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At least 253 records · Page 14
All sourcesNASA NTRSDOE OSTI
DOE OSTI2022

Text-mined dataset of gold nanoparticle synthesis procedures, morphologies, and size entities

Abstract Gold nanoparticles are highly desired for a range of technological applications due to their tunable properties, which are dictated by the size and shape of the constituent particles. Many heuristic methods for controlling the morphological characteristics of gold nanoparticles are well known. However, the underlying mechanisms controlling their size and shape remain poorly understood, partly due to the immense range of possible combinations of synthesis parameters. Data-driven methods can offer insight to help guide understanding of these underlying mechanisms, so long as sufficient synthesis data are available. To facilitate data mining in this direction, we have constructed and made publicly available a dataset of codified gold nanoparticle synthesis protocols and outcomes extracted directly from the nanoparticle materials science literature using natural language processing and text-mining techniques. This dataset contains 5,154 data records, each representing a single gold nanoparticle synthesis article, filtered from a database of 4,973,165 publications. Each record contains codified synthesis protocols and extracted morphological information from a total of 7,608 experimental and 12,519 characterization paragraphs.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗
DOE OSTI2025

Precursor reaction pathway leading to BiFeO 3 formation: insights from text-mining and chemical reaction network analyses

BiFeO 3 (BFO) is a next-generation non-toxic multiferroic material with applications in sensors, memory devices, and spintronics, where its crystallinity and crystal structure directly influence its functional properties. Designing sol–gel syntheses that result in phase-pure BFO remains a challenge due to the complex interactions between metal complexes in the precursor solution. Here, we combine text-mined data and chemical reaction network (CRN) analysis to obtain novel insight into BFO sol–gel precursor chemistry. We perform text-mining analysis of 340 synthesis recipes with the emphasis on phase-pure BFO and identify trends in the use of precursor materials, including that nitrates are the preferred metal salts, 2-methoxyethanol (2 ME) is the dominant solvent, and adding citric acid as a chelating agent frequently leads to phase-pure BFO. Our CRN analysis reveals that the thermodynamically favored reaction mechanism between bismuth nitrate and 2ME interaction involves partial solvation followed by dimerization, contradicting assumptions in previous literature. We suggest that further oligomerization, facilitated by nitrite ion bridging, is critical for achieving the pure BFO phase.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗
DOE OSTI2025

MINE: maximally informative next experiment—toward a new GWAS experimental design and methodology

Abstract The computational methodology of Genome Wide Association Studies (GWAS) currently has several limitations: (i) the number of observations (rows) on a quantitative trait tends to be smaller than the number of single nucleotide polymorphisms (SNPs) (columns) in the design matrix; (ii) each SNP is usually modeled separately, failing to acknowledge interaction between each other (ie epistasis); (iii) there is implicit linkage disequilibrium (LD) between neighboring SNPs due to their linkage. To overcome these issues, we developed a tool that uses ensemble methods to fit mixed linear models to GWAS data, and these ensemble methods include the development of a new experimental design approach in GWAS, which uses the resultant models and data to select the next informative experiment over time. This new adaptive and staged approach for GWAS experimental design was developed and tested in a 3 yr adaptive model-guided discovery experiment against a fixed classical design. In Sorghum bicolor a total of 79, 86, and 78 accessions were tested in years 1, 2, and 3, respectively out of 343 accessions available in the Bioenergy Association Panel (BAP) each identified for 232,303 SNPs, 1 every 2–3 kb in the genomes. We demonstrated the feasibility of MINE enacted with 8 people in the field per year over 3 yr vs in 1 large classical design enacted with 20 people in 1 yr. The MINE results for chromosomal regions identified controlling dry weight were confirmed against results from previous sorghum GWAS experiments and 1 large classical design for the BAP panel.

Genetics & Heredity↗
DOE OSTI2023

Computer-aided, resistance gene-guided genome mining for proteasome and HMG-CoA reductase inhibitors

Secondary metabolites (SMs) are biologically active small molecules, many of which are medically valuable. Fungal genomes contain vast numbers of SM biosynthetic gene clusters (BGCs) with unknown products, suggesting that huge numbers of valuable SMs remain to be discovered. It is challenging, however, to identify SM BGCs, among the millions present in fungi, that produce useful compounds. One solution is resistance gene-guided genome mining, which takes advantage of the fact that some BGCs contain a gene encoding a resistant version of the protein targeted by the compound produced by the BGC. The bioinformatic signature of such BGCs is that they contain an allele of an essential gene with no SM biosynthetic function, and there is a second allele elsewhere in the genome. We have developed a computer-assisted approach to resistance gene-guided genome mining that allows users to query large databases for BGCs that putatively make compounds that have targets of therapeutic interest. Working with the MycoCosm genome database, we have applied this approach to look for SM BGCs that target the proteasome β6 subunit, the target of the proteasome inhibitor fellutamide B, or HMG-CoA reductase, the target of cholesterol reducing therapeutics such as lovastatin. Our approach proved effective, finding known fellutamide and lovastatin BGCs as well as fellutamide- and lovastatin-related BGCs with variations in the SM genes that suggest they may produce structural variants of fellutamides and lovastatin. Gratifyingly, we also found BGCs that are not closely related to lovastatin BGCs but putatively produce novel HMG-CoA reductase inhibitors.

59 BASIC BIOLOGICAL SCIENCES↗
DOE OSTI2021

Local-Distance Seismic Event Relocation and Relative Magnitude Estimation, Applications to Mining Related Seismicity in the Powder River Basin, Wyoming

Recent efforts to characterize small ( M w < 3 ) seismic events at local distances have become more important because of the increased observation of human-triggered and induced seismicity and the need to advance nuclear explosion monitoring capabilities. The signals generated by low-magnitude seismic sources necessitate the use of nearby short-period observations, which are sensitive to local geological heterogeneity. Local to near-regional distance ( < 300 km ) surface and shear waves can dominate short-period observations from small, shallow seismic sources. In this work, we utilize these observations to estimate precise, relative locations and magnitudes of ~ 700 industrial mining events in Wyoming, using nearly 360,000 observations. The precise, relative location estimates (with formal location uncertainty estimates of less than 1 km) collapse a diffuse collection of mining events into discrete clusters associated with individual blasting operations. We also invert the cross-correlation amplitudes to estimate precise, relative moment magnitude estimates, which help validate and identify disparities in the event sizes reported by regional network catalogs. Joint use of multiple phases allows for the inclusion of more seismic events due to the increase in the number of observations. In some cases, using a single phase allowed us to relocate only 50% of the original reported seismic events within a cluster. Combining shear- and surface-wave phases increased the number of events to above 90% of the original events, allowing us to characterize a broader range of event sizes, source to station distances, and event distributions. This analysis takes a step toward making a fuller characterization of small industrial seismic events observed at local distances.

58 GEOSCIENCES↗
DOE OSTI2023

Testing and Design of Discriminants for Local Seismic Events Recorded during the Redmond Salt Mine Monitoring Experiment

The Redmond Salt Mine (RSM) Monitoring Experiment in Utah was designed to record seismoacoustic data at distances less than 50 km for algorithm testing and development. During the experiment from October 2017 to July 2019, six broadband seismic stations were operating at a time, with three of them having fixed locations for the duration, whereas the three other stations were moved to different locations every one-and-half to two-and-half months. RSM operations consist of nighttime underground blasting several times per week. The RSM is located in proximity to a belt of active seismicity, allowing direct comparison of natural and anthropogenic sources. Using the recorded data set, we built 1373 events with local magnitude (M L ) of -2.4 and lower to 3.3. For 75 blasts (RMEs) from the Redmond Salt Mine and 206 tectonic earthquakes (EQs), both M L and the coda duration magnitude (MC) are well constrained. We used these events to test and design discriminants that separate the RMEs from the EQs and are effective at local distances. The discriminants consist of M L -M C , low-frequency Sg to high-frequency Sg, Pg/Sg phase-amplitude ratios, and Rg/Sg spectral amplitude ratios, as well as different combinations of two or more of these classifiers. The areas under the receiver operating characteristic curves (AUCs) of 0.92–1.0 for M L -M C , low-frequency Sg to high-frequency Sg, and Rg/Sg indicate that these discriminants are very effective. Conversely, the AUC of only 0.57 for Pg/Sg suggests that this discriminant is only slightly better than a random classifier. Among the effective classifiers, Rg/Sg, shows the lowest likelihood of misclassification (4.3%) for the populations. In conclusion, results of joint discriminant analyses suggest that even the arguably ineffective single classifier, like Pg/Sg in this case, can provide some value when used in combination with others.

58 GEOSCIENCES↗
DOE OSTI2024

From Fossil Fuels to Green Mines: Understanding Hydrogen-Shale Interactions for Secure Underground Storage

Hydrogen-powered mining trucks are rapidly gaining traction as a key driver of decarbonization in the mining industry. This surge necessitates a decisive shift towards renewable energy sources, primarily for hydrogen production. However, the inherent intermittency of renewables poses a challenge for continuous operations, demanding efficient storage solutions for hydrogen fuel. Hydrogen, derived from renewables, requires large-scale storage, with underground hydrogen storage (UHS) in depleted oil and gas reservoirs projected to provide this capacity. An impermeable seal (caprock) overlying depleted reservoirs is crucial for preventing leakage and ensuring secure storage. Shale, a potential caprock, has been recognized for its effectiveness in containing natural gas for geological time-periods. This study investigates the impact of hydrogen exposure on the matrix permeability of Marcellus shale, a key factor influencing its sealing capacity. A novel time-resolved approach was employed, measuring matrix permeability after each exposure to understand the dynamic interactions between hydrogen and the shale matrix. Samples were exposed to hydrogen in pressure reactions at realistic reservoir conditions at varying time durations. Preliminary results reveal an initial increase in permeability, while subsequent exposures show a decrease, indicating potential microstructural changes.

08 HYDROGEN↗
DOE OSTI2021

Melt Wire Analyses for the Colorado School of Mines (CSM 16-10584) Irradiation in ATR

PNNL project 74242 involves the analysis of neutron fluence monitors and melt wires irradiated in the Advanced Test Reactor (ATR) at Idaho National Laboratory in accordance with MPO 00236287 and Statement of Work No. 17370, Rev. 0, PNNL Analysis of NSUF Flux and Melt Wire Capsules. This report is for the Colorado School of Mines (CSM 16-10584) experiment which was conducted in position B5 of the ATR. Neutron fluence monitor results were reported in February 2021 in report Neutron Dosimetry for the Colorado School of Mines (CM 16-10584) Irradiation in ATR. This report presents the analyses of the melt wire capsules that were included along with the neutron fluence monitors. Each capsule was identified by the ID stamp on the bottom, then opened to assess the condition of the Pb and Zn-Al wires as well as the Bi powder. Pictures are included to illustrate the results.

11 NUCLEAR FUEL CYCLE AND FUEL MATERIALS↗
DOE OSTI2025

Bacterial Biomining Rare Earth Elements in Abandoned Coal Mine Drainage: Solubilization and Sequestration

Bacteria can be used to biomine rare earth elements (REEs) domestically from abandoned coal-mine drainage (AMD) solids. Pennsylvania has ~11,000 abandoned mines, with ~500 AMD passive remediation systems that precipitate AMD REE rich solids onsite. In passive systems, REEs, co-precipitate with manganese (Mn), accumulating as solids that can produce a valuable leachate when resolubilized. REEs like lanthanum (La) are used in battery technology. Microbial metabolic changes that co-resolubilize Mn and REEs could result in an affordable release process that does not require chemical additives and the select sequestering of REEs like La allow for the selective purification from a mixed REE composition. Currently, the microbial mechanisms that contribute to mass REE resolubilization and selective sequestration are poorly understood. We have isolated bacteria (Bacillus mycoides JR07 and Bacillus pseudomycoides KB7) that solubilize Mn oxide, La oxide, and AMD solids by acidogenesis. We have determined that isolates JR07 and KB7 solubilize the La from AMD PRS solids by their production of organic acids. Preliminary results show methylotrophic bacterial isolate B3 can take up soluble La(III), giving an avenue to purification of La from a rich REE leachate. Determining the microbial metabolism and genes involved in the mass resolubilization of REEs and selective biomining of La(III) is crucial to optimize the biomining of AMD solids. Our work addresses the growing need to develop novel REE recovery methods from domestic sources.

microbiology↗
DOE OSTI2025

Microbial Biomining for the Release and Recovery of Rare Earth Elements in Abandoned Coal Mine Drainage

Microbes can be used for biomining rare earth elements (REEs) from abandoned coal-mine drainage (AMD) solids. Domestically Pennsylvania has ~11,000 abandoned mines, with ~500 AMD passive remediation systems (PRSs) that precipitate REE rich solids. In passive systems, REEs, co-precipitate with manganese (Mn), accumulating as a valuable leachate when resolubilized. REEs like lanthanum (La) are used in battery technology. Microbial metabolism that co-resolubilize Mn and REEs could result in an affordable release process that does not require the addition of hazardous chemical additives. Microbial sequestering of La can be used for selective purification from a mixed REE composition. Currently, the microbial mechanisms that contribute to mass REE resolubilization and selective sequestration are poorly understood. We have isolated bacteria (Bacillus mycoides JR07 and Bacillus pseudomycoides KB7) that solubilize Mn oxide, La oxide, and AMD solids by acidogenesis. Preliminary results show methylotrophic bacterial isolate B3 can take up soluble La, which may have a potential application in the purification of La from a mixed REE leachate. Determining the microbial metabolism and genes involved in the REE resolubilization and selective biomining of La is crucial to optimize the biomining of AMD solids. Our work addresses the growing need to develop novel REE recovery methods from domestic sources.

microbiology↗
DOE OSTI2023

Editorial for Special Issue “Environmentally Sound In Situ Recovery Mining of Uranium”

This Special Issue features seven articles that cover a range of topics pertaining to the environmentally sound in situ recovery mining of uranium (U ISR). The topics include: (1) methods for assessing the potential environmental impacts of future U ISR operations using historical operational records and available geohydrologic, geochemical and climate data in a specific regional setting; (2) laboratory column studies to parameterize a uranium surface complexation model that can be used to predict uranium fate and transport in groundwater; and (3) a field evaluation of both a chemical reductant and a biostimulant to promote reducing geochemical conditions after oxidative mining at a U ISR facility.

54 ENVIRONMENTAL SCIENCES↗
NASA NTRS1971

Remote sensing for mined area reclamation: Application inventory

Applications of aerial remote sensing to coal mined area reclamation are documented, and information concerning available data banks for coal producing areas in the east and midwest is given. A summary of mined area information requirements to which remote sensing methods might contribute is included.

Source record↗
NASA NTRS1972

Determine utility of ERTS-1 to detect and monitor area strip mining and reclamation

There are no author-identified significant results in this report. Analysis of the strip mine records and aerial photos in the test site (five counties in southeastern Ohio) indicate rapidly increasing stripping in the past few years. The mines are large enough to be detected and their gross characteristics observed in the ERTS-1 imagery. Progress in adapting the Bendix ground station to handling ERTS-1 computer compatible tapes is described.

Chase, P. E.↗
NASA NTRS1973

Ecological effects of strip mining in Ohio

The author has identified the following significant results. One result significant as a practical application and for cost benefit analysis is the relative ease with which ERTS-1 will monitor new and unclaimed stripping activities in Southeastern Ohio and in all of Appalachia. Band 5 resolution appears to be better than the often reported 80 meters. The strip mines stand out well enough to be easily identified without other graphic aids. Standing water within the strip mined area stands out in either bands 6 or 7. Areas of several acres are visible. Significant increases in surface extent of water of stripped areas should be detectable on a comparative basis. The degree of reclamation is observable in the imagery in rather gross percentage steps and for areas larger than the bare earth sizes in the table. The gradation in tones in the different bands indicates that probability density imagery using the four bands in CCT data (and statistical processing) is likely to separate degrees of vegetative reclamation.

Chase, P. E.↗
NASA NTRS1973

Fracture mapping and strip mine inventory in the Midwest by using ERTS-1 imagery

Analysis of the ERTS-1 imagery and high-altitude infrared photography indicates that useful fracture data can be obtained in Indiana and Illinois despite a glacial till cover. ERTS MSS bands 5 and 7 have proven most useful for fracture mapping in coal-bearing rocks in this region. Preliminary results suggest a reasonable correlation between image-detected fractures and mine roof-fall accidents. Information related to surface mined land, such as disturbed area, water bodies, and kind of reclamation, has been derived from the analysis of ERTS imagery.

Wier, C. W.↗
NASA NTRS1973

Geological and geochemical studies in the Robinson Mining District, White Pine County, Nevada, using Skylab S190A imagery

The author has identified the following significant results. In the Robinson mining district which included the Ruth porphyry copper mines, three large positive aeromagnetic anomalies exist over a Tertiary volcanic area north west of Ruth. Prior studies of this area have suggested that the volcanics may or may not be the cause of the anomalies. Skylab Sl90A imagery, however, indicates possible outcrops in the volcanic area of the Paleozoic sediments. Field studies or ground truth verify the existence of these inliers suggesting that the magnetic anomaly may be the result of a buried intrusive body for which potential mineralization has been covered by the post-ore blanket of volcanics. The area is being mapped in more detail and samples of mercury-bearing soil-gas area being collected within and outside the area.

Jensen, M. L.↗
NASA NTRS1974

Relationship of roof falls in underground coal mines to fractures mapped on ERTS-1 imagery

ERTS imagery is of unique value for mapping of certain fractures that are not identifiable on aircraft imagery. Because color infrared and ERTS imagery complement each other both sources of data were used to map fractures in western Indiana and eastern Illinois. In the Kings Station Mine, Gibson County, Indiana, most roof falls reported had occurred in areas where mapped fractures were closely spaced and intersecting. Using this information as a basis for extrapolation, roof fall hazard maps were prepared for other mine sites. Various coal resources programs related to energy and environment also were conducted.

Wier, C. E.↗