was to investigate if nicotine exposure during pregnancy and lactation leads to alterations in hepatic triglyceride synthesis. Female Wistar rats were randomly assigned to receive daily subcutaneous injections of saline (vehicle) or nicotine bitartrate (1 mg/kg/day) for two weeks prior to mating until weaning. At postnatal day 180 (PND 180), nicotine exposed offspring exhibited significantly elevated levels of circulating and hepatic triglycerides in the male offspring. This was concomitant with increased expression of fatty acid synthase (FAS), the critical hepatic enzyme in de novo triglyceride synthesis. Given that FAS is regulated by the nuclear receptor Liver X receptor (LXRα), we measured LXRα expression in both control and nicotine-exposed offspring. Nicotine exposure during pregnancy and lactation led to an increase in hepatic LXRα protein expression and enriched binding to the putative LXRE element on the FAS promoter in PND 180 male offspring. This was also associated with significantly enhanced acetylation of histone H3 [K9,14] surrounding the FAS promoter, a hallmark of chromatin activation. Collectively, these findings suggest that nicotine exposure during pregnancy and lactation leads to an increase in circulating and hepatic triglycerides long-term via changes in the transcriptional and epigenetic regulation of the hepatic lipogenic pathway. - Highlights: • Our data reveals the links nicotine exposure in utero and long-term hypertriglyceridemia. • It is due to nicotine-induced augmented expression of hepatic FAS and LXRα activity. • Moreover, this involves nicotine-induced enhanced acetylation of histone H3 [K9,14]. • This provides a mechanism for developmental origins of health and disease (DOHaD)

60 APPLIED LIFE SCIENCES↗

Epithelial-mesenchymal transition and cancer stem cells, mediated by a long non-coding RNA, HOTAIR, are involved in cell malignant transformation induced by cigarette smoke extract

The incidence of lung diseases, including cancer, caused by cigarette smoke is increasing, but the molecular mechanisms of gene regulation induced by cigarette smoke remain unclear. This report describes a long noncoding RNA (lncRNA) that is induced by cigarette smoke extract (CSE) and experiments utilizing lncRNAs to integrate inflammation with the epithelial-mesenchymal transition (EMT) in human bronchial epithelial (HBE) cells. The present study shows that, induced by CSE, IL-6, a pro-inflammatory cytokine, leads to activation of STAT3, a transcription activator. A ChIP assay determined that the interaction of STAT3 with the promoter regions of HOX transcript antisense RNA (HOTAIR) increased levels of HOTAIR. Blocking of IL-6 with anti-IL-6 antibody, decreasing STAT3, and inhibiting STAT3 activation reduced HOTAIR expression. Moreover, for HBE cells cultured in the presence of HOTAIR siRNA for 24 h, the CSE-induced EMT, formation of cancer stem cells (CSCs), and malignant transformation were reversed. Thus, IL-6, acting on STAT3 signaling, which up-regulates HOTAIR in an autocrine manner, contributes to the EMT and to CSCs induced by CSE. These data define a link between inflammation and EMT, processes involved in the malignant transformation of cells caused by CSE. This link, mediated through lncRNAs, establishes a mechanism for CSE-induced lung carcinogenesis. - Highlights: • STAT3 directly regulates the levels of LncRNA HOTAIR. • LncRNA HOTAIR mediates the link between inflammation and EMT. • LncRNA HOTAIR is involved in the malignant transformation of cells caused by CSE.

60 APPLIED LIFE SCIENCES↗

Adsorption Microcalorimetry of CO 2 in Confined Aminopolymers

Aminopolymers confined within mesoporous supports have shown promise as materials for direct capture of CO 2 from ambient air. In spite of this, relatively little is known about the energetics of CO2 binding in these materials, and the limited calorimetric studies published to date have focused on materials made using molecular aminosilanes rather than amine polymers. In this work, poly(ethylenimine) (PEI) is impregnated within mesoporous SBA-15, and the heats of CO 2 adsorption at 30 °C are investigated using a Tian-Calvet calorimeter with emphasis on the role of PEI loading and CO 2 pressure in the compositional region relevant to direct capture of CO 2 from ambient air. In parallel, CO 2 uptakes of these materials are measured using multiple complementary approaches, including both volumetric and gravimetric methods, and distinct changes in uptake as a function of CO 2 pressure and amine loading are observed. The CO 2 sorption behavior is directly linked to textural data describing the porosity and PEI distribution in the materials.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗